USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=19 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 70 GLN : amide:sc= 0.437 K(o=1.5,f=0.12) USER MOD Set 1.2: A 74 ASN : amide:sc= 1.03 K(o=1.5,f=-0.53) USER MOD Set 2.1: A 56 THR OG1 : rot 91:sc= 1.25 USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 43 HIS : no HD1:sc=-0.00266 X(o=-0.37,f=-0.35) USER MOD Set 3.2: A 47 CYS SG : rot 83:sc= -0.37 USER MOD Single : A 8 GLN : amide:sc= -0.98 X(o=-0.98,f=-0.98) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 70:sc= 1.22 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.297 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 161:sc= -0.123 (180deg=-1.09) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.223) USER MOD Single : A 27 GLN : amide:sc= -0.0506 K(o=-0.051,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0214) USER MOD Single : A 36 SER OG : rot 35:sc= 0.845 USER MOD Single : A 40 GLN : amide:sc= -1.01 X(o=-1,f=-0.62) USER MOD Single : A 44 THR OG1 : rot 60:sc= 0.512 USER MOD Single : A 46 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.91) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.303 K(o=0.3,f=-1.7!) USER MOD Single : A 58 CYS SG : rot 76:sc= -0.457! USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.17) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.048) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= -0.0329 (180deg=-0.198) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -12:sc= 1.26 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-2) 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 X(o=0,f=0) 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 -13.349 -8.719 -3.288 1.00 13.12 N ATOM 60 CA LEU A 6 -12.981 -8.920 -1.892 1.00 4.11 C ATOM 61 C LEU A 6 -14.207 -9.521 -1.215 1.00 45.43 C ATOM 62 O LEU A 6 -15.123 -8.787 -0.848 1.00 60.30 O ATOM 63 CB LEU A 6 -12.543 -7.592 -1.233 1.00 72.24 C ATOM 64 CG LEU A 6 -11.045 -7.258 -1.400 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.568 -7.334 -2.853 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.752 -5.856 -0.851 1.00 61.12 C ATOM 0 HA LEU A 6 -12.124 -9.587 -1.795 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.133 -6.779 -1.656 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.776 -7.635 -0.169 1.00 72.24 H new ATOM 0 HG LEU A 6 -10.499 -8.014 -0.836 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.507 -7.088 -2.901 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -10.724 -8.343 -3.235 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -11.132 -6.625 -3.459 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.693 -5.631 -0.974 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -11.345 -5.121 -1.396 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -11.010 -5.818 0.207 1.00 61.12 H new ATOM 78 N ASP A 7 -14.251 -10.853 -1.111 1.00 75.13 N ATOM 79 CA ASP A 7 -15.236 -11.590 -0.303 1.00 1.34 C ATOM 80 C ASP A 7 -15.311 -10.983 1.098 1.00 50.11 C ATOM 81 O ASP A 7 -14.355 -10.354 1.535 1.00 25.20 O ATOM 82 CB ASP A 7 -14.809 -13.055 -0.155 1.00 22.15 C ATOM 83 CG ASP A 7 -15.906 -13.947 0.419 1.00 51.25 C ATOM 84 OD1 ASP A 7 -16.028 -13.992 1.659 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -16.582 -14.646 -0.369 1.00 12.54 O ATOM 0 H ASP A 7 -13.592 -11.463 -1.594 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.203 -11.528 -0.802 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.510 -13.440 -1.130 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -13.932 -13.108 0.491 1.00 22.15 H new ATOM 90 N GLN A 8 -16.369 -11.241 1.859 1.00 35.03 N ATOM 91 CA GLN A 8 -16.445 -10.863 3.262 1.00 31.00 C ATOM 92 C GLN A 8 -15.236 -11.374 4.054 1.00 15.44 C ATOM 93 O GLN A 8 -14.686 -10.618 4.859 1.00 42.40 O ATOM 94 CB GLN A 8 -17.728 -11.421 3.877 1.00 11.40 C ATOM 95 CG GLN A 8 -19.001 -10.683 3.428 1.00 73.15 C ATOM 96 CD GLN A 8 -19.451 -11.140 2.044 1.00 5.35 C ATOM 97 OE1 GLN A 8 -19.905 -12.268 1.890 1.00 73.41 O ATOM 98 NE2 GLN A 8 -19.309 -10.321 1.017 1.00 23.44 N ATOM 0 H GLN A 8 -17.201 -11.721 1.516 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.447 -9.774 3.313 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -17.818 -12.475 3.614 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.652 -11.369 4.963 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -19.799 -10.860 4.149 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -18.815 -9.609 3.416 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -18.930 -9.385 1.160 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -19.579 -10.625 0.081 1.00 23.44 H new ATOM 107 N LYS A 9 -14.815 -12.628 3.837 1.00 54.03 N ATOM 108 CA LYS A 9 -13.621 -13.188 4.476 1.00 31.31 C ATOM 109 C LYS A 9 -12.411 -12.336 4.090 1.00 71.23 C ATOM 110 O LYS A 9 -11.711 -11.811 4.957 1.00 2.24 O ATOM 111 CB LYS A 9 -13.420 -14.672 4.091 1.00 54.31 C ATOM 112 CG LYS A 9 -14.647 -15.557 4.384 1.00 72.00 C ATOM 113 CD LYS A 9 -14.405 -17.055 4.148 1.00 23.34 C ATOM 114 CE LYS A 9 -13.734 -17.708 5.365 1.00 1.24 C ATOM 115 NZ LYS A 9 -13.580 -19.174 5.232 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.293 -13.280 3.215 1.00 54.03 H new ATOM 0 HA LYS A 9 -13.744 -13.164 5.559 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.183 -14.734 3.029 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.560 -15.066 4.633 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -14.952 -15.407 5.420 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.477 -15.230 3.757 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -15.353 -17.551 3.943 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -13.777 -17.190 3.267 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -12.752 -17.259 5.515 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -14.323 -17.491 6.256 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -13.121 -19.554 6.085 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.516 -19.612 5.118 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -12.994 -19.387 4.400 1.00 21.22 H new ATOM 129 N THR A 10 -12.181 -12.187 2.789 1.00 74.25 N ATOM 130 CA THR A 10 -11.063 -11.458 2.219 1.00 13.54 C ATOM 131 C THR A 10 -11.018 -10.014 2.731 1.00 52.52 C ATOM 132 O THR A 10 -9.993 -9.611 3.269 1.00 61.23 O ATOM 133 CB THR A 10 -11.139 -11.588 0.691 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.106 -12.968 0.371 1.00 34.44 O ATOM 135 CG2 THR A 10 -9.961 -10.911 -0.007 1.00 21.15 C ATOM 0 H THR A 10 -12.794 -12.588 2.079 1.00 74.25 H new ATOM 0 HA THR A 10 -10.113 -11.885 2.541 1.00 13.54 H new ATOM 0 HB THR A 10 -12.055 -11.104 0.352 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.155 -13.080 -0.601 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.060 -11.030 -1.086 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.952 -9.850 0.241 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.029 -11.369 0.325 1.00 21.15 H new ATOM 143 N PHE A 11 -12.100 -9.245 2.592 1.00 2.31 N ATOM 144 CA PHE A 11 -12.251 -7.870 3.056 1.00 54.43 C ATOM 145 C PHE A 11 -11.915 -7.742 4.538 1.00 2.41 C ATOM 146 O PHE A 11 -11.162 -6.850 4.926 1.00 32.02 O ATOM 147 CB PHE A 11 -13.691 -7.406 2.799 1.00 25.32 C ATOM 148 CG PHE A 11 -13.931 -5.923 3.024 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.575 -4.997 2.022 1.00 71.24 C ATOM 150 CD2 PHE A 11 -14.533 -5.471 4.215 1.00 32.05 C ATOM 151 CE1 PHE A 11 -13.830 -3.625 2.206 1.00 72.32 C ATOM 152 CE2 PHE A 11 -14.810 -4.101 4.384 1.00 20.31 C ATOM 153 CZ PHE A 11 -14.468 -3.178 3.378 1.00 65.24 C ATOM 0 H PHE A 11 -12.940 -9.587 2.126 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.554 -7.239 2.504 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -13.959 -7.652 1.771 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.361 -7.971 3.447 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.106 -5.341 1.112 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -14.781 -6.174 4.996 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -13.536 -2.915 1.447 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -15.287 -3.757 5.290 1.00 20.31 H new ATOM 0 HZ PHE A 11 -14.695 -2.130 3.505 1.00 65.24 H new ATOM 163 N SER A 12 -12.463 -8.631 5.366 1.00 52.41 N ATOM 164 CA SER A 12 -12.214 -8.617 6.798 1.00 3.30 C ATOM 165 C SER A 12 -10.723 -8.820 7.101 1.00 51.11 C ATOM 166 O SER A 12 -10.143 -8.046 7.868 1.00 3.04 O ATOM 167 CB SER A 12 -13.085 -9.669 7.487 1.00 34.53 C ATOM 168 OG SER A 12 -14.459 -9.446 7.210 1.00 33.32 O ATOM 0 H SER A 12 -13.089 -9.376 5.060 1.00 52.41 H new ATOM 0 HA SER A 12 -12.486 -7.639 7.196 1.00 3.30 H new ATOM 0 HB2 SER A 12 -12.798 -10.664 7.148 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.917 -9.638 8.564 1.00 34.53 H new ATOM 0 HG SER A 12 -14.640 -9.648 6.268 1.00 33.32 H new ATOM 174 N ILE A 13 -10.079 -9.821 6.495 1.00 45.32 N ATOM 175 CA ILE A 13 -8.646 -10.076 6.656 1.00 14.50 C ATOM 176 C ILE A 13 -7.852 -8.879 6.127 1.00 34.12 C ATOM 177 O ILE A 13 -6.923 -8.419 6.789 1.00 34.35 O ATOM 178 CB ILE A 13 -8.268 -11.411 5.983 1.00 15.23 C ATOM 179 CG1 ILE A 13 -8.902 -12.581 6.770 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.739 -11.608 5.910 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.021 -13.852 5.932 1.00 3.22 C ATOM 0 H ILE A 13 -10.543 -10.483 5.873 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.392 -10.183 7.711 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.649 -11.390 4.962 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -8.300 -12.788 7.655 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -9.891 -12.286 7.119 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.517 -12.561 5.429 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.295 -10.798 5.332 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.323 -11.605 6.918 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -9.472 -14.642 6.532 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -9.646 -13.656 5.061 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.030 -14.166 5.605 1.00 3.22 H new ATOM 193 N CYS A 14 -8.230 -8.328 4.974 1.00 42.43 N ATOM 194 CA CYS A 14 -7.657 -7.113 4.427 1.00 71.02 C ATOM 195 C CYS A 14 -7.681 -5.983 5.460 1.00 75.44 C ATOM 196 O CYS A 14 -6.667 -5.295 5.620 1.00 53.24 O ATOM 197 CB CYS A 14 -8.407 -6.710 3.149 1.00 61.45 C ATOM 198 SG CYS A 14 -7.685 -7.515 1.699 1.00 44.54 S ATOM 0 H CYS A 14 -8.961 -8.729 4.386 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.614 -7.302 4.172 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -9.458 -6.984 3.237 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -8.369 -5.628 3.026 1.00 61.45 H new ATOM 0 HG CYS A 14 -8.340 -7.159 0.634 1.00 44.54 H new ATOM 204 N LYS A 15 -8.797 -5.791 6.171 1.00 61.20 N ATOM 205 CA LYS A 15 -8.893 -4.760 7.197 1.00 71.41 C ATOM 206 C LYS A 15 -7.974 -5.058 8.379 1.00 64.32 C ATOM 207 O LYS A 15 -7.405 -4.120 8.935 1.00 53.44 O ATOM 208 CB LYS A 15 -10.347 -4.570 7.673 1.00 2.12 C ATOM 209 CG LYS A 15 -10.635 -3.067 7.764 1.00 72.43 C ATOM 210 CD LYS A 15 -11.774 -2.696 8.713 1.00 54.23 C ATOM 211 CE LYS A 15 -11.891 -1.168 8.654 1.00 22.04 C ATOM 212 NZ LYS A 15 -12.603 -0.603 9.809 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.647 -6.341 6.050 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.563 -3.826 6.742 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -11.039 -5.047 6.979 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.493 -5.043 8.644 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -9.729 -2.555 8.087 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.873 -2.695 6.768 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.706 -3.171 8.408 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -11.562 -3.032 9.728 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -10.892 -0.734 8.602 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -12.411 -0.884 7.739 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -12.651 0.432 9.715 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -13.566 -0.993 9.847 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -12.096 -0.848 10.683 1.00 53.52 H new ATOM 226 N GLU A 16 -7.794 -6.330 8.750 1.00 32.01 N ATOM 227 CA GLU A 16 -6.851 -6.713 9.799 1.00 34.41 C ATOM 228 C GLU A 16 -5.423 -6.357 9.391 1.00 35.03 C ATOM 229 O GLU A 16 -4.657 -5.843 10.208 1.00 3.44 O ATOM 230 CB GLU A 16 -6.922 -8.212 10.133 1.00 11.31 C ATOM 231 CG GLU A 16 -8.279 -8.665 10.680 1.00 11.31 C ATOM 232 CD GLU A 16 -8.139 -9.550 11.918 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.523 -9.098 12.916 1.00 73.22 O ATOM 234 OE2 GLU A 16 -8.666 -10.683 11.914 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.295 -7.115 8.334 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.134 -6.155 10.691 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -6.695 -8.785 9.234 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.150 -8.448 10.865 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -8.879 -7.789 10.928 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.817 -9.211 9.905 1.00 11.31 H new ATOM 241 N ARG A 17 -5.040 -6.626 8.137 1.00 63.14 N ATOM 242 CA ARG A 17 -3.705 -6.270 7.664 1.00 23.14 C ATOM 243 C ARG A 17 -3.545 -4.750 7.603 1.00 