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 :FLIP amide:sc= -0.0205 F(o=-1.4,f=-0.5) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.481 X(o=-0.5,f=-0.8) USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= 0.0681 USER MOD Set 2.2: A 64 ASN : amide:sc= 0 K(o=0.068,f=-0.91) USER MOD Set 3.1: A 56 THR OG1 : rot 67:sc= 1.23 USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 43 HIS : no HD1:sc= 0 X(o=0,f=0.18) USER MOD Set 4.2: A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 12 SER OG : rot 78:sc= 1.22 USER MOD Single : A 14 CYS SG : rot 124:sc= 0.69 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= -0.558 (180deg=-0.558) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0689) USER MOD Single : A 27 GLN : amide:sc= 1.02 K(o=1,f=-0.83) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.578 F(o=-2.8!,f=-0.58) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00452 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 50 LYS NZ :NH3+ -121:sc= 0.216 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.5) USER MOD Single : A 58 CYS SG : rot 90:sc= 0.075 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -97:sc= 0.0387 USER MOD Single : A 67 GLN : amide:sc= 0.621 K(o=0.62,f=-0.067) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0259) USER MOD Single : A 80 SER OG : rot 56:sc= 1.06 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.558 X(o=-0.56,f=-0.087) 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=-0.064) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -14.613 -6.199 -2.292 1.00 13.12 N ATOM 60 CA LEU A 6 -14.031 -7.493 -1.907 1.00 4.11 C ATOM 61 C LEU A 6 -15.085 -8.557 -1.549 1.00 45.43 C ATOM 62 O LEU A 6 -16.289 -8.295 -1.496 1.00 60.30 O ATOM 63 CB LEU A 6 -12.977 -7.270 -0.789 1.00 72.24 C ATOM 64 CG LEU A 6 -11.516 -7.119 -1.257 1.00 35.44 C ATOM 65 CD1 LEU A 6 -11.317 -6.220 -2.479 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.659 -6.530 -0.130 1.00 61.12 C ATOM 0 HA LEU A 6 -13.525 -7.912 -2.777 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.253 -6.376 -0.230 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -13.030 -8.109 -0.095 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.217 -8.130 -1.534 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -10.257 -6.177 -2.730 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.874 -6.625 -3.324 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -11.678 -5.216 -2.255 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.629 -6.428 -0.472 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -11.048 -5.551 0.149 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.690 -7.192 0.735 1.00 61.12 H new ATOM 78 N ASP A 7 -14.650 -9.806 -1.358 1.00 75.13 N ATOM 79 CA ASP A 7 -15.495 -10.843 -0.751 1.00 1.34 C ATOM 80 C ASP A 7 -15.688 -10.497 0.719 1.00 50.11 C ATOM 81 O ASP A 7 -14.838 -9.825 1.301 1.00 25.20 O ATOM 82 CB ASP A 7 -14.845 -12.230 -0.817 1.00 22.15 C ATOM 83 CG ASP A 7 -15.065 -12.930 -2.148 1.00 51.25 C ATOM 84 OD1 ASP A 7 -16.092 -13.625 -2.314 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -14.161 -12.851 -3.011 1.00 12.54 O ATOM 0 H ASP A 7 -13.716 -10.126 -1.615 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.436 -10.874 -1.300 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -13.774 -12.132 -0.638 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -15.246 -12.851 -0.016 1.00 22.15 H new ATOM 90 N GLN A 8 -16.750 -11.020 1.338 1.00 35.03 N ATOM 91 CA GLN A 8 -17.112 -10.709 2.719 1.00 31.00 C ATOM 92 C GLN A 8 -15.937 -10.906 3.689 1.00 15.44 C ATOM 93 O GLN A 8 -15.589 -9.987 4.435 1.00 42.40 O ATOM 94 CB GLN A 8 -18.377 -11.488 3.127 1.00 11.40 C ATOM 95 CG GLN A 8 -18.275 -13.025 3.089 1.00 73.15 C ATOM 96 CD GLN A 8 -19.643 -13.651 3.331 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.055 -13.864 4.468 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.401 -13.894 2.279 1.00 23.44 N ATOM 0 H GLN A 8 -17.387 -11.677 0.888 1.00 35.03 H new ATOM 0 HA GLN A 8 -17.352 -9.648 2.780 