53.13 C ATOM 244 O ARG A 17 -2.474 -4.230 7.902 1.00 22.52 O ATOM 245 CB ARG A 17 -3.371 -6.989 6.344 1.00 51.25 C ATOM 246 CG ARG A 17 -3.513 -8.533 6.365 1.00 12.51 C ATOM 247 CD ARG A 17 -2.499 -9.360 7.184 1.00 23.13 C ATOM 248 NE ARG A 17 -2.434 -8.998 8.615 1.00 4.42 N ATOM 249 CZ ARG A 17 -3.250 -9.434 9.582 1.00 41.23 C ATOM 250 NH1 ARG A 17 -4.199 -10.323 9.299 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -3.135 -8.969 10.817 1.00 54.34 N ATOM 0 H ARG A 17 -5.630 -7.083 7.442 1.00 63.14 H new ATOM 0 HA ARG A 17 -2.964 -6.624 8.381 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.019 -6.593 5.562 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.347 -6.740 6.065 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -4.510 -8.768 6.739 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -3.469 -8.883 5.334 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -2.757 -10.416 7.100 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -1.509 -9.237 6.745 1.00 23.13 H new ATOM 0 HE ARG A 17 -1.695 -8.353 8.893 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -4.304 -10.671 8.346 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -4.822 -10.656 10.035 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.421 -8.274 11.036 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -3.760 -9.306 11.549 1.00 54.34 H new ATOM 265 N MET A 18 -4.615 -4.001 7.345 1.00 71.35 N ATOM 266 CA MET A 18 -4.622 -2.543 7.426 1.00 21.12 C ATOM 267 C MET A 18 -4.947 -2.046 8.847 1.00 10.24 C ATOM 268 O MET A 18 -5.805 -1.185 9.047 1.00 60.01 O ATOM 269 CB MET A 18 -5.542 -1.978 6.331 1.00 35.41 C ATOM 270 CG MET A 18 -4.722 -1.633 5.081 1.00 63.51 C ATOM 271 SD MET A 18 -4.008 -3.059 4.230 1.00 62.02 S ATOM 272 CE MET A 18 -2.303 -2.505 4.110 1.00 72.55 C ATOM 0 H MET A 18 -5.514 -4.396 7.070 1.00 71.35 H new ATOM 0 HA MET A 18 -3.620 -2.159 7.233 1.00 21.12 H new ATOM 0 HB2 MET A 18 -6.313 -2.707 6.080 1.00 35.41 H new ATOM 0 HB3 MET A 18 -6.053 -1.088 6.698 1.00 35.41 H new ATOM 0 HG2 MET A 18 -5.360 -1.092 4.382 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.916 -0.956 5.367 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.654 -3.362 3.928 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.208 -1.796 3.287 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.011 -2.021 5.042 1.00 72.55 H new ATOM 282 N ARG A 19 -4.194 -2.531 9.836 1.00 70.53 N ATOM 283 CA ARG A 19 -4.221 -2.056 11.221 1.00 32.31 C ATOM 284 C ARG A 19 -3.011 -1.157 11.493 1.00 1.35 C ATOM 285 O ARG A 19 -3.235 0.023 11.775 1.00 33.22 O ATOM 286 CB ARG A 19 -4.310 -3.239 12.209 1.00 55.31 C ATOM 287 CG ARG A 19 -5.751 -3.680 12.499 1.00 70.22 C ATOM 288 CD ARG A 19 -6.422 -2.715 13.488 1.00 11.33 C ATOM 289 NE ARG A 19 -7.705 -3.203 14.012 1.00 22.22 N ATOM 290 CZ ARG A 19 -7.883 -4.105 14.984 1.00 44.22 C ATOM 291 NH1 ARG A 19 -6.889 -4.873 15.429 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -9.089 -4.273 15.502 1.00 44.53 N ATOM 0 H ARG A 19 -3.527 -3.289 9.691 1.00 70.53 H new ATOM 0 HA ARG A 19 -5.117 -1.455 11.374 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.753 -4.084 11.804 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.828 -2.959 13.145 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -6.321 -3.713 11.571 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.753 -4.690 12.910 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.744 -2.535 14.322 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -6.582 -1.756 12.994 1.00 11.33 H new ATOM 0 HE ARG A 19 -8.548 -2.813 13.591 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -5.956 -4.783 15.027 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -7.061 -5.550 16.172 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -9.873 -3.717 15.160 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -9.235 -4.958 16.243 1.00 44.53 H new ATOM 306 N PRO A 20 -1.755 -1.640 11.384 1.00 55.23 N ATOM 307 CA PRO A 20 -0.580 -0.879 11.803 1.00 5.31 C ATOM 308 C PRO A 20 -0.337 0.378 10.971 1.00 5.24 C ATOM 309 O PRO A 20 0.346 1.289 11.426 1.00 22.40 O ATOM 310 CB PRO A 20 0.599 -1.849 11.683 1.00 24.21 C ATOM 311 CG PRO A 20 0.138 -2.888 10.674 1.00 41.52 C ATOM 312 CD PRO A 20 -1.341 -2.986 11.007 1.00 62.13 C ATOM 0 HA PRO A 20 -0.719 -0.510 12.819 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.500 -1.338 11.343 1.00 24.21 H new ATOM 0 HB3 PRO A 20 0.836 -2.307 12.644 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.308 -2.567 9.646 1.00 41.52 H new ATOM 0 HG3 PRO A 20 0.652 -3.841 10.800 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.911 -3.345 10.150 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -1.512 -3.690 11.821 1.00 62.13 H new ATOM 320 N VAL A 21 -0.910 0.468 9.769 1.00 53.43 N ATOM 321 CA VAL A 21 -0.699 1.578 8.843 1.00 65.33 C ATOM 322 C VAL A 21 -1.924 2.499 8.754 1.00 34.13 C ATOM 323 O VAL A 21 -2.007 3.313 7.838 1.00 65.24 O ATOM 324 CB VAL A 21 -0.217 1.039 7.479 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.203 0.478 7.615 1.00 52.03 C ATOM 326 CG2 VAL A 21 -1.138 -0.037 6.876 1.00 41.14 C ATOM 0 H VAL A 21 -1.545 -0.243 9.407 1.00 53.43 H new ATOM 0 HA VAL A 21 0.094 2.218 9.230 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.236 1.885 6.793 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.538 0.099 6.650 1.00 52.03 H new ATOM 0 HG12 VAL A 21 1.876 1.268 7.948 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.206 -0.332 8.344 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.734 -0.367 5.919 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -1.199 -0.887 7.556 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -2.134 0.379 6.725 1.00 41.14 H new ATOM 336 N LYS A 22 -2.894 2.414 9.679 1.00 4.01 N ATOM 337 CA LYS A 22 -4.076 3.282 9.625 1.00 52.15 C ATOM 338 C LYS A 22 -3.734 4.770 9.567 1.00 32.24 C ATOM 339 O LYS A 22 -4.462 5.500 8.892 1.00 35.14 O ATOM 340 CB LYS A 22 -5.020 3.056 10.814 1.00 14.31 C ATOM 341 CG LYS A 22 -6.055 1.943 10.599 1.00 51.24 C ATOM 342 CD LYS A 22 -7.336 2.289 11.373 1.00 4.42 C ATOM 343 CE LYS A 22 -8.233 3.217 10.535 1.00 30.13 C ATOM 344 NZ LYS A 22 -9.167 3.997 11.369 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.882 1.761 10.463 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.573 3.000 8.697 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.424 2.816 11.695 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.545 3.987 11.028 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.275 1.835 9.537 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -5.656 0.988 10.941 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -7.877 1.376 11.621 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.080 2.773 12.315 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -7.608 3.899 9.959 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -8.799 2.622 9.819 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -9.750 4.607 10.760 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -9.783 3.349 11.900 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -8.628 4.586 12.035 1.00 62.13 H new ATOM 358 N ALA A 23 -2.675 5.215 10.251 1.00 3.10 N ATOM 359 CA ALA A 23 -2.282 6.611 10.201 1.00 60.23 C ATOM 360 C ALA A 23 -1.986 6.995 8.760 1.00 22.25 C ATOM 361 O ALA A 23 -2.557 7.964 8.267 1.00 61.41 O ATOM 362 CB ALA A 23 -1.071 6.914 11.079 1.00 13.54 C ATOM 0 H ALA A 23 -2.084 4.627 10.839 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.111 7.201 10.592 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -0.822 7.972 11.003 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.303 6.670 12.116 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.222 6.317 10.747 1.00 13.54 H new ATOM 368 N ALA A 24 -1.133 6.204 8.104 1.00 33.30 N ATOM 369 CA ALA A 24 -0.714 6.401 6.731 1.00 54.32 C ATOM 370 C ALA A 24 -1.905 6.330 5.776 1.00 25.33 C ATOM 371 O ALA A 24 -1.978 7.146 4.865 1.00 41.25 O ATOM 372 CB ALA A 24 0.361 5.374 6.367 1.00 1.31 C ATOM 0 H ALA A 24 -0.706 5.385 8.536 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.286 7.399 6.632 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.674 5.525 5.334 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.219 5.496 7.027 1.00 1.31 H new ATOM 0 HB3 ALA A 24 -0.044 4.368 6.480 1.00 1.31 H new ATOM 378 N LEU A 25 -2.853 5.407 5.999 1.00 62.25 N ATOM 379 CA LEU A 25 -4.078 5.339 5.204 1.00 63.42 C ATOM 380 C LEU A 25 -4.791 6.681 5.242 1.00 64.02 C ATOM 381 O LEU A 25 -5.081 7.234 4.185 1.00 34.33 O ATOM 382 CB LEU A 25 -5.069 4.261 5.676 1.00 1.32 C ATOM 383 CG LEU A 25 -4.629 2.805 5.504 1.00 2.24 C ATOM 384 CD1 LEU A 25 -5.742 1.899 6.038 1.00 2.21 C ATOM 385 CD2 LEU A 25 -4.360 2.424 4.049 1.00 60.44 C ATOM 0 H LEU A 25 -2.789 4.696 6.728 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.761 5.076 4.195 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -5.280 4.431 6.732 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -6.006 4.400 5.137 1.00 1.32 H new ATOM 0 HG LEU A 25 -3.695 2.682 6.052 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -5.448 0.856 5.924 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -5.913 2.115 7.093 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.659 2.080 5.478 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -4.052 1.380 3.997 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -5.268 2.564 3.462 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -3.568 3.056 3.648 1.00 60.44 H new ATOM 397 N LYS A 26 -5.086 7.207 6.438 1.00 54.00 N ATOM 398 CA LYS A 26 -5.772 8.490 6.497 1.00 74.52 C ATOM 399 C LYS A 26 -4.890 9.590 5.908 1.00 13.22 C ATOM 400 O LYS A 26 -5.412 10.414 5.177 1.00 65.43 O ATOM 401 CB LYS A 26 -6.277 8.841 7.907 1.00 21.25 C ATOM 402 CG LYS A 26 -7.813 8.767 7.981 1.00 45.03 C ATOM 403 CD LYS A 26 -8.453 9.543 9.144 1.00 54.44 C ATOM 404 CE LYS A 26 -8.075 9.075 10.556 1.00 30.32 C ATOM 405 NZ LYS A 26 -6.802 9.654 11.029 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.869 6.781 7.339 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.670 8.407 5.885 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -5.842 8.155 8.634 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -5.945 9.844 8.176 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -8.224 9.144 7.045 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.107 7.720 8.059 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.181 10.594 9.046 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -9.537 9.484 9.041 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -8.872 9.346 11.249 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -8.000 7.988 10.566 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -6.735 9.548 12.061 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -6.007 9.159 10.577 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -6.767 10.664 10.782 1.00 3.34 H new ATOM 419 N GLN A 27 -3.580 9.593 6.162 1.00 44.31 N ATOM 420 CA GLN A 27 -2.668 10.609 5.627 1.00 45.20 C ATOM 421 C GLN A 27 -2.694 10.685 4.093 1.00 75.11 C ATOM 422 O GLN A 27 -2.484 11.766 3.547 1.00 3.23 O ATOM 423 CB GLN A 27 -1.233 10.378 6.094 1.00 63.33 C ATOM 424 CG GLN A 27 -1.035 10.749 7.567 1.00 62.13 C ATOM 425 CD GLN A 27 -0.872 12.241 7.872 1.00 71.01 C ATOM 426 OE1 GLN A 27 -0.647 13.097 7.024 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.978 12.587 9.142 1.00 1.20 N ATOM 0 H GLN A 27 -3.121 8.892 6.744 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.028 11.560 6.019 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -0.969 9.331 5.947 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -0.553 10.967 5.478 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -1.889 10.375 8.132 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.153 10.225 7.937 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -1.165 11.877 9.850 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -0.873 13.564 9.415 1.00 1.20 H new ATOM 436 N LEU A 28 -2.922 9.573 3.387 1.00 32.11 N ATOM 437 CA LEU A 28 -2.995 9.563 1.927 1.00 1.43 C ATOM 438 C LEU A 28 -4.318 10.140 1.404 1.00 13.42 C ATOM 439 O LEU A 28 -4.430 10.343 0.199 1.00 2.11 O ATOM 440 CB LEU A 28 -2.778 8.131 1.385 1.00 33.02 C ATOM 441 CG LEU A 28 -1.374 7.908 0.797 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.286 7.928 1.876 1.00 34.30 C ATOM 443 CD2 LEU A 28 -1.336 6.562 0.062 1.00 62.12 C ATOM 0 H LEU A 28 -3.061 8.657 3.813 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.197 10.209 1.561 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -2.944 7.416 2.191 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.523 7.924 0.617 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.172 8.726 0.106 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.688 7.766 1.414 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -0.292 8.894 2.381 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -0.479 7.138 2.602 1.00 34.30 H new ATOM 0 HD21 LEU A 28 -0.342 6.403 -0.355 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.569 5.759 0.761 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -2.071 6.566 -0.743 1.00 62.12 H new ATOM 455 N ASP A 29 -5.313 10.396 2.257 1.00 4.35 N ATOM 456 CA ASP A 29 -6.673 10.829 1.917 1.00 23.20 C ATOM 457 C ASP A 29 -6.929 12.220 2.505 1.00 70.54 C ATOM 458 O ASP A 29 -7.134 13.195 1.775 1.00 54.23 O ATOM 459 CB ASP A 29 -7.658 9.773 2.454 1.00 44.14 C ATOM 460 CG ASP A 29 -9.056 10.321 2.751 1.00 22.52 C ATOM 461 OD1 ASP A 29 -9.681 10.913 1.849 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -9.505 10.156 3.910 1.00 42.44 O ATOM 0 H ASP A 29 -5.184 10.301 3.264 1.00 4.35 H new ATOM 0 HA ASP A 29 -6.808 10.910 0.838 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -7.742 8.966 1.726 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.248 9.339 3.366 1.00 44.14 H new ATOM 467 N ARG A 30 -6.830 12.318 3.829 1.00 1.15 N ATOM 468 CA ARG A 30 -6.819 13.532 4.628 1.00 60.23 C ATOM 469 C ARG A 30 -5.418 13.634 5.230 1.00 21.12 C ATOM 470 O ARG A 30 -5.223 13.174 6.363 1.00 42.23 O ATOM 471 CB ARG A 30 -7.915 13.437 5.707 1.00 12.30 C ATOM 472 CG ARG A 30 -9.341 13.579 5.147 1.00 32.22 C ATOM 473 CD ARG A 30 -9.724 15.036 4.863 1.00 61.42 C ATOM 474 NE ARG A 30 -9.881 15.798 6.119 1.00 74.33 N ATOM 475 CZ ARG A 30 -11.017 16.261 6.655 1.00 54.25 C ATOM 476 NH1 ARG A 30 -12.196 16.057 6.073 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -10.945 16.958 7.779 1.00 42.22 N ATOM 0 H ARG A 30 -6.749 11.484 4.411 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.032 14.426 4.042 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -7.828 12.479 6.219 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -7.747 14.213 6.453 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -9.425 13.000 4.227 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -10.050 13.153 5.857 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -8.958 15.503 4.244 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -10.655 15.067 4.296 1.00 61.42 H new ATOM 0 HE ARG A 30 -9.025 15.994 6.638 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -12.249 15.537 5.197 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -13.047 16.421 6.503 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -10.039 17.130 8.215 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -11.795 17.322 8.209 1.00 42.22 H new ATOM 491 N PRO A 31 -4.429 14.195 4.517 1.00 42.22 N ATOM 492 CA PRO A 31 -3.132 14.482 5.112 1.00 54.35 C ATOM 493 C PRO A 31 -3.310 15.434 6.291 1.00 4.11 C ATOM 494 O PRO A 31 -4.339 16.109 6.412 1.00 74.21 O ATOM 495 CB PRO A 31 -2.270 15.076 3.994 1.00 32.13 C ATOM 496 CG PRO A 31 -3.288 15.632 3.007 1.00 42.02 C ATOM 497 CD PRO A 31 -4.470 14.675 3.145 1.00 44.54 C ATOM 0 HA PRO A 31 -2.646 13.592 5.512 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -1.610 15.857 4.370 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -1.637 14.319 3.532 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -3.569 16.656 3.253 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -2.897 15.644 1.990 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.412 15.183 2.936 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -4.390 13.849 2.439 1.00 44.54 H new ATOM 505 N GLU A 32 -2.316 15.501 7.171 1.00 1.13 N ATOM 506 CA GLU A 32 -2.270 16.605 8.115 1.00 30.44 C ATOM 507 C GLU A 32 -1.937 17.897 7.363 1.00 4.33 C ATOM 508 O GLU A 32 -1.481 17.879 6.216 1.00 30.13 O ATOM 509 CB GLU A 32 -1.273 16.332 9.243 1.00 33.11 C ATOM 510 CG GLU A 32 -1.958 16.230 10.612 1.00 14.44 C ATOM 511 CD GLU A 32 -2.757 14.934 10.761 1.00 31.31 C ATOM 512 OE1 GLU A 32 -3.878 14.831 10.213 1.00 23.13 O1- ATOM 513 OE2 GLU A 32 -2.236 13.982 11.388 1.00 41.22 O ATOM 0 H GLU A 32 -1.555 14.826 7.249 1.00 1.13 H new ATOM 0 HA GLU A 32 -3.247 16.715 8.586 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -0.739 15.405 9.036 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -0.530 17.129 9.269 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -1.205 16.284 11.398 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -2.623 17.083 10.749 1.00 14.44 H new ATOM 520 N LYS A 33 -2.170 19.034 8.015 1.00 52.24 N ATOM 521 CA LYS A 33 -2.079 20.347 7.407 1.00 32.14 C ATOM 522 C LYS A 33 -1.522 21.409 8.354 1.00 2.41 C ATOM 523 O LYS A 33 -1.729 22.600 8.116 1.00 0.40 O ATOM 524 CB LYS A 33 -3.444 20.699 6.790 1.00 62.42 C ATOM 525 CG LYS A 33 -4.615 20.786 7.778 1.00 63.41 C ATOM 526 CD LYS A 33 -5.875 21.368 7.117 1.00 51.51 C ATOM 527 CE LYS A 33 -7.091 21.137 8.019 1.00 43.22 C ATOM 528 NZ LYS A 33 -7.585 19.746 7.916 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.432 19.062 9.000 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.342 20.324 6.604 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -3.354 21.656 6.275 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -3.685 19.952 6.034 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -4.835 19.793 8.170 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -4.329 21.407 8.627 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -5.742 22.435 6.937 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -6.037 20.899 6.147 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -6.825 21.354 9.053 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -7.887 21.829 7.743 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -8.476 19.654 8.445 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -7.749 19.509 6.917 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -6.877 19.096 8.314 1.00 43.21 H new ATOM 542 N GLY A 34 -0.838 20.992 9.418 1.00 62.23 N ATOM 543 CA GLY A 34 -0.088 21.869 10.302 1.00 43.33 C ATOM 544 C GLY A 34 1.040 21.149 11.013 1.00 1.12 C ATOM 545 O GLY A 34 1.328 21.457 12.163 1.00 35.04 O ATOM 0 H GLY A 34 -0.792 20.011 9.692 1.00 62.23 H new ATOM 0 HA2 GLY A 34 0.321 22.698 9.725 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.764 22.299 11.041 1.00 43.33 H new ATOM 549 N LEU A 35 1.673 20.191 10.343 1.00 20.30 N ATOM 550 CA LEU A 35 2.975 19.695 10.788 1.00 75.01 C ATOM 551 C LEU A 35 3.940 20.838 10.526 1.00 50.32 C ATOM 552 O LEU A 35 4.157 21.634 11.435 1.00 62.14 O ATOM 553 CB LEU A 35 3.362 18.369 10.111 1.00 30.55 C ATOM 554 CG LEU A 35 3.029 17.147 10.983 1.00 75.10 C ATOM 555 CD1 LEU A 35 1.570 17.155 11.451 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.289 15.868 10.187 1.00 10.10 C ATOM 0 H LEU A 35 1.312 19.746 9.499 1.00 20.30 H new ATOM 0 HA LEU A 35 2.979 19.430 11.845 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.840 18.285 9.158 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.429 18.375 9.890 1.00 30.55 H new ATOM 0 HG LEU A 35 3.667 17.188 11.866 1.00 75.10 H new ATOM 0 HD11 LEU A 35 1.380 16.274 12.064 1.00 74.41 H new ATOM 0 HD12 LEU A 35 1.381 18.053 12.039 1.00 74.41 H new ATOM 0 HD13 LEU A 35 0.910 17.144 10.584 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.053 15.001 10.804 1.00 10.10 H new ATOM 0 HD22 LEU A 35 2.662 15.860 9.296 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.338 15.829 9.893 1.00 10.10 H new ATOM 568 N SER A 36 4.396 20.975 9.283 1.00 13.30 N ATOM 569 CA SER A 36 4.732 22.206 8.613 1.00 21.20 C ATOM 570 C SER A 36 4.716 21.898 7.104 1.00 65.31 C ATOM 571 O SER A 36 4.450 20.763 6.685 1.00 60.15 O ATOM 572 CB SER A 36 6.118 22.672 9.039 1.00 50.44 C ATOM 573 OG SER A 36 6.156 23.284 10.307 1.00 62.23 O ATOM 0 H SER A 36 4.547 20.163 8.684 1.00 13.30 H new ATOM 0 HA SER A 36 4.026 22.998 8.862 1.00 21.20 H new ATOM 0 HB2 SER A 36 6.793 21.816 9.041 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.497 23.375 8.297 1.00 50.44 H new ATOM 0 HG SER A 36 5.506 22.851 10.899 1.00 62.23 H new ATOM 579 N GLU A 37 4.968 22.914 6.280 1.00 43.12 N ATOM 580 CA GLU A 37 4.987 22.855 4.824 1.00 23.33 C ATOM 581 C GLU A 37 5.744 21.628 4.301 1.00 0.42 C ATOM 582 O GLU A 37 5.154 20.773 3.639 1.00 53.05 O ATOM 583 CB GLU A 37 5.513 24.179 4.252 1.00 4.24 C ATOM 584 CG GLU A 37 6.796 24.740 4.882 1.00 51.34 C ATOM 585 CD GLU A 37 7.237 26.004 4.157 1.00 10.03 C ATOM 586 OE1 GLU A 37 7.931 25.864 3.122 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 6.840 27.110 4.601 1.00 20.55 O ATOM 0 H GLU A 37 5.175 23.849 6.632 1.00 43.12 H new ATOM 0 HA GLU A 37 3.964 22.727 4.469 1.00 23.33 H new ATOM 0 HB2 GLU A 37 5.689 24.043 3.185 1.00 4.24 H new ATOM 0 HB3 GLU A 37 4.728 24.929 4.352 1.00 4.24 H new ATOM 0 HG2 GLU A 37 6.625 24.959 5.936 1.00 51.34 H new ATOM 0 HG3 GLU A 37 7.588 23.992 4.836 1.00 51.34 H new ATOM 594 N ARG A 38 7.036 21.530 4.602 1.00 21.15 N ATOM 595 CA ARG A 38 7.952 20.555 4.018 1.00 61.30 C ATOM 596 C ARG A 38 7.896 19.209 4.732 1.00 25.54 C ATOM 597 O ARG A 38 8.314 18.204 4.156 1.00 2.34 O ATOM 598 CB ARG A 38 9.350 21.167 4.114 1.00 12.35 C ATOM 599 CG ARG A 38 10.463 20.361 3.440 1.00 63.40 C ATOM 600 CD ARG A 38 11.682 21.259 3.250 1.00 71.42 C ATOM 601 NE ARG A 38 12.846 20.511 2.761 1.00 64.41 N ATOM 602 CZ ARG A 38 14.048 21.047 2.529 1.00 71.50 C ATOM 603 NH1 ARG A 38 14.270 22.342 2.745 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 15.029 20.295 2.050 1.00 51.23 N ATOM 0 H ARG A 38 7.488 22.145 5.279 1.00 21.15 H new ATOM 0 HA ARG A 38 7.674 20.349 2.984 1.00 61.30 H new ATOM 0 HB2 ARG A 38 9.325 22.162 3.670 1.00 12.35 H new ATOM 0 HB3 ARG A 38 9.602 21.294 5.167 1.00 12.35 H new ATOM 0 HG2 ARG A 38 10.724 19.496 4.050 1.00 63.40 H new ATOM 0 HG3 ARG A 38 10.122 19.980 2.477 1.00 63.40 H new ATOM 0 HD2 ARG A 38 11.440 22.054 2.545 1.00 71.42 H new ATOM 0 HD3 ARG A 38 11.931 21.738 4.197 1.00 71.42 H new ATOM 0 HE ARG A 38 12.730 19.513 2.586 1.00 64.41 H new ATOM 0 HH11 ARG A 38 13.518 22.937 3.092 1.00 14.30 H new ATOM 0 HH12 ARG A 38 15.192 22.739 2.564 1.00 14.30 H new ATOM 0 HH21 ARG A 38 14.867 19.306 1.858 1.00 51.23 H new ATOM 0 HH22 ARG A 38 15.946 20.705 1.873 1.00 51.23 H new ATOM 618 N GLU A 39 7.357 19.169 5.953 1.00 34.32 N ATOM 619 CA GLU A 39 7.117 17.911 6.649 1.00 22.23 C ATOM 620 C GLU A 39 6.212 17.049 5.782 1.00 4.10 C ATOM 621 O GLU A 39 6.498 15.879 5.574 1.00 34.05 O ATOM 622 CB GLU A 39 6.442 18.125 8.013 1.00 71.25 C ATOM 623 CG GLU A 39 7.261 18.952 9.004 1.00 31.04 C ATOM 624 CD GLU A 39 8.579 18.275 9.358 1.00 75.22 C ATOM 625 OE1 GLU A 39 8.617 17.431 10.284 1.00 14.54 O1- ATOM 626 OE2 GLU A 39 9.598 18.629 8.727 1.00 73.33 O ATOM 0 H GLU A 39 7.079 19.998 6.478 1.00 34.32 H new ATOM 0 HA GLU A 39 8.079 17.429 6.826 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.482 18.616 7.856 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.233 17.152 8.457 1.00 71.25 H new ATOM 0 HG2 GLU A 39 7.461 19.935 8.578 1.00 31.04 H new ATOM 0 HG3 GLU A 39 6.679 19.111 9.912 1.00 31.04 H new ATOM 633 N GLN A 40 5.134 17.631 5.246 1.00 75.44 N ATOM 634 CA GLN A 40 4.114 16.858 4.544 1.00 33.21 C ATOM 635 C GLN A 40 4.640 16.176 3.284 1.00 45.12 C ATOM 636 O GLN A 40 4.093 15.138 2.916 1.00 73.12 O ATOM 637 CB GLN A 40 2.894 17.719 4.217 1.00 44.22 C ATOM 638 CG GLN A 40 2.028 17.966 5.467 1.00 34.02 C ATOM 639 CD GLN A 40 1.382 16.670 5.964 1.00 3.44 C ATOM 640 OE1 GLN A 40 0.917 15.843 5.190 1.00 24.20 O ATOM 641 NE2 GLN A 40 1.396 16.412 7.254 1.00 2.34 N ATOM 0 H GLN A 40 4.949 18.633 5.287 1.00 75.44 H new ATOM 0 HA GLN A 40 3.813 16.066 5.229 1.00 33.21 H new ATOM 0 HB2 GLN A 40 3.221 18.674 3.805 1.00 44.22 H new ATOM 0 HB3 GLN A 40 2.296 17.228 3.449 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.643 18.395 6.258 1.00 34.02 H new ATOM 0 HG3 GLN A 40 1.252 18.696 5.236 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.781 17.095 7.906 1.00 2.34 H new ATOM 0 HE22 GLN A 40 1.022 15.529 7.602 1.00 2.34 H new ATOM 650 N LEU A 41 5.698 16.703 2.665 1.00 41.12 N ATOM 651 CA LEU A 41 6.351 16.100 1.517 1.00 15.34 C ATOM 652 C LEU A 41 6.893 14.740 1.925 1.00 23.34 C ATOM 653 O LEU A 41 6.539 13.725 1.324 1.00 52.42 O ATOM 654 CB LEU A 41 7.472 17.030 1.010 1.00 21.03 C ATOM 655 CG LEU A 41 7.158 17.673 -0.349 1.00 0.11 C ATOM 656 CD1 LEU A 41 5.910 18.562 -0.286 1.00 22.31 C ATOM 657 CD2 LEU A 41 8.351 18.520 -0.807 1.00 65.33 C ATOM 0 H LEU A 41 6.129 17.580 2.959 1.00 41.12 H new ATOM 0 HA LEU A 41 5.642 15.962 0.700 1.00 15.34 H new ATOM 0 HB2 LEU A 41 7.643 17.816 1.745 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.398 16.461 0.930 1.00 21.03 H new ATOM 0 HG LEU A 41 6.967 16.867 -1.058 1.00 0.11 H new ATOM 0 HD11 LEU A 41 5.723 18.997 -1.268 1.00 22.31 H new ATOM 0 HD12 LEU A 41 5.051 17.962 0.014 1.00 22.31 H new ATOM 0 HD13 LEU A 41 6.068 19.359 0.440 1.00 22.31 H new ATOM 0 HD21 LEU A 41 8.125 18.975 -1.771 1.00 65.33 H new ATOM 0 HD22 LEU A 41 8.545 19.302 -0.073 1.00 65.33 H new ATOM 0 HD23 LEU A 41 9.232 17.886 -0.902 1.00 65.33 H new ATOM 669 N GLU A 42 7.737 14.711 2.958 1.00 33.24 N ATOM 670 CA GLU A 42 8.283 13.453 3.429 1.00 33.03 C ATOM 671 C GLU A 42 7.219 12.619 4.116 1.00 40.42 C ATOM 672 O GLU A 42 7.285 11.401 4.004 1.00 21.43 O ATOM 673 CB GLU A 42 9.548 13.630 4.278 1.00 30.51 C ATOM 674 CG GLU A 42 10.738 13.700 3.315 1.00 14.32 C ATOM 675 CD GLU A 42 12.087 13.629 4.013 1.00 3.02 C ATOM 676 OE1 GLU A 42 12.583 14.654 4.519 1.00 44.20 O ATOM 677 OE2 GLU A 42 12.752 12.574 3.885 1.00 2.14 O1- ATOM 0 H GLU A 42 8.049 15.535 3.473 1.00 33.24 H new ATOM 0 HA GLU A 42 8.609 12.895 2.551 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.485 14.538 4.877 1.00 30.51 H new ATOM 0 HB3 GLU A 42 9.664 12.798 4.972 1.00 