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.652 -11.188 4.138 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -19.193 -11.183 2.471 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -17.886 -13.347 2.123 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -17.571 -13.369 3.847 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.045 -13.712 1.341 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.343 -14.264 2.404 1.00 23.44 H new ATOM 107 N LYS A 9 -15.288 -12.074 3.650 1.00 54.03 N ATOM 108 CA LYS A 9 -14.125 -12.362 4.481 1.00 31.31 C ATOM 109 C LYS A 9 -12.981 -11.431 4.126 1.00 71.23 C ATOM 110 O LYS A 9 -12.432 -10.797 5.014 1.00 2.24 O ATOM 111 CB LYS A 9 -13.668 -13.812 4.314 1.00 54.31 C ATOM 112 CG LYS A 9 -14.521 -14.802 5.114 1.00 72.00 C ATOM 113 CD LYS A 9 -13.951 -16.200 4.861 1.00 23.34 C ATOM 114 CE LYS A 9 -14.431 -17.250 5.860 1.00 1.24 C ATOM 115 NZ LYS A 9 -13.975 -18.596 5.458 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.558 -12.845 3.039 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.415 -12.206 5.520 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.704 -14.080 3.258 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.628 -13.899 4.629 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -14.493 -14.562 6.177 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.564 -14.750 4.803 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.225 -16.517 3.855 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -12.863 -16.150 4.895 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -14.052 -17.014 6.854 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -15.519 -17.232 5.921 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -14.311 -19.297 6.149 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.357 -18.826 4.518 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -12.936 -18.614 5.423 1.00 21.22 H new ATOM 129 N THR A 10 -12.606 -11.348 2.855 1.00 74.25 N ATOM 130 CA THR A 10 -11.457 -10.581 2.399 1.00 13.54 C ATOM 131 C THR A 10 -11.562 -9.119 2.853 1.00 52.52 C ATOM 132 O THR A 10 -10.602 -8.566 3.390 1.00 61.23 O ATOM 133 CB THR A 10 -11.364 -10.744 0.876 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.522 -12.114 0.564 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.024 -10.277 0.318 1.00 21.15 C ATOM 0 H THR A 10 -13.102 -11.821 2.100 1.00 74.25 H new ATOM 0 HA THR A 10 -10.533 -10.951 2.843 1.00 13.54 H new ATOM 0 HB THR A 10 -12.144 -10.129 0.428 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.467 -12.237 -0.407 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.012 -10.415 -0.763 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.881 -9.222 0.551 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.220 -10.860 0.767 1.00 21.15 H new ATOM 143 N PHE A 11 -12.740 -8.519 2.682 1.00 2.31 N ATOM 144 CA PHE A 11 -13.089 -7.186 3.144 1.00 54.43 C ATOM 145 C PHE A 11 -12.944 -7.063 4.663 1.00 2.41 C ATOM 146 O PHE A 11 -12.408 -6.078 5.167 1.00 32.02 O ATOM 147 CB PHE A 11 -14.530 -6.913 2.705 1.00 25.32 C ATOM 148 CG PHE A 11 -14.982 -5.491 2.928 1.00 64.11 C ATOM 149 CD1 PHE A 11 -14.423 -4.442 2.174 1.00 71.24 C ATOM 150 CD2 PHE A 11 -15.941 -5.211 3.914 1.00 32.05 C ATOM 151 CE1 PHE A 11 -14.799 -3.113 2.431 1.00 72.32 C ATOM 152 CE2 PHE A 11 -16.330 -3.886 4.153 1.00 20.31 C ATOM 153 CZ PHE A 11 -15.752 -2.836 3.426 1.00 65.24 C ATOM 0 H PHE A 11 -13.510 -8.976 2.193 1.00 2.31 H new ATOM 0 HA PHE A 11 -12.411 -6.450 2.711 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.628 -7.152 1.646 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -15.197 -7.584 3.246 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.705 -4.659 1.397 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -16.378 -6.015 4.487 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -14.357 -2.306 1.865 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -17.079 -3.673 4.901 1.00 20.31 H new ATOM 0 HZ PHE A 11 -16.039 -1.815 3.630 1.00 65.24 H new ATOM 163 N SER A 12 -13.411 -8.065 5.401 1.00 