30.51 H new ATOM 0 HG2 GLU A 42 10.665 12.881 2.599 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.681 14.628 2.746 1.00 14.32 H new ATOM 684 N HIS A 43 6.190 13.222 4.700 1.00 44.33 N ATOM 685 CA HIS A 43 5.069 12.484 5.234 1.00 44.01 C ATOM 686 C HIS A 43 4.386 11.666 4.142 1.00 54.41 C ATOM 687 O HIS A 43 4.072 10.510 4.407 1.00 14.03 O ATOM 688 CB HIS A 43 4.094 13.408 5.962 1.00 30.04 C ATOM 689 CG HIS A 43 3.638 12.822 7.268 1.00 15.00 C ATOM 690 ND1 HIS A 43 4.338 12.868 8.448 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.516 12.072 7.473 1.00 25.41 C ATOM 692 CE1 HIS A 43 3.673 12.134 9.349 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.546 11.634 8.806 1.00 71.41 N ATOM 0 H HIS A 43 6.116 14.233 4.813 1.00 44.33 H new ATOM 0 HA HIS A 43 5.446 11.779 5.975 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.572 14.371 6.143 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.229 13.596 5.326 1.00 30.04 H new ATOM 0 HD2 HIS A 43 1.748 11.856 6.745 1.00 25.41 H new ATOM 0 HE1 HIS A 43 3.994 11.967 10.366 1.00 13.25 H new ATOM 0 HE2 HIS A 43 1.851 11.051 9.272 1.00 71.41 H new ATOM 701 N THR A 44 4.204 12.200 2.923 1.00 62.13 N ATOM 702 CA THR A 44 3.517 11.424 1.890 1.00 71.14 C ATOM 703 C THR A 44 4.355 10.197 1.531 1.00 32.51 C ATOM 704 O THR A 44 3.832 9.084 1.546 1.00 73.14 O ATOM 705 CB THR A 44 3.211 12.263 0.634 1.00 22.00 C ATOM 706 OG1 THR A 44 2.642 13.526 0.917 1.00 22.10 O ATOM 707 CG2 THR A 44 2.223 11.549 -0.290 1.00 62.22 C ATOM 0 H THR A 44 4.511 13.130 2.640 1.00 62.13 H new ATOM 0 HA THR A 44 2.556 11.105 2.293 1.00 71.14 H new ATOM 0 HB THR A 44 4.185 12.398 0.163 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.258 14.044 1.476 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.030 12.169 -1.165 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.645 10.595 -0.607 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.289 11.373 0.243 1.00 62.22 H new ATOM 715 N ARG A 45 5.650 10.363 1.219 1.00 24.01 N ATOM 716 CA ARG A 45 6.460 9.200 0.853 1.00 72.21 C ATOM 717 C ARG A 45 6.610 8.223 2.011 1.00 64.44 C ATOM 718 O ARG A 45 6.469 7.029 1.775 1.00 71.53 O ATOM 719 CB ARG A 45 7.813 9.542 0.224 1.00 64.22 C ATOM 720 CG ARG A 45 8.697 10.582 0.920 1.00 11.44 C ATOM 721 CD ARG A 45 8.833 11.874 0.098 1.00 54.04 C ATOM 722 NE ARG A 45 9.559 11.678 -1.172 1.00 4.24 N ATOM 723 CZ ARG A 45 10.869 11.445 -1.325 1.00 42.41 C ATOM 724 NH1 ARG A 45 11.667 11.262 -0.279 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 11.375 11.390 -2.547 1.00 0.40 N ATOM 0 H ARG A 45 6.141 11.257 1.213 1.00 24.01 H new ATOM 0 HA ARG A 45 5.895 8.705 0.063 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.386 8.618 0.146 1.00 64.22 H new ATOM 0 HB3 ARG A 45 7.628 9.890 -0.792 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.276 10.818 1.897 1.00 11.44 H new ATOM 0 HG3 ARG A 45 9.686 10.158 1.093 1.00 11.44 H new ATOM 0 HD2 ARG A 45 7.839 12.268 -0.115 1.00 54.04 H new ATOM 0 HD3 ARG A 45 9.352 12.624 0.694 1.00 54.04 H new ATOM 0 HE ARG A 45 9.003 11.725 -2.026 1.00 4.24 H new ATOM 0 HH11 ARG A 45 11.285 11.297 0.666 1.00 25.00 H new ATOM 0 HH12 ARG A 45 12.662 11.086 -0.421 1.00 25.00 H new ATOM 0 HH21 ARG A 45 10.769 11.524 -3.356 1.00 0.40 H new ATOM 0 HH22 ARG A 45 12.371 11.213 -2.679 1.00 0.40 H new ATOM 739 N GLN A 46 6.866 8.699 3.228 1.00 54.25 N ATOM 740 CA GLN A 46 6.925 7.878 4.435 1.00 14.35 C ATOM 741 C GLN A 46 5.648 7.052 4.601 1.00 34.32 C ATOM 742 O GLN A 46 5.739 5.862 4.899 1.00 63.33 O ATOM 743 CB GLN A 46 7.164 8.739 5.686 1.00 1.03 C ATOM 744 CG GLN A 46 8.598 9.281 5.797 1.00 71.03 C ATOM 745 CD GLN A 46 9.598 8.215 6.233 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.123 7.463 5.414 1.00 2.51 O ATOM 747 NE2 GLN A 46 9.944 8.158 7.509 1.00 72.22 N ATOM 0 H GLN A 46 7.042 9.688 3.406 1.00 54.25 H new ATOM 0 HA GLN A 46 7.768 7.196 4.322 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.468 9.577 5.678 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.939 8.146 6.573 1.00 1.03 H new ATOM 0 HG2 GLN A 46 8.904 9.688 4.833 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.617 10.104 6.511 1.00 71.03 H new ATOM 0 HE21 GLN A 46 9.506 8.784 8.185 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.649 7.488 7.817 1.00 72.22 H new ATOM 756 N CYS A 47 4.472 7.653 4.425 1.00 43.24 N ATOM 757 CA CYS A 47 3.192 6.970 4.472 1.00 44.42 C ATOM 758 C CYS A 47 3.096 5.923 3.355 1.00 2.22 C ATOM 759 O CYS A 47 2.780 4.766 3.635 1.00 63.24 O ATOM 760 CB CYS A 47 2.100 8.039 4.377 1.00 3.33 C ATOM 761 SG CYS A 47 1.947 8.878 5.976 1.00 22.35 S ATOM 0 H CYS A 47 4.387 8.653 4.242 1.00 43.24 H new ATOM 0 HA CYS A 47 3.072 6.419 5.405 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.346 8.759 3.597 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.150 7.582 4.100 1.00 3.33 H new ATOM 0 HG CYS A 47 2.854 9.805 6.068 1.00 22.35 H new ATOM 767 N LEU A 48 3.405 6.306 2.113 1.00 4.13 N ATOM 768 CA LEU A 48 3.400 5.428 0.943 1.00 3.12 C ATOM 769 C LEU A 48 4.252 4.192 1.197 1.00 50.02 C ATOM 770 O LEU A 48 3.780 3.072 0.986 1.00 33.14 O ATOM 771 CB LEU A 48 3.924 6.172 -0.305 1.00 72.14 C ATOM 772 CG LEU A 48 2.865 6.437 -1.386 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.467 7.378 -2.437 1.00 73.51 C ATOM 774 CD2 LEU A 48 2.417 5.147 -2.085 1.00 44.04 C ATOM 0 H LEU A 48 3.673 7.264 1.889 1.00 4.13 H new ATOM 0 HA LEU A 48 2.370 5.120 0.762 1.00 3.12 H new ATOM 0 HB2 LEU A 48 4.349 7.125 0.009 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.734 5.590 -0.744 1.00 72.14 H new ATOM 0 HG LEU A 48 1.993 6.878 -0.903 1.00 60.44 H new ATOM 0 HD11 LEU A 48 2.728 7.577 -3.213 1.00 73.51 H new ATOM 0 HD12 LEU A 48 3.757 8.316 -1.963 1.00 73.51 H new ATOM 0 HD13 LEU A 48 4.345 6.911 -2.883 1.00 73.51 H new ATOM 0 HD21 LEU A 48 1.668 5.384 -2.841 1.00 44.04 H new ATOM 0 HD22 LEU A 48 3.276 4.674 -2.561 1.00 44.04 H new ATOM 0 HD23 LEU A 48 1.988 4.465 -1.351 1.00 44.04 H new ATOM 786 N ILE A 49 5.513 4.367 1.607 1.00 4.15 N ATOM 787 CA ILE A 49 6.377 3.238 1.859 1.00 22.35 C ATOM 788 C ILE A 49 5.850 2.415 3.018 1.00 73.31 C ATOM 789 O ILE A 49 5.867 1.207 2.880 1.00 54.42 O ATOM 790 CB ILE A 49 7.869 3.595 2.003 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.161 4.445 3.256 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.354 4.230 0.682 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.646 4.658 3.538 1.00 33.54 C ATOM 0 H ILE A 49 5.944 5.278 1.767 1.00 4.15 H new ATOM 0 HA ILE A 49 6.348 2.620 0.962 1.00 22.35 H new ATOM 0 HB ILE A 49 8.447 2.686 2.173 1.00 2.24 H new ATOM 0 HG12 ILE A 49 7.682 5.417 3.141 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.704 3.965 4.121 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.409 4.488 0.768 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.220 3.520 -0.134 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.776 5.131 0.477 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.762 5.265 4.436 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.130 3.693 3.688 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.107 5.168 2.692 1.00 33.54 H new ATOM 805 N LYS A 50 5.326 2.998 4.104 1.00 54.03 N ATOM 806 CA LYS A 50 4.839 2.195 5.222 1.00 10.45 C ATOM 807 C LYS A 50 3.711 1.291 4.779 1.00 65.14 C ATOM 808 O LYS A 50 3.696 0.126 5.163 1.00 21.01 O ATOM 809 CB LYS A 50 4.403 3.075 6.408 1.00 64.21 C ATOM 810 CG LYS A 50 5.016 2.624 7.742 1.00 11.34 C ATOM 811 CD LYS A 50 6.540 2.799 7.727 1.00 30.02 C ATOM 812 CE LYS A 50 7.192 2.400 9.048 1.00 53.21 C ATOM 813 NZ LYS A 50 8.655 2.321 8.885 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.231 4.006 4.228 1.00 54.03 H new ATOM 0 HA LYS A 50 5.666 1.573 5.565 1.00 10.45 H new ATOM 0 HB2 LYS A 50 4.690 4.108 6.213 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.316 3.056 6.488 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.587 3.204 8.559 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.767 1.579 7.927 1.00 11.34 H new ATOM 0 HD2 LYS A 50 6.963 2.198 6.922 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.780 3.839 7.508 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.943 3.128 9.820 1.00 53.21 H new ATOM 0 HE3 LYS A 50 6.802 1.437 9.379 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 9.091 2.049 9.789 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 8.886 1.610 8.162 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 9.022 3.248 8.589 1.00 51.25 H new ATOM 827 N ILE A 51 2.781 1.805 3.980 1.00 24.51 N ATOM 828 CA ILE A 51 1.679 1.002 3.487 1.00 1.44 C ATOM 829 C ILE A 51 2.250 -0.097 2.596 1.00 1.23 C ATOM 830 O ILE A 51 1.945 -1.268 2.807 1.00 42.41 O ATOM 831 CB ILE A 51 0.640 1.879 2.761 1.00 34.42 C ATOM 832 CG1 ILE A 51 -0.026 2.890 3.722 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.443 0.981 2.143 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.682 4.058 2.978 1.00 62.13 C ATOM 0 H ILE A 51 2.773 2.774 3.663 1.00 24.51 H new ATOM 0 HA ILE A 51 1.146 0.536 4.315 1.00 1.44 H new ATOM 0 HB ILE A 51 1.159 2.441 1.984 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.778 2.376 4.321 1.00 72.01 H new ATOM 0 HG13 ILE A 51 0.722 3.277 4.413 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -1.179 1.600 1.629 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.016 0.295 1.431 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.935 0.410 2.930 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -1.135 4.739 3.698 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.073 4.591 2.400 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.451 3.676 2.306 1.00 62.13 H new ATOM 846 N GLY A 52 3.053 0.269 1.594 1.00 60.25 N ATOM 847 CA GLY A 52 3.551 -0.677 0.611 1.00 12.12 C ATOM 848 C GLY A 52 4.447 -1.733 1.248 1.00 41.42 C ATOM 849 O GLY A 52 4.406 -2.890 0.830 1.00 1.12 O ATOM 0 H GLY A 52 3.371 1.227 1.448 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.711 -1.163 0.116 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.108 -0.143 -0.158 1.00 12.12 H new ATOM 853 N ASP A 53 5.208 -1.349 2.264 1.00 15.43 N ATOM 854 CA ASP A 53 6.039 -2.187 3.102 1.00 23.03 C ATOM 855 C ASP A 53 5.171 -3.165 3.861 1.00 4.51 C ATOM 856 O ASP A 53 5.339 -4.359 3.661 1.00 64.45 O ATOM 857 CB ASP A 53 6.831 -1.340 4.098 1.00 51.04 C ATOM 858 CG ASP A 53 7.652 -2.234 5.016 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.627 -2.858 4.529 1.00 2.34 O ATOM 860 OD2 ASP A 53 7.347 -2.243 6.230 1.00 74.02 O1- ATOM 0 H ASP A 53 5.261 -0.369 2.540 1.00 15.43 H new ATOM 0 HA ASP A 53 6.739 -2.727 2.464 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.489 -0.656 3.562 1.00 51.04 H new ATOM 0 HB3 ASP A 53 6.149 -0.729 4.689 1.00 51.04 H new ATOM 865 N HIS A 54 4.222 -2.685 4.673 1.00 4.14 N ATOM 866 CA HIS A 54 3.427 -3.572 5.512 1.00 61.14 C ATOM 867 C HIS A 54 2.591 -4.511 4.640 1.00 71.00 C ATOM 868 O HIS A 54 2.383 -5.651 5.033 1.00 13.33 O ATOM 869 CB HIS A 54 2.580 -2.794 6.528 1.00 31.12 C ATOM 870 CG HIS A 54 3.407 -2.201 7.651 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.414 -1.275 7.509 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.348 -2.529 8.981 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.951 -1.051 8.717 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.315 -1.771 9.655 1.00 52.53 N ATOM 0 H HIS A 54 3.991 -1.695 4.763 1.00 4.14 H new ATOM 0 HA HIS A 54 4.104 -4.187 6.105 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.048 -1.994 6.013 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.826 -3.458 6.950 1.00 31.12 H new ATOM 0 HD1 HIS A 54 4.703 -0.835 6.635 1.00 41.41 H new ATOM 0 HD2 HIS A 54 2.675 -3.245 9.430 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.779 -0.385 8.909 1.00 33.05 H new ATOM 882 N ILE A 55 2.173 -4.092 3.438 1.00 14.30 N ATOM 883 CA ILE A 55 1.612 -4.993 2.441 1.00 11.25 C ATOM 884 C ILE A 55 2.648 -6.070 2.108 1.00 40.53 C ATOM 885 O ILE A 55 2.352 -7.249 2.264 1.00 21.05 O ATOM 886 CB ILE A 55 1.106 -4.212 1.209 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.128 -3.351 1.549 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.759 -5.136 0.031 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.550 -2.394 0.427 1.00 63.25 C ATOM 0 H ILE A 55 2.217 -3.119 3.137 1.00 14.30 H new ATOM 0 HA ILE A 55 0.731 -5.498 2.838 1.00 11.25 H new ATOM 0 HB ILE A 55 1.930 -3.564 0.912 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.964 -4.010 1.784 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.083 -2.771 2.447 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.408 -4.538 -0.810 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.646 -5.695 -0.267 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.024 -5.832 0.333 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.424 -1.825 0.744 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.269 -1.709 0.206 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.795 -2.967 -0.467 1.00 63.25 H new ATOM 901 N THR A 56 3.842 -5.700 1.641 1.00 5.22 N ATOM 902 CA THR A 56 4.866 -6.659 1.226 1.00 13.14 C ATOM 903 C THR A 56 5.230 -7.622 2.373 1.00 44.41 C ATOM 904 O THR A 56 5.528 -8.795 2.127 1.00 3.10 O ATOM 905 CB THR A 56 6.099 -5.900 0.692 1.00 23.42 C ATOM 