52.41 N ATOM 164 CA SER A 12 -13.264 -8.120 6.851 1.00 3.30 C ATOM 165 C SER A 12 -11.781 -8.189 7.266 1.00 51.11 C ATOM 166 O SER A 12 -11.372 -7.542 8.233 1.00 3.04 O ATOM 167 CB SER A 12 -14.061 -9.302 7.403 1.00 34.53 C ATOM 168 OG SER A 12 -15.409 -9.222 6.974 1.00 33.32 O ATOM 0 H SER A 12 -13.905 -8.866 5.008 1.00 52.41 H new ATOM 0 HA SER A 12 -13.664 -7.201 7.280 1.00 3.30 H new ATOM 0 HB2 SER A 12 -13.618 -10.239 7.065 1.00 34.53 H new ATOM 0 HB3 SER A 12 -14.017 -9.304 8.492 1.00 34.53 H new ATOM 0 HG SER A 12 -15.474 -9.518 6.042 1.00 33.32 H new ATOM 174 N ILE A 13 -10.975 -8.965 6.537 1.00 45.32 N ATOM 175 CA ILE A 13 -9.576 -9.252 6.815 1.00 14.50 C ATOM 176 C ILE A 13 -8.735 -7.993 6.615 1.00 34.12 C ATOM 177 O ILE A 13 -7.927 -7.701 7.495 1.00 34.35 O ATOM 178 CB ILE A 13 -9.096 -10.471 5.991 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.738 -11.763 6.556 1.00 24.34 C ATOM 180 CG2 ILE A 13 -7.559 -10.620 6.012 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.705 -12.949 5.583 1.00 3.22 C ATOM 0 H ILE A 13 -11.304 -9.433 5.692 1.00 45.32 H new ATOM 0 HA ILE A 13 -9.453 -9.538 7.860 1.00 14.50 H new ATOM 0 HB ILE A 13 -9.403 -10.309 4.958 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -9.220 -12.043 7.473 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.774 -11.555 6.825 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -7.270 -11.489 5.421 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -7.101 -9.725 5.591 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -7.220 -10.752 7.040 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.172 -13.816 6.050 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -10.248 -12.689 4.674 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.671 -13.185 5.332 1.00 3.22 H new ATOM 193 N CYS A 14 -8.891 -7.229 5.525 1.00 42.43 N ATOM 194 CA CYS A 14 -8.087 -6.013 5.354 1.00 71.02 C ATOM 195 C CYS A 14 -8.185 -5.007 6.503 1.00 75.44 C ATOM 196 O CYS A 14 -7.145 -4.490 6.910 1.00 53.24 O ATOM 197 CB CYS A 14 -8.244 -5.374 3.977 1.00 61.45 C ATOM 198 SG CYS A 14 -9.957 -5.314 3.390 1.00 44.54 S ATOM 0 H CYS A 14 -9.547 -7.424 4.769 1.00 42.43 H new ATOM 0 HA CYS A 14 -7.058 -6.369 5.404 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.845 -4.360 4.010 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.643 -5.930 3.258 1.00 61.45 H new ATOM 0 HG CYS A 14 -10.277 -4.085 3.111 1.00 44.54 H new ATOM 204 N LYS A 15 -9.373 -4.787 7.075 1.00 61.20 N ATOM 205 CA LYS A 15 -9.520 -3.949 8.278 1.00 71.41 C ATOM 206 C LYS A 15 -8.571 -4.392 9.396 1.00 64.32 C ATOM 207 O LYS A 15 -7.994 -3.549 10.083 1.00 53.44 O ATOM 208 CB LYS A 15 -10.940 -4.039 8.869 1.00 2.12 C ATOM 209 CG LYS A 15 -12.066 -3.451 8.013 1.00 72.43 C ATOM 210 CD LYS A 15 -13.353 -4.285 8.114 1.00 54.23 C ATOM 211 CE LYS A 15 -13.942 -4.399 9.535 1.00 22.04 C ATOM 212 NZ LYS A 15 -15.048 -5.386 9.610 1.00 53.52 N1+ ATOM 0 H LYS A 15 -10.249 -5.176 6.727 1.00 61.20 H new ATOM 0 HA LYS A 15 -9.296 -2.934 7.949 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -11.166 -5.088 9.059 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.943 -3.532 9.834 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -12.269 -2.429 8.332 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.745 -3.403 6.973 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -14.105 -3.846 7.458 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -13.149 -5.288 7.739 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -13.154 -4.687 10.230 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -14.307 -3.423 9.854 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -15.411 -5.427 10.584 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -15.813 -5.099 8.967 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -14.696 -6.324 9.332 1.00 53.52 H new ATOM 226 N GLU A 16 -8.463 -5.704 9.625 1.00 32.01 N ATOM 227 CA GLU A 16 -7.581 -6.271 10.641 1.00 34.41 C ATOM 228 C GLU A 16 -6.122 -6.181 10.179 1.00 35.03 C ATOM 229 O GLU A 16 -5.228 -5.939 10.979 1.00 3.44 O ATOM 230 CB GLU A 16 -7.921 -7.754 10.871 1.00 11.31 C ATOM 231 CG GLU A 16 -9.306 -8.102 11.424 1.00 11.31 C ATOM 232 CD GLU A 16 -9.484 -7.675 12.877 1.00 44.31 C ATOM 233 OE1 GLU A 16 -9.847 -6.505 13.094 1.00 55.10 O1- ATOM 234 OE2 GLU A 16 -9.312 -8.542 13.775 1.00 73.22 O ATOM 0 H GLU A 16 -8.991 -6.405 9.105 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.719 -5.708 11.564 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.802 -8.274 9.921 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -7.177 -8.164 11.554 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -10.069 -7.620 10.812 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -9.465 -9.177 11.344 1.00 11.31 H new ATOM 241 N ARG A 17 -5.846 -6.430 8.895 1.00 63.14 N ATOM 242 CA ARG A 17 -4.480 -6.544 8.391 1.00 23.14 C ATOM 243 C ARG A 17 -3.786 -5.189 8.443 1.00 53.13 C ATOM 244 O ARG A 17 -2.630 -5.113 8.852 1.00 22.52 O ATOM 245 CB ARG A 17 -4.463 -7.137 6.969 1.00 51.25 C ATOM 246 CG ARG A 17 -3.459 -8.290 6.791 1.00 12.51 C ATOM 247 CD ARG A 17 -3.845 -9.597 7.507 1.00 23.13 C ATOM 248 NE ARG A 17 -2.947 -9.883 8.639 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.338 -11.043 8.919 1.00 41.23 C ATOM 250 NH1 ARG A 17 -2.709 -12.179 8.336 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -1.348 -11.065 9.799 1.00 54.34 N ATOM 0 H ARG A 17 -6.563 -6.557 8.181 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.927 -7.231 9.032 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -5.462 -7.496 6.723 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -4.224 -6.346 6.258 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -3.347 -8.495 5.726 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -2.485 -7.965 7.157 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -4.872 -9.526 7.866 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -3.812 -10.424 6.798 1.00 23.13 H new ATOM 0 HE ARG A 17 -2.769 -9.111 9.282 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -3.472 -12.179 7.659 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -2.230 -13.050 8.565 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -1.054 -10.203 10.258 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -0.879 -11.944 10.018 1.00 54.34 H new ATOM 265 N MET A 18 -4.470 -4.112 8.063 1.00 71.35 N ATOM 266 CA MET A 18 -3.945 -2.749 8.025 1.00 21.12 C ATOM 267 C MET A 18 -3.846 -2.131 9.438 1.00 10.24 C ATOM 268 O MET A 18 -4.089 -0.941 9.618 1.00 60.01 O ATOM 269 CB MET A 18 -4.849 -1.937 7.072 1.00 35.41 C ATOM 270 CG MET A 18 -4.091 -1.069 6.060 1.00 63.51 C ATOM 271 SD MET A 18 -3.749 -1.847 4.454 1.00 62.02 S ATOM 272 CE MET A 18 -2.498 -3.083 4.879 1.00 72.55 C ATOM 0 H MET A 18 -5.443 -4.167 7.761 1.00 71.35 H new ATOM 0 HA MET A 18 -2.922 -2.741 7.649 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.494 -2.627 6.528 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.499 -1.295 7.667 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.666 -0.159 5.887 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.143 -0.767 6.506 1.00 63.51 H new ATOM 0 HE1 MET A 18 -2.205 -3.627 3.981 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.625 -2.586 5.303 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.909 -3.781 5.609 1.00 72.55 H new ATOM 282 N ARG A 19 -3.501 -2.913 10.464 1.00 70.53 N ATOM 283 CA ARG A 19 -3.502 -2.531 11.873 1.00 32.31 C ATOM 284 C ARG A 19 -2.335 -1.589 12.138 1.00 1.35 C ATOM 285 O ARG A 19 -2.592 -0.473 12.591 1.00 33.22 O ATOM 286 CB ARG A 19 -3.476 -3.797 12.773 1.00 55.31 C ATOM 287 CG ARG A 19 -4.843 -4.118 13.422 1.00 70.22 C ATOM 288 CD ARG A 19 -4.971 -3.837 14.926 1.00 11.33 C ATOM 289 NE ARG A 19 -4.339 -2.581 15.356 1.00 22.22 N ATOM 290 CZ ARG A 19 -3.168 -2.460 15.994 1.00 44.22 C ATOM 291 NH1 ARG A 19 -2.423 -3.515 16.298 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -2.740 -1.246 16.304 1.00 44.53 N ATOM 0 H ARG A 19 -3.199 -3.877 10.324 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.418 -1.995 12.121 