906 OG1 THR A 56 5.714 -4.922 -0.254 1.00 70.12 O ATOM 907 CG2 THR A 56 7.052 -6.825 -0.060 1.00 44.22 C ATOM 0 H THR A 56 4.126 -4.726 1.540 1.00 5.22 H new ATOM 0 HA THR A 56 4.470 -7.277 0.420 1.00 13.14 H new ATOM 0 HB THR A 56 6.579 -5.464 1.568 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.547 -4.072 0.204 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.907 -6.252 -0.420 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.399 -7.612 0.609 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.532 -7.272 -0.907 1.00 44.22 H new ATOM 915 N GLU A 57 5.165 -7.129 3.610 1.00 33.02 N ATOM 916 CA GLU A 57 5.505 -7.803 4.848 1.00 24.11 C ATOM 917 C GLU A 57 4.387 -8.713 5.345 1.00 32.24 C ATOM 918 O GLU A 57 4.647 -9.590 6.165 1.00 3.40 O ATOM 919 CB GLU A 57 5.884 -6.757 5.897 1.00 61.11 C ATOM 920 CG GLU A 57 7.223 -6.079 5.566 1.00 73.54 C ATOM 921 CD GLU A 57 8.421 -6.921 5.991 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.503 -7.303 7.179 1.00 1.40 O ATOM 923 OE2 GLU A 57 9.302 -7.185 5.144 1.00 10.24 O1- ATOM 0 H GLU A 57 4.848 -6.174 3.777 1.00 33.02 H new ATOM 0 HA GLU A 57 6.357 -8.456 4.661 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.100 -6.003 5.959 1.00 61.11 H new ATOM 0 HB3 GLU A 57 5.948 -7.231 6.877 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.277 -5.891 4.494 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.269 -5.110 6.062 1.00 73.54 H new ATOM 930 N CYS A 58 3.164 -8.543 4.847 1.00 11.34 N ATOM 931 CA CYS A 58 2.111 -9.537 4.964 1.00 0.31 C ATOM 932 C CYS A 58 2.340 -10.606 3.900 1.00 73.23 C ATOM 933 O CYS A 58 2.422 -11.790 4.187 1.00 13.34 O ATOM 934 CB CYS A 58 0.757 -8.857 4.740 1.00 31.54 C ATOM 935 SG CYS A 58 0.428 -7.693 6.093 1.00 43.24 S ATOM 0 H CYS A 58 2.878 -7.701 4.347 1.00 11.34 H new ATOM 0 HA CYS A 58 2.121 -9.995 5.953 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.757 -8.330 3.786 1.00 31.54 H new ATOM 0 HB3 CYS A 58 -0.034 -9.606 4.691 1.00 31.54 H new ATOM 0 HG CYS A 58 1.142 -6.620 5.925 1.00 43.24 H new ATOM 941 N LEU A 59 2.434 -10.187 2.642 1.00 64.12 N ATOM 942 CA LEU A 59 2.462 -11.067 1.479 1.00 53.20 C ATOM 943 C LEU A 59 3.702 -11.953 1.445 1.00 72.32 C ATOM 944 O LEU A 59 3.666 -12.966 0.744 1.00 72.00 O ATOM 945 CB LEU A 59 2.454 -10.244 0.188 1.00 14.43 C ATOM 946 CG LEU A 59 1.286 -9.265 0.051 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.647 -8.260 -1.040 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.001 -10.016 -0.246 1.00 3.53 C ATOM 0 H LEU A 59 2.494 -9.199 2.397 1.00 64.12 H new ATOM 0 HA LEU A 59 1.575 -11.696 1.556 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.387 -9.684 0.127 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.436 -10.928 -0.661 1.00 14.43 H new ATOM 0 HG LEU A 59 1.113 -8.725 0.982 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.832 -7.547 -1.162 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.556 -7.728 -0.758 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.812 -8.787 -1.980 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -0.823 -9.306 -0.341 1.00 3.53 H new ATOM 0 HD22 LEU A 59 0.108 -10.571 -1.178 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.213 -10.710 0.567 1.00 3.53 H new ATOM 960 N LYS A 60 4.811 -11.603 2.118 1.00 42.43 N ATOM 961 CA LYS A 60 5.927 -12.537 2.217 1.00 35.12 C ATOM 962 C LYS A 60 5.594 -13.751 3.064 1.00 40.54 C ATOM 963 O LYS A 60 6.352 -14.716 2.970 1.00 41.41 O ATOM 964 CB LYS A 60 7.188 -11.849 2.740 1.00 54.12 C ATOM 965 CG LYS A 60 7.113 -11.490 4.233 1.00 34.15 C ATOM 966 CD LYS A 60 8.030 -10.305 4.508 1.00 11.14 C ATOM 967 CE LYS A 60 9.522 -10.650 4.455 1.00 52.11 C ATOM 968 NZ LYS A 60 10.317 -9.476 4.054 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.951 -10.707 2.586 1.00 42.43 H new ATOM 0 HA LYS A 60 6.121 -12.890 1.204 1.00 35.12 H new ATOM 0 HB2 LYS A 60 8.045 -12.502 2.574 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.363 -10.940 2.164 1.00 54.12 H new ATOM 0 HG2 LYS A 60 6.088 -11.244 4.509 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.411 -12.345 4.841 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.822 -9.521 3.780 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.796 -9.897 5.491 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.853 -11.003 5.432 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.687 -11.464 3.750 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.327 -9.673 4.203 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 10.149 -9.270 3.049 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 10.037 -8.655 4.627 1.00 72.35 H new ATOM 982 N GLU A 61 4.502 -13.737 3.827 1.00 54.21 N ATOM 983 CA GLU A 61 4.031 -14.898 4.533 1.00 54.40 C ATOM 984 C GLU A 61 3.808 -15.997 3.509 1.00 62.01 C ATOM 985 O GLU A 61 4.364 -17.086 3.627 1.00 3.42 O ATOM 986 CB GLU A 61 2.730 -14.554 5.277 1.00 64.41 C ATOM 987 CG GLU A 61 2.323 -15.730 6.158 1.00 21.14 C ATOM 988 CD GLU A 61 1.009 -15.547 6.925 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.115 -14.769 6.521 1.00 3.14 O ATOM 990 OE2 GLU A 61 0.828 -16.268 7.938 1.00 63.12 O1- ATOM 0 H GLU A 61 3.925 -12.908 3.965 1.00 54.21 H new ATOM 0 HA GLU A 61 4.756 -15.233 5.275 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.872 -13.661 5.886 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.938 -14.330 4.562 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.240 -16.619 5.533 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.121 -15.919 6.876 1.00 21.14 H new ATOM 997 N TYR A 62 2.990 -15.713 2.497 1.00 60.23 N ATOM 998 CA TYR A 62 2.435 -16.790 1.702 1.00 13.04 C ATOM 999 C TYR A 62 3.496 -17.409 0.800 1.00 13.02 C ATOM 1000 O TYR A 62 4.361 -16.713 0.268 1.00 51.53 O ATOM 1001 CB TYR A 62 1.250 -16.307 0.876 1.00 44.44 C ATOM 1002 CG TYR A 62 0.239 -15.488 1.645 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.402 -16.033 2.772 1.00 21.24 C ATOM 1004 CD2 TYR A 62 -0.023 -14.159 1.264 1.00 33.43 C ATOM 1005 CE1 TYR A 62 -1.346 -15.277 3.483 1.00 62.34 C ATOM 1006 CE2 TYR A 62 -0.922 -13.384 2.014 1.00 41.42 C ATOM 1007 CZ TYR A 62 -1.593 -13.935 3.125 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.458 -13.169 3.839 1.00 10.34 O ATOM 0 H TYR A 62 2.707 -14.773 2.219 1.00 60.23 H new ATOM 0 HA TYR A 62 2.081 -17.558 2.390 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.623 -15.711 0.043 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.746 -17.173 0.447 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.167 -17.037 3.091 1.00 21.24 H new ATOM 0 HD2 TYR A 62 0.465 -13.737 0.398 1.00 33.43 H new ATOM 0 HE1 TYR A 62 -1.885 -15.723 4.306 1.00 62.34 H new ATOM 0 HE2 TYR A 62 -1.101 -12.356 1.737 1.00 41.42 H new ATOM 0 HH TYR A 62 -2.501 -12.272 3.447 1.00 10.34 H new ATOM 1018 N THR A 63 3.374 -18.712 0.577 1.00 43.11 N ATOM 1019 CA THR A 63 4.230 -19.464 -0.329 1.00 35.33 C ATOM 1020 C THR A 63 3.523 -19.590 -1.682 1.00 12.01 C ATOM 1021 O THR A 63 4.046 -19.125 -2.702 1.00 41.13 O ATOM 1022 CB THR A 63 4.727 -20.764 0.333 1.00 2.33 C ATOM 1023 OG1 THR A 63 5.165 -21.750 -0.576 1.00 32.45 O ATOM 1024 CG2 THR A 63 3.701 -21.411 1.251 1.00 31.03 C ATOM 0 H THR A 63 2.663 -19.286 1.030 1.00 43.11 H new ATOM 0 HA THR A 63 5.161 -18.940 -0.545 1.00 35.33 H new ATOM 0 HB THR A 63 5.579 -20.416 0.917 1.00 2.33 H new ATOM 0 HG1 THR A 63 5.465 -22.541 -0.081 1.00 32.45 H new ATOM 0 HG21 THR A 63 4.120 -22.321 1.681 1.00 31.03 H new ATOM 0 HG22 THR A 63 3.440 -20.718 2.051 1.00 31.03 H new ATOM 0 HG23 THR A 63 2.806 -21.659 0.680 1.00 31.03 H new ATOM 1032 N ASN A 64 2.316 -20.172 -1.674 1.00 22.12 N ATOM 1033 CA ASN A 64 1.643 -20.646 -2.880 1.00 20.34 C ATOM 1034 C ASN A 64 1.453 -19.506 -3.879 1.00 62.22 C ATOM 1035 O ASN A 64 1.120 -18.387 -3.470 1.00 24.00 O ATOM 1036 CB ASN A 64 0.279 -21.262 -2.529 1.00 73.21 C ATOM 1037 CG ASN A 64 0.432 -22.517 -1.695 1.00 21.22 C ATOM 1038 OD1 ASN A 64 0.349 -22.466 -0.471 1.00 61.02 O ATOM 1039 ND2 ASN A 64 0.710 -23.637 -2.326 1.00 53.22 N ATOM 0 H ASN A 64 1.779 -20.326 -0.821 1.00 22.12 H new ATOM 0 HA ASN A 64 2.271 -21.411 -3.337 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.321 -20.533 -1.984 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.261 -21.497 -3.446 1.00 73.21 H new ATOM 0 HD21 ASN A 64 0.864 -24.496 -1.797 1.00 53.22 H new ATOM 0 HD22 ASN A 64 0.772 -23.647 -3.344 1.00 53.22 H new ATOM 1046 N PRO A 65 1.561 -19.787 -5.190 1.00 2.25 N ATOM 1047 CA PRO A 65 1.602 -18.755 -6.217 1.00 15.53 C ATOM 1048 C PRO A 65 0.272 -18.019 -6.320 1.00 14.03 C ATOM 1049 O PRO A 65 0.256 -16.805 -6.509 1.00 64.50 O ATOM 1050 CB PRO A 65 1.965 -19.478 -7.518 1.00 31.12 C ATOM 1051 CG PRO A 65 1.520 -20.920 -7.276 1.00 31.01 C ATOM 1052 CD PRO A 65 1.755 -21.103 -5.783 1.00 54.11 C ATOM 0 HA PRO A 65 2.336 -17.984 -5.983 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.452 -19.040 -8.374 1.00 31.12 H new ATOM 0 HB3 PRO A 65 3.034 -19.419 -7.723 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.473 -21.070 -7.541 1.00 31.01 H new ATOM 0 HG3 PRO A 65 2.103 -21.627 -7.866 1.00 31.01 H new ATOM 0 HD2 PRO A 65 1.058 -21.828 -5.363 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.760 -21.476 -5.588 1.00 54.11 H new ATOM 1060 N GLU A 66 -0.840 -18.737 -6.166 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.155 -18.129 -6.204 1.00 32.01 C ATOM 1062 C GLU A 66 -2.355 -17.190 -5.015 1.00 34.31 C ATOM 1063 O GLU A 66 -2.917 -16.117 -5.197 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.237 -19.215 -6.215 1.00 33.45 C ATOM 1065 CG GLU A 66 -4.211 -18.979 -7.376 1.00 24.12 C ATOM 1066 CD GLU A 66 -5.501 -19.785 -7.242 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -5.471 -20.894 -6.664 1.00 45.54 O1- ATOM 1068 OE2 GLU A 66 -6.552 -19.271 -7.690 1.00 0.13 O ATOM 0 H GLU A 66 -0.848 -19.745 -6.013 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.236 -17.540 -7.118 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -2.775 -20.198 -6.312 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -3.779 -19.209 -5.269 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -4.455 -17.918 -7.429 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -3.721 -19.240 -8.314 1.00 24.12 H new ATOM 1075 N GLN A 67 -1.890 -17.586 -3.825 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.085 -16.844 -2.588 1.00 44.41 C ATOM 1077 C GLN A 67 -1.306 -15.542 -2.652 1.00 71.14 C ATOM 1078 O GLN A 67 -1.892 -14.481 -2.451 1.00 63.51 O ATOM 1079 CB GLN A 67 -1.637 -17.679 -1.379 1.00 53.35 C ATOM 1080 CG GLN A 67 -2.723 -17.867 -0.315 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.339 -18.944 0.700 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -2.973 -19.984 0.839 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -1.300 -18.686 1.474 1.00 3.24 N ATOM 0 H GLN A 67 -1.359 -18.448 -3.699 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.146 -16.623 -2.469 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.311 -18.659 -1.728 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -0.772 -17.200 -0.920 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -2.893 -16.923 0.203 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.662 -18.139 -0.797 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -0.777 -17.819 1.353 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -1.021 -19.354 2.193 1.00 3.24 H new ATOM 1092 N ILE A 68 0.003 -15.604 -2.927 1.00 1.22 N ATOM 1093 CA ILE A 68 0.801 -14.394 -3.092 1.00 12.50 C ATOM 1094 C ILE A 68 0.154 -13.513 -4.171 1.00 71.12 C ATOM 1095 O ILE A 68 -0.013 -12.324 -3.922 1.00 55.41 O ATOM 1096 CB ILE A 68 2.308 -14.652 -3.337 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.630 -15.497 -4.575 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.988 -15.295 -2.128 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.934 -14.639 -5.807 1.00 33.44 C ATOM 0 H ILE A 68 0.524 -16.474 -3.038 1.00 1.22 H new ATOM 0 HA ILE A 68 0.795 -13.858 -2.143 1.00 12.50 H new ATOM 0 HB ILE A 68 2.704 -13.652 -3.513 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.486 -16.137 -4.362 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.787 -16.154 -4.792 1.00 13.11 H new ATOM 0 HG21 ILE A 68 4.043 -15.457 -2.347 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.894 -14.636 -1.265 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.512 -16.251 -1.909 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.155 -15.286 -6.656 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.069 -14.018 -6.040 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.794 -14.001 -5.603 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.261 -14.060 -5.329 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.866 -13.276 -6.410 1.00 12.30 C ATOM 1113 C LYS A 69 -2.122 -12.565 -5.910 1.00 53.31 C ATOM 1114 O LYS A 69 -2.231 -11.341 -6.026 1.00 62.25 O ATOM 1115 CB LYS A 69 -1.166 -14.201 -7.607 1.00 34.45 C ATOM 1116 CG LYS A 69 -1.679 -13.502 -8.874 1.00 41.45 C ATOM 1117 CD LYS A 69 -0.536 -12.825 -9.649 1.00 30.22 C ATOM 1118 CE LYS A 69 -0.912 -12.330 -11.051 1.00 41.34 C ATOM 1119 NZ LYS A 69 -1.457 -13.400 -11.915 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.184 -15.056 -5.536 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.170 -12.506 -6.742 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -0.257 -14.747 -7.858 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.905 -14.939 -7.296 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -2.174 -14.230 -9.517 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -2.426 -12.757 -8.602 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.172 -11.979 -9.066 1.00 30.22 H new ATOM 0 HD3 LYS A 69 0.291 -13.530 -9.738 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -1.649 -11.531 -10.963 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -0.031 -11.900 -11.527 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -1.486 -13.069 -12.901 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -0.850 -14.242 -11.850 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -2.419 -13.642 -11.603 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.072 -13.333 -5.380 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.388 -12.856 -5.022 1.00 72.22 C ATOM 1135 C GLN A 70 -4.293 -11.865 -3.878 1.00 73.44 C ATOM 1136 O GLN A 70 -4.855 -10.781 -3.982 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.301 -14.029 -4.649 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.780 -13.623 -4.529 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.323 -12.894 -5.763 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.063 -13.260 -6.901 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -8.080 -11.821 -5.592 1.00 61.54 N ATOM 0 H GLN A 70 -2.936 -14.325 -5.187 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.822 -12.348 -5.883 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.204 -14.811 -5.402 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -4.969 -14.455 -3.702 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.379 -14.516 -4.353 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -6.901 -12.981 -3.657 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -8.307 -11.502 -4.650 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.436 -11.314 -6.402 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.595 -12.188 -2.788 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.470 -11.257 -1.685 1.00 1.41 C ATOM 1152 C TRP A 71 -2.726 -10.003 -2.120 1.00 43.13 C ATOM 1153 O TRP A 71 -3.107 -8.909 -1.706 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.811 -11.924 -0.486 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.712 -12.870 0.232 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.548 -14.202 0.339 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -4.924 -12.556 0.972 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.590 -14.746 1.064 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.462 -13.765 1.497 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.607 -11.358 1.261 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.630 -13.776 2.276 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.770 -11.358 2.050 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.278 -12.563 2.564 1.00 10.30 C ATOM 0 H TRP A 71 -3.116 -13.078 -2.653 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.469 -10.950 -1.375 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -1.924 -12.461 -0.820 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.475 -11.155 0.209 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.725 -14.762 -0.080 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.701 -15.742 1.255 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.231 -10.424 0.870 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.027 -14.708 2.650 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.276 -10.428 2.262 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.165 -12.557 3.180 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.711 -10.125 -2.983 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.949 -8.965 -3.438 1.00 44.24 C ATOM 1176 C ARG A 72 -1.870 -7.969 -4.125 1.00 25.40 C ATOM 1177 O ARG A 72 -1.787 -6.777 -3.839 1.00 72.43 O ATOM 1178 CB ARG A 72 0.242 -9.419 -4.292 1.00 20.22 C ATOM 1179 CG ARG A 72 1.153 -8.320 -4.851 1.00 24.51 C ATOM 1180 CD ARG A 72 2.487 -8.968 -5.262 1.00 4.10 C ATOM 1181 NE ARG A 72 3.087 -8.348 -6.454 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.116 -8.845 -7.150 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.739 -9.966 -6.798 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 4.533 -8.205 -8.233 1.00 74.24 N ATOM 0 H ARG A 72 -1.402 -11.014 -3.377 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.521 -8.434 -2.588 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.853 -10.093 -3.691 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.143 -9.999 -5.130 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.684 -7.837 -5.708 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.321 -7.547 -4.101 1.00 24.51 H new ATOM 0 HD2 ARG A 72 3.189 -8.898 -4.431 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.325 -10.029 -5.454 1.00 4.10 H new ATOM 0 HE ARG A 72 2.686 -7.467 -6.776 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.436 -10.480 -5.971 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.520 -10.312 -7.356 1.00 54.04 H new ATOM 0 HH21 ARG A 72 4.071 -7.345 -8.527 1.00 74.24 H new ATOM 0 HH22 ARG A 72 5.316 -8.573 -8.773 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.772 -8.428 -5.000 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.797 -7.536 -5.533 1.00 2.53 C ATOM 1200 C LYS A 73 -4.822 -7.148 -4.463 1.00 1.23 C ATOM 1201 O LYS A 73 -5.159 -5.973 -4.418 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.435 -8.062 -6.830 1.00 34.23 C ATOM 1203 CG LYS A 73 -5.148 -9.414 -6.699 1.00 63.11 C ATOM 1204 CD LYS A 73 -5.672 -9.950 -8.031 1.00 42.23 C ATOM 1205 CE LYS A 73 -6.749 -9.030 -8.598 1.00 22.32 C ATOM 1206 NZ LYS A 73 -7.335 -9.566 -9.836 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.811 -9.387 -5.345 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.294 -6.614 -5.824 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -5.151 -7.324 -7.190 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -3.658 -8.150 -7.590 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.459 -10.141 -6.268 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -5.981 -9.312 -6.003 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -4.850 -10.037 -8.742 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -6.079 -10.951 -7.891 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -7.535 -8.891 -7.855 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -6.320 -8.048 -8.796 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -8.062 -8.911 -10.188 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -6.590 -9.675 -10.554 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -7.768 -10.492 -9.643 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.309 -8.063 -3.614 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.368 -7.801 -2.636 1.00 31.13 C ATOM 1222 C ASN A 74 -6.006 -6.596 -1.776 1.00 50.53 C ATOM 1223 O ASN A 74 -6.800 -5.669 -1.664 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.631 -8.989 -1.688 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.304 -10.217 -2.285 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -7.978 -10.145 -3.307 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.158 -11.366 -1.638 1.00 4.44 N ATOM 0 H ASN A 74 -4.970 -9.025 -3.589 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.270 -7.620 -3.220 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.677 -9.300 -1.262 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.248 -8.633 -0.863 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -7.610 -12.210 -1.989 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -6.593 -11.405 -0.790 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.813 -6.605 -1.174 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.315 -5.545 -0.302 1.00 4.53 C ATOM 1236 C LEU A 75 -4.193 -4.232 -1.083 1.00 24.52 C ATOM 1237 O LEU A 75 -4.689 -3.202 -0.625 1.00 41.55 O ATOM 1238 CB LEU A 75 -2.976 -5.974 0.334 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.107 -6.775 1.652 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.876 -8.093 1.514 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -1.733 -7.103 2.239 1.00 54.21 C ATOM 0 H LEU A 75 -4.151 -7.373 -1.285 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.023 -5.373 0.509 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.425 -6.577 -0.387 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.379 -5.082 0.526 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.675 -6.117 2.310 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.922 -8.591 2.483 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -4.888 -7.889 1.163 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.367 -8.738 0.798 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -1.858 -7.666 3.164 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.165 -7.700 1.525 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.196 -6.178 2.447 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.582 -4.255 -2.274 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.465 -3.055 -3.100 1.00 2.42 C ATOM 1255 C TRP A 76 -4.835 -2.464 -3.464 1.00 30.11 C ATOM 1256 O TRP A 76 -5.003 -1.245 -3.445 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.623 -3.351 -4.355 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.137 -3.228 -4.178 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.209 -4.157 -4.509 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.386 -2.096 -3.647 1.00 74.43 C ATOM 1261 NE1 TRP A 76 1.055 -3.692 -4.202 1.00 61.30 N ATOM 1262 CE2 TRP A 76 1.005 -2.409 -3.706 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.742 -0.840 -3.108 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.989 -1.505 -3.279 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.237 0.056 -2.651 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.592 -0.268 -2.760 1.00 33.11 C ATOM 0 H TRP A 76 -3.163 -5.090 -2.683 1.00 13.51 H new ATOM 0 HA TRP A 76 -2.951 -2.295 -2.511 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.849 -4.362 -4.693 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.935 -2.672 -5.149 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.425 -5.120 -4.948 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.913 -4.229 -4.327 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.784 -0.565 -3.046 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 3.036 -1.760 -3.350 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.058 0.999 -2.214 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.340 0.443 -2.441 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.807 -3.316 -3.792 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.184 -2.941 -4.088 1.00 32.02 C ATOM 1279 C ILE A 77 -7.782 -2.305 -2.842 1.00 35.11 C ATOM 1280 O ILE A 77 -8.308 -1.200 -2.927 1.00 41.01 O ATOM 1281 CB ILE A 77 -7.969 -4.180 -4.579 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.480 -4.545 -5.990 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.491 -3.962 -4.579 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -7.882 -5.962 -6.409 1.00 32.44 C ATOM 0 H ILE A 77 -5.648 -4.321 -3.860 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.235 -2.209 -4.894 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.779 -4.997 -3.883 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.885 -3.830 -6.706 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.394 -4.454 -6.028 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -9.988 -4.865 -4.933 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.826 -3.736 -3.567 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.739 -3.130 -5.237 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.510 -6.164 -7.413 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.454 -6.683 -5.712 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -8.968 -6.050 -6.400 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.685 -2.988 -1.702 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.240 -2.554 -0.427 1.00 71.52 C ATOM 1298 C PHE A 78 -7.820 -1.115 -0.110 1.00 63.24 C ATOM 1299 O PHE A 78 -8.681 -0.305 0.243 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.844 -3.526 0.699 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.304 -3.065 2.067 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.572 -3.440 2.556 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.501 -2.176 2.810 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -10.057 -2.895 3.758 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -8.019 -1.588 3.975 1.00 12.10 C ATOM 1306 CZ PHE A 78 -9.289 -1.945 4.453 1.00 25.55 C ATOM 0 H PHE A 78 -7.203 -3.885 -1.642 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.327 -2.566 -0.502 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.269 -4.508 0.490 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.760 -3.643 0.706 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.173 -4.148 2.005 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.496 -1.949 2.486 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -11.016 -3.205 