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.156 -4.651 12.176 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -2.733 -3.660 13.558 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.610 -3.545 12.902 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.062 -5.172 13.252 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -6.028 -3.809 15.191 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -4.525 -4.664 15.479 1.00 11.33 H new ATOM 0 HE ARG A 19 -4.841 -1.718 15.148 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -2.738 -4.452 16.045 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -1.535 -3.389 16.785 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -3.299 -0.430 16.057 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -1.851 -1.127 16.790 1.00 44.53 H new ATOM 306 N PRO A 20 -1.078 -1.965 11.832 1.00 55.23 N ATOM 307 CA PRO A 20 0.063 -1.119 12.136 1.00 5.31 C ATOM 308 C PRO A 20 0.033 0.189 11.355 1.00 5.24 C ATOM 309 O PRO A 20 0.335 1.244 11.906 1.00 22.40 O ATOM 310 CB PRO A 20 1.286 -1.957 11.775 1.00 24.21 C ATOM 311 CG PRO A 20 0.804 -3.016 10.809 1.00 41.52 C ATOM 312 CD PRO A 20 -0.622 -3.236 11.278 1.00 62.13 C ATOM 0 HA PRO A 20 0.067 -0.820 13.184 1.00 5.31 H new ATOM 0 HB2 PRO A 20 2.060 -1.339 11.320 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.722 -2.412 12.664 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.846 -2.676 9.774 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.400 -3.927 10.870 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.258 -3.549 10.450 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.666 -4.024 12.029 1.00 62.13 H new ATOM 320 N VAL A 21 -0.364 0.132 10.084 1.00 53.43 N ATOM 321 CA VAL A 21 -0.323 1.237 9.133 1.00 65.33 C ATOM 322 C VAL A 21 -1.691 1.925 8.989 1.00 34.13 C ATOM 323 O VAL A 21 -1.904 2.646 8.018 1.00 65.24 O ATOM 324 CB VAL A 21 0.274 0.744 7.787 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.797 0.623 7.886 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.291 -0.611 7.330 1.00 41.14 C ATOM 0 H VAL A 21 -0.739 -0.723 9.674 1.00 53.43 H new ATOM 0 HA VAL A 21 0.338 2.015 9.515 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.009 1.493 7.048 1.00 4.30 H new ATOM 0 HG11 VAL A 21 2.197 0.276 6.933 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.224 1.596 8.126 1.00 52.03 H new ATOM 0 HG13 VAL A 21 2.055 -0.090 8.669 1.00 52.03 H new ATOM 0 HG21 VAL A 21 0.168 -0.896 6.384 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.072 -1.369 8.082 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.370 -0.530 7.200 1.00 41.14 H new ATOM 336 N LYS A 22 -2.634 1.745 9.924 1.00 4.01 N ATOM 337 CA LYS A 22 -3.972 2.338 9.810 1.00 52.15 C ATOM 338 C LYS A 22 -3.920 3.864 9.648 1.00 32.24 C ATOM 339 O LYS A 22 -4.677 4.418 8.850 1.00 35.14 O ATOM 340 CB LYS A 22 -4.870 1.958 11.004 1.00 14.31 C ATOM 341 CG LYS A 22 -6.341 1.997 10.553 1.00 51.24 C ATOM 342 CD LYS A 22 -7.371 2.303 11.648 1.00 4.42 C ATOM 343 CE LYS A 22 -7.566 1.167 12.655 1.00 30.13 C ATOM 344 NZ LYS A 22 -8.829 1.359 13.400 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.493 1.192 10.769 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.412 1.921 8.904 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.613 0.963 11.367 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -4.711 2.650 11.831 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.440 2.747 9.768 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.589 1.034 10.107 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -7.061 3.200 12.184 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -8.329 2.527 11.179 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -7.583 0.209 12.135 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -6.726 1.138 13.349 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -8.952 0.583 14.081 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -8.797 2.265 13.910 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -9.628 1.365 12.734 1.00 62.13 H new ATOM 358 N ALA A 23 -3.025 4.539 10.374 1.00 3.10 N ATOM 359 CA ALA A 23 -2.790 5.965 10.208 1.00 60.23 C ATOM 360 C ALA A 23 -2.266 6.254 8.807 1.00 22.25 C ATOM 361 O ALA A 23 -2.800 7.130 8.147 1.00 61.41 O ATOM 362 CB ALA A 23 -1.817 6.500 11.263 1.00 13.54 C ATOM 0 H ALA A 23 -2.445 4.106 11.093 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.742 6.479 10.344 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.665 7.568 11.109 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -2.230 6.332 12.258 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.863 5.981 11.174 1.00 13.54 H new ATOM 368 N ALA A 24 -1.252 5.519 8.334 1.00 33.30 N ATOM 369 CA ALA A 24 -0.666 5.750 7.016 1.00 54.32 C ATOM 370 C ALA A 24 -1.706 5.568 5.904 1.00 25.33 C ATOM 371 O ALA A 24 -1.733 6.354 4.966 1.00 41.25 O ATOM 372 CB ALA A 24 0.545 4.836 6.798 1.00 1.31 C ATOM 0 H ALA A 24 -0.820 4.754 8.853 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.323 6.784 6.975 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.968 5.022 5.811 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.297 5.041 7.560 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.232 3.794 6.868 1.00 1.31 H new ATOM 378 N LEU A 25 -2.595 4.576 6.022 1.00 62.25 N ATOM 379 CA LEU A 25 -3.733 4.400 5.143 1.00 63.42 C ATOM 380 C LEU A 25 -4.607 5.654 5.161 1.00 64.02 C ATOM 381 O LEU A 25 -4.898 6.204 4.106 1.00 34.33 O ATOM 382 CB LEU A 25 -4.491 3.160 5.632 1.00 1.32 C ATOM 383 CG LEU A 25 -5.803 2.880 4.885 1.00 2.24 C ATOM 384 CD1 LEU A 25 -5.526 2.108 3.600 1.00 2.21 C ATOM 385 CD2 LEU A 25 -6.703 2.071 5.820 1.00 60.44 C ATOM 0 H LEU A 25 -2.533 3.864 6.749 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.423 4.253 4.108 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.840 2.291 5.536 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -4.710 3.279 6.693 1.00 1.32 H new ATOM 0 HG LEU A 25 -6.293 3.813 4.606 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -6.465 1.917 3.081 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -4.869 2.695 2.958 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -5.045 1.160 3.842 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -7.647 1.854 5.319 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -6.208 1.136 6.082 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -6.897 2.646 6.726 1.00 60.44 H new ATOM 397 N LYS A 26 -5.063 6.097 6.339 1.00 54.00 N ATOM 398 CA LYS A 26 -5.965 7.247 6.405 1.00 74.52 C ATOM 399 C LYS A 26 -5.278 8.545 5.973 1.00 13.22 C ATOM 400 O LYS A 26 -5.941 9.400 5.402 1.00 65.43 O ATOM 401 CB LYS A 26 -6.617 7.352 7.792 1.00 21.25 C ATOM 402 CG LYS A 26 -7.696 8.449 7.778 1.00 45.03 C ATOM 403 CD LYS A 26 -8.849 8.192 8.750 1.00 54.44 C ATOM 404 CE LYS A 26 -9.975 9.175 8.411 1.00 30.32 C ATOM 405 NZ LYS A 26 -11.190 8.898 9.202 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.827 5.685 7.241 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.767 7.084 5.685 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -7.061 6.396 8.069 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -5.861 7.582 8.543 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.233 9.405 8.023 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.097 8.539 6.768 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -9.200 7.164 8.663 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.519 8.330 9.780 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -9.640 10.194 8.602 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -10.209 9.110 7.348 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -11.877 9.666 9.064 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -11.609 7.999 8.891 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -10.941 8.834 10.210 1.00 3.34 H new ATOM 419 N GLN A 27 -3.965 8.679 6.165 1.00 44.31 N ATOM 420 CA GLN A 27 -3.164 9.812 5.715 1.00 45.20 C ATOM 421 C GLN A 27 -3.259 10.041 4.204 1.00 75.11 C ATOM 422 O GLN A 27 -2.965 11.151 3.761 1.00 3.23 O ATOM 423 CB GLN A 27 -1.696 9.602 6.108 1.00 63.33 C ATOM 424 CG GLN