4.146 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -7.434 -0.854 4.509 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.676 -1.491 5.353 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.525 -0.795 -0.215 1.00 42.13 N ATOM 1317 CA VAL A 79 -6.038 0.549 0.098 1.00 72.11 C ATOM 1318 C VAL A 79 -6.632 1.565 -0.874 1.00 63.14 C ATOM 1319 O VAL A 79 -7.015 2.646 -0.438 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.500 0.596 0.099 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.972 2.012 0.373 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.962 -0.337 1.190 1.00 22.13 C ATOM 0 H VAL A 79 -5.800 -1.447 -0.513 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.366 0.812 1.104 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.162 0.282 -0.888 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.882 2.002 0.365 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -4.334 2.691 -0.399 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -4.325 2.350 1.348 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.872 -0.305 1.192 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.336 -0.014 2.162 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.294 -1.356 0.993 1.00 22.13 H new ATOM 1332 N SER A 80 -6.770 1.225 -2.157 1.00 34.12 N ATOM 1333 CA SER A 80 -7.320 2.152 -3.143 1.00 61.41 C ATOM 1334 C SER A 80 -8.796 2.543 -2.913 1.00 21.53 C ATOM 1335 O SER A 80 -9.325 3.323 -3.703 1.00 43.34 O ATOM 1336 CB SER A 80 -7.048 1.644 -4.561 1.00 54.34 C ATOM 1337 OG SER A 80 -7.749 0.458 -4.894 1.00 43.03 O ATOM 0 H SER A 80 -6.508 0.315 -2.536 1.00 34.12 H new ATOM 0 HA SER A 80 -6.789 3.094 -3.008 1.00 61.41 H new ATOM 0 HB2 SER A 80 -7.317 2.424 -5.273 1.00 54.34 H new ATOM 0 HB3 SER A 80 -5.979 1.465 -4.673 1.00 54.34 H new ATOM 0 HG SER A 80 -8.145 0.073 -4.084 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.476 2.037 -1.873 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.772 2.588 -1.448 1.00 53.15 C ATOM 1345 C LYS A 81 -10.647 3.696 -0.398 1.00 44.31 C ATOM 1346 O LYS A 81 -11.656 4.312 -0.060 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.716 1.475 -0.958 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.259 0.591 -2.098 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.533 -0.755 -2.166 1.00 70.23 C ATOM 1350 CE LYS A 81 -11.742 -1.508 -3.488 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.149 -1.893 -3.728 1.00 70.41 N1+ ATOM 0 H LYS A 81 -9.151 1.249 -1.312 1.00 14.35 H new ATOM 0 HA LYS A 81 -11.205 3.052 -2.334 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -11.186 0.847 -0.242 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.554 1.926 -0.427 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -13.326 0.422 -1.951 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -12.147 1.113 -3.048 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -10.466 -0.589 -2.018 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.875 -1.383 -1.343 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.399 -0.883 -4.312 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -11.122 -2.405 -3.489 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.221 -2.397 -4.635 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.475 -2.514 -2.960 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -13.742 -1.039 -3.758 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.457 3.942 0.149 1.00 71.53 N ATOM 1366 CA PHE A 82 -9.172 5.121 0.960 1.00 3.11 C ATOM 1367 C PHE A 82 -8.736 6.286 0.072 1.00 61.04 C ATOM 1368 O PHE A 82 -9.282 7.381 0.187 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.091 4.809 2.008 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.580 3.931 3.138 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -8.874 2.574 2.909 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -8.831 4.501 4.401 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -9.495 1.816 3.914 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -9.420 3.733 5.417 1.00 11.10 C ATOM 1375 CZ PHE A 82 -9.786 2.396 5.165 1.00 61.24 C ATOM 0 H PHE A 82 -8.656 3.320 0.039 1.00 71.53 H new ATOM 0 HA PHE A 82 -10.084 5.407 1.484 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.250 4.320 1.516 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.717 5.745 2.422 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -8.623 2.117 1.963 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -8.569 5.532 4.588 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -9.751 0.783 3.728 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -9.593 4.166 6.391 1.00 11.10 H new ATOM 0 HZ PHE A 82 -10.287 1.818 5.927 1.00 61.24 H new ATOM 1385 N THR A 83 -7.739 6.074 -0.784 1.00 61.12 N ATOM 1386 CA THR A 83 -7.049 7.146 -1.495 1.00 12.22 C ATOM 1387 C THR A 83 -7.801 7.482 -2.791 1.00 51.24 C ATOM 1388 O THR A 83 -8.608 6.695 -3.290 1.00 21.11 O ATOM 1389 CB THR A 83 -5.558 6.756 -1.676 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.838 7.623 -2.529 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.346 5.342 -2.219 1.00 21.44 C ATOM 0 H THR A 83 -7.384 5.144 -1.005 1.00 61.12 H new ATOM 0 HA THR A 83 -7.047 8.073 -0.922 1.00 12.22 H new ATOM 0 HB THR A 83 -5.179 6.828 -0.657 1.00 21.14 H new ATOM 0 HG1 THR A 83 -3.909 7.319 -2.596 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.278 5.146 -2.317 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.786 4.619 -1.532 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.822 5.252 -3.195 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.501 8.643 -3.374 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.867 9.002 -4.744 1.00 74.01 C ATOM 1401 C GLU A 84 -7.186 8.076 -5.761 1.00 43.32 C ATOM 1402 O GLU A 84 -7.613 8.002 -6.915 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.390 10.436 -5.026 1.00 14.25 C ATOM 1404 CG GLU A 84 -8.065 11.511 -4.166 1.00 22.52 C ATOM 1405 CD GLU A 84 -9.549 11.710 -4.490 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -9.921 11.745 -5.685 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -10.349 11.889 -3.544 1.00 15.35 O1- ATOM 0 H GLU A 84 -6.983 9.379 -2.894 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.949 8.911 -4.841 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -6.313 10.485 -4.867 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -7.568 10.665 -6.077 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -7.964 11.241 -3.115 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -7.541 12.457 -4.304 1.00 22.52 H new ATOM 1414 N PHE A 85 -6.093 7.418 -5.366 1.00 73.53 N ATOM 1415 CA PHE A 85 -5.228 6.673 -6.255 1.00 60.43 C ATOM 1416 C PHE A 85 -5.754 5.265 -6.477 1.00 31.05 C ATOM 1417 O PHE A 85 -5.878 4.475 -5.541 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.805 6.656 -5.703 1.00 20.01 C ATOM 1419 CG PHE A 85 -3.047 7.938 -5.981 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -3.263 9.099 -5.216 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -2.144 7.974 -7.054 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -2.521 10.264 -5.480 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -1.390 9.130 -7.317 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.566 10.272 -6.513 1.00 71.12 C ATOM 0 H PHE A 85 -5.786 7.394 -4.393 1.00 73.53 H new ATOM 0 HA PHE A 85 -5.214 7.168 -7.226 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.841 6.488 -4.627 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -3.262 5.817 -6.139 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.999 9.095 -4.426 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -2.027 7.105 -7.684 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -2.684 11.153 -4.889 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -0.680 9.142 -8.131 1.00 70.20 H new ATOM 0 HZ PHE A 85 -0.968 11.154 -6.689 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.980 4.926 -7.745 1.00 63.21 N ATOM 1435 CA ASP A 86 -6.298 3.553 -8.127 1.00 42.44 C ATOM 1436 C ASP A 86 -5.112 2.678 -7.782 1.00 50.23 C ATOM 1437 O ASP A 86 -3.956 3.098 -7.873 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.544 3.369 -9.627 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.987 3.128 -10.024 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -8.880 3.797 -9.456 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -8.177 2.307 -10.952 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.949 5.583 -8.524 1.00 63.21 H new ATOM 0 HA ASP A 86 -7.212 3.290 -7.594 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -6.185 4.256 -10.148 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.944 2.529 -9.976 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.412 1.406 -7.559 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.434 0.395 -7.179 1.00 54.34 C ATOM 1448 C ALA A 87 -3.317 0.283 -8.222 1.00 42.15 C ATOM 1449 O ALA A 87 -2.179 -0.042 -7.887 1.00 54.10 O ATOM 1450 CB ALA A 87 -5.132 -0.952 -6.986 1.00 13.05 C ATOM 0 H ALA A 87 -6.361 1.040 -7.639 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.974 0.695 -6.238 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.397 -1.705 -6.702 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.883 -0.863 -6.201 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.614 -1.249 -7.917 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.638 0.549 -9.494 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.693 0.551 -10.602 1.00 71.23 C ATOM 1458 C ARG A 88 -1.652 1.654 -10.446 1.00 35.22 C ATOM 1459 O ARG A 88 -0.483 1.425 -10.750 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.463 0.757 -11.917 1.00 33.21 C ATOM 1461 CG ARG A 88 -2.701 0.289 -13.161 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.722 -1.236 -13.271 1.00 12.42 C ATOM 1463 NE ARG A 88 -2.190 -1.686 -14.558 1.00 52.53 N ATOM 1464 CZ ARG A 88 -2.867 -2.198 -15.591 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -4.187 -2.353 -15.563 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -2.187 -2.573 -16.664 1.00 13.42 N ATOM 0 H ARG A 88 -4.590 0.774 -9.782 1.00 54.42 H new ATOM 0 HA ARG A 88 -2.171 -0.406 -10.611 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -4.410 0.221 -11.860 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.701 1.815 -12.025 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -3.148 0.728 -14.053 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -1.670 0.640 -13.115 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -2.134 -1.669 -12.461 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -3.744 -1.597 -13.152 1.00 12.42 H new ATOM 0 HE ARG A 88 -1.181 -1.598 -14.682 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -4.715 -2.078 -14.735 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -4.671 -2.747 -16.369 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -1.173 -2.468 -16.687 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -2.678 -2.967 -17.467 1.00 13.42 H new ATOM 1480 N LYS A 89 -2.056 2.866 -10.052 1.00 15.10 N ATOM 1481 CA LYS A 89 -1.118 3.959 -9.805 1.00 14.14 C ATOM 1482 C LYS A 89 -0.369 3.623 -8.522 1.00 2.34 C ATOM 1483 O LYS A 89 0.854 3.669 -8.488 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.825 5.320 -9.642 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.599 5.890 -10.844 1.00 43.13 C ATOM 1486 CD LYS A 89 -4.026 5.349 -10.939 1.00 64.32 C ATOM 1487 CE LYS A 89 -4.884 6.029 -12.018 1.00 13.54 C ATOM 1488 NZ LYS A 89 -5.757 7.098 -11.483 1.00 75.22 N1+ ATOM 0 H LYS A 89 -3.034 3.113 -9.897 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.450 4.054 -10.661 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -2.522 5.235 -8.808 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.072 6.053 -9.354 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.631 6.977 -10.767 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -2.063 5.651 -11.762 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.985 4.279 -11.144 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.514 5.470 -9.972 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -4.229 6.451 -12.780 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -5.501 5.277 -12.509 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -6.309 7.516 -12.259 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -6.404 6.696 -10.775 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -5.172 7.834 -11.038 1.00 75.22 H new ATOM 1502 N LEU A 90 -1.116 3.281 -7.476 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.664 3.076 -6.113 1.00 62.33 C ATOM 1504 C LEU A 90 0.538 2.123 -6.062 1.00 70.22 C ATOM 1505 O LEU A 90 1.604 2.492 -5.566 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.898 2.600 -5.333 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.810 2.775 -3.823 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -1.648 4.229 -3.388 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -3.069 2.181 -3.190 1.00 43.35 C ATOM 0 H LEU A 90 -2.120 3.131 -7.570 1.00 2.34 H new ATOM 0 HA LEU A 90 -0.281 3.987 -5.653 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.771 3.142 -5.697 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -2.064 1.545 -5.553 1.00 42.24 H new ATOM 0 HG LEU A 90 -0.914 2.255 -3.484 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -1.592 