A 27 -1.432 10.042 7.552 1.00 62.13 C ATOM 425 CD GLN A 27 -1.216 11.544 7.710 1.00 71.01 C ATOM 426 OE1 GLN A 27 -1.317 12.335 6.772 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.882 11.970 8.915 1.00 1.20 N ATOM 0 H GLN A 27 -3.413 7.975 6.656 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.565 10.699 6.205 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.435 8.550 5.994 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.053 10.165 5.432 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.274 9.738 8.174 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.553 9.517 7.927 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.801 11.307 9.686 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -0.705 12.962 9.074 1.00 1.20 H new ATOM 436 N LEU A 28 -3.633 9.029 3.416 1.00 32.11 N ATOM 437 CA LEU A 28 -3.800 9.180 1.979 1.00 1.43 C ATOM 438 C LEU A 28 -5.205 9.693 1.633 1.00 13.42 C ATOM 439 O LEU A 28 -5.326 10.479 0.688 1.00 2.11 O ATOM 440 CB LEU A 28 -3.457 7.857 1.265 1.00 33.02 C ATOM 441 CG LEU A 28 -2.023 7.815 0.698 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.950 7.866 1.794 1.00 34.30 C ATOM 443 CD2 LEU A 28 -1.828 6.532 -0.123 1.00 62.12 C ATOM 0 H LEU A 28 -3.826 8.088 3.760 1.00 32.11 H new ATOM 0 HA LEU A 28 -3.103 9.937 1.618 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.586 7.032 1.965 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -4.165 7.699 0.452 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.905 8.700 0.073 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.039 7.833 1.337 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -1.056 8.789 2.364 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.070 7.012 2.461 1.00 34.30 H new ATOM 0 HD21 LEU A 28 -0.814 6.506 -0.522 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.989 5.663 0.515 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -2.542 6.515 -0.946 1.00 62.12 H new ATOM 455 N ASP A 29 -6.262 9.300 2.361 1.00 4.35 N ATOM 456 CA ASP A 29 -7.626 9.714 2.004 1.00 23.20 C ATOM 457 C ASP A 29 -7.942 11.051 2.678 1.00 70.54 C ATOM 458 O ASP A 29 -8.614 11.910 2.114 1.00 54.23 O ATOM 459 CB ASP A 29 -8.693 8.673 2.392 1.00 44.14 C ATOM 460 CG ASP A 29 -9.623 9.002 3.564 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.661 9.657 3.301 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -9.425 8.523 4.698 1.00 42.44 O ATOM 0 H ASP A 29 -6.200 8.705 3.188 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.660 9.811 0.919 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -9.313 8.487 1.515 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -8.181 7.739 2.624 1.00 44.14 H new ATOM 467 N ARG A 30 -7.433 11.229 3.894 1.00 1.15 N ATOM 468 CA ARG A 30 -7.538 12.412 4.740 1.00 60.23 C ATOM 469 C ARG A 30 -6.156 12.726 5.336 1.00 21.12 C ATOM 470 O ARG A 30 -5.885 12.329 6.477 1.00 42.23 O ATOM 471 CB ARG A 30 -8.626 12.197 5.802 1.00 12.30 C ATOM 472 CG ARG A 30 -10.011 12.552 5.249 1.00 32.22 C ATOM 473 CD ARG A 30 -11.150 12.045 6.141 1.00 61.42 C ATOM 474 NE ARG A 30 -11.655 10.753 5.654 1.00 74.33 N ATOM 475 CZ ARG A 30 -12.777 10.142 6.035 1.00 54.25 C ATOM 476 NH1 ARG A 30 -13.372 10.483 7.170 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -13.313 9.180 5.302 1.00 42.22 N ATOM 0 H ARG A 30 -6.894 10.491 4.348 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.844 13.282 4.159 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -8.617 11.158 6.131 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -8.412 12.811 6.677 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -10.090 13.634 5.145 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -10.119 12.127 4.251 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -10.796 11.940 7.167 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -11.959 12.775 6.156 1.00 61.42 H new ATOM 0 HE ARG A 30 -11.089 10.275 4.953 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -12.971 11.216 7.756 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -14.230 10.013 7.457 