4.279 -2.301 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -0.733 4.638 -3.818 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.503 4.810 -3.735 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -3.022 2.298 -2.107 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -3.948 2.699 -3.573 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -3.136 1.122 -3.438 1.00 43.35 H new ATOM 1521 N HIS A 91 0.425 0.929 -6.656 1.00 11.24 N ATOM 1522 CA HIS A 91 1.525 -0.030 -6.676 1.00 44.30 C ATOM 1523 C HIS A 91 2.758 0.468 -7.452 1.00 65.40 C ATOM 1524 O HIS A 91 3.891 0.122 -7.096 1.00 62.10 O ATOM 1525 CB HIS A 91 1.030 -1.412 -7.144 1.00 74.21 C ATOM 1526 CG HIS A 91 0.593 -1.603 -8.583 1.00 23.33 C ATOM 1527 ND1 HIS A 91 1.182 -1.112 -9.731 1.00 12.20 N ATOM 1528 CD2 HIS A 91 -0.392 -2.467 -8.977 1.00 63.15 C ATOM 1529 CE1 HIS A 91 0.546 -1.649 -10.786 1.00 30.45 C ATOM 1530 NE2 HIS A 91 -0.408 -2.501 -10.376 1.00 10.32 N ATOM 0 H HIS A 91 -0.420 0.608 -7.128 1.00 11.24 H new ATOM 0 HA HIS A 91 1.879 -0.138 -5.651 1.00 44.30 H new ATOM 0 HB2 HIS A 91 1.828 -2.128 -6.948 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.189 -1.690 -6.508 1.00 74.21 H new ATOM 0 HD2 HIS A 91 -1.044 -3.026 -8.322 1.00 63.15 H new ATOM 0 HE1 HIS A 91 0.770 -1.427 -11.819 1.00 30.45 H new ATOM 0 HE2 HIS A 91 -1.022 -3.061 -10.967 1.00 10.32 H new ATOM 1538 N LYS A 92 2.563 1.268 -8.512 1.00 0.33 N ATOM 1539 CA LYS A 92 3.641 1.840 -9.325 1.00 62.41 C ATOM 1540 C LYS A 92 4.398 2.887 -8.515 1.00 4.02 C ATOM 1541 O LYS A 92 5.628 2.909 -8.560 1.00 61.24 O ATOM 1542 CB LYS A 92 3.058 2.432 -10.627 1.00 22.30 C ATOM 1543 CG LYS A 92 4.073 3.245 -11.448 1.00 2.40 C ATOM 1544 CD LYS A 92 3.444 3.766 -12.746 1.00 24.33 C ATOM 1545 CE LYS A 92 4.473 4.529 -13.585 1.00 65.23 C ATOM 1546 NZ LYS A 92 3.922 4.883 -14.909 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.633 1.539 -8.832 1.00 0.33 H new ATOM 0 HA LYS A 92 4.349 1.059 -9.604 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.673 1.620 -11.244 1.00 22.30 H new ATOM 0 HB3 LYS A 92 2.211 3.071 -10.377 1.00 22.30 H new ATOM 0 HG2 LYS A 92 4.437 4.084 -10.854 1.00 2.40 H new ATOM 0 HG3 LYS A 92 4.937 2.623 -11.683 1.00 2.40 H new ATOM 0 HD2 LYS A 92 3.046 2.931 -13.323 1.00 24.33 H new ATOM 0 HD3 LYS A 92 2.604 4.420 -12.511 1.00 24.33 H new ATOM 0 HE2 LYS A 92 4.776 5.435 -13.060 1.00 65.23 H new ATOM 0 HE3 LYS A 92 5.368 3.920 -13.711 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 4.640 5.399 -15.457 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 3.656 4.016 -15.417 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 3.082 5.484 -14.786 1.00 43.32 H new ATOM 1560 N LEU A 93 3.675 3.734 -7.780 1.00 63.33 N ATOM 1561 CA LEU A 93 4.219 4.760 -6.903 1.00 20.11 C ATOM 1562 C LEU A 93 5.106 4.116 -5.847 1.00 43.43 C ATOM 1563 O LEU A 93 6.247 4.551 -5.689 1.00 62.13 O ATOM 1564 CB LEU A 93 3.074 5.568 -6.261 1.00 1.11 C ATOM 1565 CG LEU A 93 2.758 6.890 -6.981 1.00 52.21 C ATOM 1566 CD1 LEU A 93 2.428 6.738 -8.473 1.00 23.33 C ATOM 1567 CD2 LEU A 93 1.563 7.546 -6.290 1.00 24.41 C ATOM 0 H LEU A 93 2.655 3.719 -7.783 1.00 63.33 H new ATOM 0 HA LEU A 93 4.830 5.451 -7.484 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.175 4.952 -6.243 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.333 5.784 -5.224 1.00 1.11 H new ATOM 0 HG LEU A 93 3.663 7.495 -6.922 1.00 52.21 H new ATOM 0 HD11 LEU A 93 2.218 7.718 -8.901 1.00 23.33 H new ATOM 0 HD12 LEU A 93 3.277 6.291 -8.990 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.554 6.097 -8.589 1.00 23.33 H new ATOM 0 HD21 LEU A 93 1.325 8.486 -6.789 1.00 24.41 H new ATOM 0 HD22 LEU A 93 0.702 6.880 -6.342 1.00 24.41 H new ATOM 0 HD23 LEU A 93 1.808 7.741 -5.246 1.00 24.41 H new ATOM 1579 N TYR A 94 4.623 3.078 -5.149 1.00 62.42 N ATOM 1580 CA TYR A 94 5.446 2.378 -4.169 1.00 42.52 C ATOM 1581 C TYR A 94 6.689 1.770 -4.811 1.00 73.20 C ATOM 1582 O TYR A 94 7.779 1.963 -4.267 1.00 63.02 O ATOM 1583 CB TYR A 94 4.637 1.319 -3.429 1.00 5.32 C ATOM 1584 CG TYR A 94 5.471 0.496 -2.463 1.00 33.45 C ATOM 1585 CD1 TYR A 94 5.985 1.087 -1.294 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.777 -0.843 -2.756 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.788 0.341 -0.405 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.577 -1.594 -1.878 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.099 -1.011 -0.702 1.00 54.02 C ATOM 1590 OH TYR A 94 7.873 -1.788 0.111 1.00 52.45 O ATOM 0 H TYR A 94 3.676 2.712 -5.247 1.00 62.42 H new ATOM 0 HA TYR A 94 5.782 3.115 -3.440 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.831 1.805 -2.880 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.172 0.653 -4.156 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.763 2.121 -1.075 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.396 -1.297 -3.659 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.164 0.798 0.498 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.795 -2.627 -2.105 1.00 73.21 H new ATOM 0 HH TYR A 94 7.961 -2.683 -0.279 1.00 52.45 H new ATOM 1600 N LYS A 95 6.560 1.092 -5.967 1.00 41.45 N ATOM 1601 CA LYS A 95 7.740 0.600 -6.683 1.00 54.30 C ATOM 1602 C LYS A 95 8.722 1.747 -6.871 1.00 22.23 C ATOM 1603 O LYS A 95 9.874 1.602 -6.494 1.00 35.23 O ATOM 1604 CB LYS A 95 7.415 -0.069 -8.038 1.00 32.21 C ATOM 1605 CG LYS A 95 7.282 -1.598 -7.924 1.00 61.25 C ATOM 1606 CD LYS A 95 7.334 -2.284 -9.302 1.00 54.15 C ATOM 1607 CE LYS A 95 7.378 -3.813 -9.144 1.00 22.41 C ATOM 1608 NZ LYS A 95 7.622 -4.504 -10.427 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.668 0.878 -6.413 1.00 41.45 H new ATOM 0 HA LYS A 95 8.183 -0.186 -6.071 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.486 0.345 -8.430 1.00 32.21 H new ATOM 0 HB3 LYS A 95 8.199 0.172 -8.756 1.00 32.21 H new ATOM 0 HG2 LYS A 95 8.083 -1.986 -7.295 1.00 61.25 H new ATOM 0 HG3 LYS A 95 6.342 -1.845 -7.431 1.00 61.25 H new ATOM 0 HD2 LYS A 95 6.461 -1.999 -9.889 1.00 54.15 H new ATOM 0 HD3 LYS A 95 8.213 -1.944 -9.851 1.00 54.15 H new ATOM 0 HE2 LYS A 95 8.162 -4.080 -8.436 1.00 22.41 H new ATOM 0 HE3 LYS A 95 6.435 -4.159 -8.721 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 7.643 -5.532 -10.269 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 6.861 -4.272 -11.097 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 8.534 -4.195 -10.820 1.00 12.11 H new ATOM 1622 N HIS A 96 8.287 2.898 -7.378 1.00 2.14 N ATOM 1623 CA HIS A 96 9.180 4.025 -7.617 1.00 2.00 C ATOM 1624 C HIS A 96 9.822 4.567 -6.331 1.00 64.43 C ATOM 1625 O HIS A 96 10.940 5.077 -6.361 1.00 42.32 O ATOM 1626 CB HIS A 96 8.426 5.135 -8.356 1.00 24.51 C ATOM 1627 CG HIS A 96 9.323 5.867 -9.314 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.872 7.114 -9.143 1.00 42.35 N ATOM 1629 CD2 HIS A 96 9.792 5.364 -10.496 1.00 62.44 C ATOM 1630 CE1 HIS A 96 10.657 7.358 -10.203 1.00 43.34 C ATOM 1631 NE2 HIS A 96 10.655 6.312 -11.046 1.00 62.31 N ATOM 0 H HIS A 96 7.315 3.073 -7.632 1.00 2.14 H new ATOM 0 HA HIS A 96 10.000 3.662 -8.236 1.00 2.00 H new ATOM 0 HB2 HIS A 96 7.585 4.705 -8.900 1.00 24.51 H new ATOM 0 HB3 HIS A 96 8.012 5.839 -7.633 1.00 24.51 H new ATOM 0 HD2 HIS A 96 9.540 4.406 -10.926 1.00 62.44 H new ATOM 0 HE1 HIS A 96 11.214 8.270 -10.358 1.00 43.34 H new ATOM 0 HE2 HIS A 96 11.181 6.228 -11.916 1.00 62.31 H new ATOM 1639 N ALA A 97 9.126 4.504 -5.194 1.00 74.32 N ATOM 1640 CA ALA A 97 9.688 4.896 -3.911 1.00 62.11 C ATOM 1641 C ALA A 97 10.861 3.979 -3.560 1.00 21.45 C ATOM 1642 O ALA A 97 11.983 4.464 -3.443 1.00 62.01 O ATOM 1643 CB ALA A 97 8.607 4.909 -2.824 1.00 12.11 C ATOM 0 H ALA A 97 8.160 4.180 -5.142 1.00 74.32 H new ATOM 0 HA ALA A 97 10.072 5.914 -3.978 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.051 5.205 -1.873 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.826 5.618 -3.096 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.175 3.913 -2.728 1.00 12.11 H new ATOM 1649 N ILE A 98 10.630 2.670 -3.430 1.00 4.01 N ATOM 1650 CA ILE A 98 11.700 1.745 -3.045 1.00 65.43 C ATOM 1651 C ILE A 98 12.805 1.686 -4.108 1.00 70.52 C ATOM 1652 O ILE A 98 13.991 1.635 -3.785 1.00 31.14 O ATOM 1653 CB ILE A 98 11.113 0.366 -2.685 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.196 -0.497 -2.011 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.439 -0.369 -3.855 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.645 -1.710 -1.257 1.00 25.45 C ATOM 0 H ILE A 98 9.723 2.230 -3.584 1.00 4.01 H new ATOM 0 HA ILE A 98 12.187 2.121 -2.145 1.00 65.43 H new ATOM 0 HB ILE A 98 10.299 0.547 -1.983 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.896 -0.842 -2.771 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.761 0.124 -1.316 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.056 -1.329 -3.509 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.616 0.234 -4.238 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.167 -0.534 -4.649 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.469 -2.266 -0.811 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.967 -1.374 -0.472 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.105 -2.355 -1.950 1.00 25.45 H new ATOM 1668 N LYS A 99 12.437 1.766 -5.386 1.00 65.44 N ATOM 1669 CA LYS A 99 13.402 1.803 -6.479 1.00 2.32 C ATOM 1670 C LYS A 99 14.243 3.080 -6.475 1.00 44.52 C ATOM 1671 O LYS A 99 15.374 3.000 -6.956 1.00 12.43 O ATOM 1672 CB LYS A 99 12.715 1.592 -7.835 1.00 70.12 C ATOM 1673 CG LYS A 99 12.203 0.153 -8.061 1.00 70.31 C ATOM 1674 CD LYS A 99 13.324 -0.871 -8.321 1.00 52.12 C ATOM 1675 CE LYS A 99 12.759 -2.293 -8.501 1.00 11.33 C ATOM 1676 NZ LYS A 99 12.179 -2.524 -9.845 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.464 1.807 -5.690 1.00 65.44 H new ATOM 0 HA LYS A 99 14.091 0.974 -6.317 1.00 2.32 H new ATOM 0 HB2 LYS A 99 11.876 2.283 -7.917 1.00 70.12 H new ATOM 0 HB3 LYS A 99 13.416 1.846 -8.630 1.00 70.12 H new ATOM 0 HG2 LYS A 99 11.632 -0.161 -7.187 1.00 70.31 H new ATOM 0 HG3 LYS A 99 11.517 0.150 -8.908 1.00 70.31 H new ATOM 0 HD2 LYS A 99 13.881 -0.584 -9.213 1.00 52.12 H new ATOM 0 HD3 LYS A 99 14.028 -0.861 -7.489 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.554 -3.018 -8.326 1.00 11.33 H new ATOM 0 HE3 LYS A 99 11.993 -2.471 -7.746 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 11.816 -3.497 -9.904 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 11.400 -1.854 -10.007 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 12.913 -2.384 -10.569 1.00 60.11 H new ATOM 1690 N LYS A 100 13.786 4.221 -5.922 1.00 42.13 N ATOM 1691 CA LYS A 100 14.659 5.382 -5.787 1.00 4.50 C ATOM 1692 C LYS A 100 15.759 5.001 -4.799 1.00 64.53 C ATOM 1693 O LYS A 100 16.928 5.262 -5.060 1.00 65.31 O ATOM 1694 CB LYS A 100 13.903 6.642 -5.331 1.00 23.44 C ATOM 1695 CG LYS A 100 13.895 7.144 -3.872 1.00 42.32 C ATOM 1696 CD LYS A 100 15.210 7.787 -3.367 1.00 74.15 C ATOM 1697 CE LYS A 100 15.757 8.835 -4.340 1.00 14.21 C ATOM 1698 NZ LYS A 100 17.122 9.301 -4.026 1.00 55.41 N1+ ATOM 0 H LYS A 100 12.837 4.354 -5.571 1.00 42.13 H new ATOM 0 HA LYS A 100 15.081 5.640 -6.758 1.00 4.50 H new ATOM 0 HB2 LYS A 100 14.282 7.465 -5.937 1.00 23.44 H new ATOM 0 HB3 LYS A 100 12.860 6.493 -5.611 1.00 23.44 H new ATOM 0 HG2 LYS A 100 13.093 7.874 -3.764 1.00 42.32 H new ATOM 0 HG3 LYS A 100 13.651 6.304 -3.221 1.00 42.32 H new ATOM 0 HD2 LYS A 100 15.035 8.252 -2.397 1.00 74.15 H new ATOM 0 HD3 LYS A 100 15.958 7.008 -3.217 1.00 74.15 H new ATOM 0 HE2 LYS A 100 15.751 8.417 -5.347 1.00 14.21 H new ATOM 0 HE3 LYS A 100 15.085 9.693 -4.347 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 17.418 10.007 -4.730 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 17.133 9.730 -3.079 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 17.778 8.494 -4.048 1.00 55.41 H new ATOM 1712 N ARG A 101 15.346 4.430 -3.661 1.00 13.00 N ATOM 1713 CA ARG A 101 16.203 4.099 -2.519 1.00 21.24 C ATOM 1714 C ARG A 101 17.336 3.199 -2.978 1.00 32.44 C ATOM 1715 O ARG A 101 18.497 3.559 -2.804 1.00 41.23 O ATOM 1716 CB ARG A 101 15.410 3.416 -1.387 1.00 43.10 C ATOM 1717 CG ARG A 101 14.310 4.284 -0.753 1.00 13.42 C ATOM 1718 CD ARG A 101 14.854 5.226 0.328 1.00 31.55 C ATOM 1719 NE ARG A 101 15.369 4.483 1.493 1.00 14.22 N ATOM 1720 CZ ARG A 101 16.208 4.954 2.426 1.00 32.10 C ATOM 1721 NH1 ARG A 101 16.690 6.186 2.346 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 16.564 4.187 3.442 1.00 74.22 N ATOM 0 H ARG A 101 14.370 4.177 -3.506 1.00 13.00 H new ATOM 0 HA ARG A 101 16.608 5.029 -2.120 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.954 2.507 -1.779 1.00 43.10 H new ATOM 0 HB3 ARG A 101 16.108 3.112 -0.607 1.00 43.10 H new ATOM 0 HG2 ARG A 101 13.823 4.872 -1.531 1.00 13.42 H new ATOM 0 HG3 ARG A 101 13.548 3.638 -0.317 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.650 5.840 -0.092 1.00 31.55 H new ATOM 0 HD3 ARG A 101 14.064 5.905 0.650 1.00 31.55 H new ATOM 0 HE ARG A 101 15.057 3.518 1.599 1.00 14.22 H new ATOM 0 HH11 ARG A 101 16.423 6.788 1.567 1.00 32.33 H new ATOM 0 HH12 ARG A 101 17.328 6.532 3.063 1.00 32.33 H new ATOM 0 HH21 ARG A 101 16.200 3.237 3.516 1.00 74.22 H new ATOM 0 HH22 ARG A 101 17.203 4.545 4.152 1.00 74.22 H new