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -12.867 8.895 4.430 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -14.172 8.723 5.609 1.00 42.22 H new ATOM 491 N PRO A 31 -5.296 13.450 4.591 1.00 42.22 N ATOM 492 CA PRO A 31 -4.027 14.000 5.079 1.00 54.35 C ATOM 493 C PRO A 31 -4.256 15.058 6.170 1.00 4.11 C ATOM 494 O PRO A 31 -5.364 15.222 6.691 1.00 74.21 O ATOM 495 CB PRO A 31 -3.338 14.567 3.826 1.00 32.13 C ATOM 496 CG PRO A 31 -4.494 14.939 2.913 1.00 42.02 C ATOM 497 CD PRO A 31 -5.488 13.821 3.190 1.00 44.54 C ATOM 0 HA PRO A 31 -3.403 13.248 5.561 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -2.723 15.434 4.066 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.683 13.830 3.362 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -4.905 15.919 3.154 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -4.194 14.968 1.866 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -6.510 14.154 3.011 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.311 12.970 2.533 1.00 44.54 H new ATOM 505 N GLU A 32 -3.213 15.797 6.547 1.00 1.13 N ATOM 506 CA GLU A 32 -3.308 16.954 7.439 1.00 30.44 C ATOM 507 C GLU A 32 -2.781 18.220 6.753 1.00 4.33 C ATOM 508 O GLU A 32 -2.590 18.245 5.533 1.00 30.13 O ATOM 509 CB GLU A 32 -2.630 16.644 8.784 1.00 33.11 C ATOM 510 CG GLU A 32 -1.104 16.775 8.764 1.00 14.44 C ATOM 511 CD GLU A 32 -0.494 15.868 9.825 1.00 31.31 C ATOM 512 OE1 GLU A 32 -0.218 14.684 9.524 1.00 41.22 O ATOM 513 OE2 GLU A 32 -0.441 16.298 10.999 1.00 23.13 O1- ATOM 0 H GLU A 32 -2.261 15.605 6.236 1.00 1.13 H new ATOM 0 HA GLU A 32 -4.355 17.159 7.663 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -3.031 17.315 9.543 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -2.892 15.630 9.085 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -0.720 16.508 7.780 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -0.816 17.810 8.948 1.00 14.44 H new ATOM 520 N LYS A 33 -2.640 19.298 7.529 1.00 52.24 N ATOM 521 CA LYS A 33 -2.283 20.628 7.064 1.00 32.14 C ATOM 522 C LYS A 33 -1.465 21.442 8.069 1.00 2.41 C ATOM 523 O LYS A 33 -1.227 22.625 7.842 1.00 0.40 O ATOM 524 CB LYS A 33 -3.569 21.353 6.630 1.00 62.42 C ATOM 525 CG LYS A 33 -4.580 21.662 7.751 1.00 63.41 C ATOM 526 CD LYS A 33 -5.679 22.607 7.240 1.00 51.51 C ATOM 527 CE LYS A 33 -6.787 22.897 8.265 1.00 43.22 C ATOM 528 NZ LYS A 33 -7.723 21.761 8.424 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.779 19.259 8.539 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.612 20.520 6.212 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -3.290 22.291 6.151 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -4.068 20.746 5.875 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -5.027 20.735 8.111 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -4.066 22.117 8.597 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -5.221 23.550 6.940 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -6.130 22.173 6.347 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -6.334 23.128 9.229 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -7.343 23.781 7.954 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -8.451 22.006 9.125 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -8.177 21.555 7.511 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -7.200 20.922 8.747 1.00 43.21 H new ATOM 542 N GLY A 34 -1.060 20.842 9.190 1.00 62.23 N ATOM 543 CA GLY A 34 -0.467 21.550 10.323 1.00 43.33 C ATOM 544 C GLY A 34 1.038 21.352 10.444 1.00 1.12 C ATOM 545 O GLY A 34 1.583 21.600 11.515 1.00 35.04 O ATOM 0 H GLY A 34 -1.137 19.836 9.337 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -0.679 22.615 10.227 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.945 21.212 11.243 1.00 43.33 H new ATOM 549 N LEU A 35 1.709 20.904 9.381 1.00 20.30 N ATOM 550 CA LEU A 35 3.151 20.728 9.320 1.00 75.01 C ATOM 551 C LEU A 35 3.687 21.792 8.353 1.00 50.32 C ATOM 552 O LEU A 35 2.929 22.614 7.828 1.00 62.14 O ATOM 553 CB LEU A 35 3.451 19.286 8.837 1.00 30.55 C ATOM 554 CG LEU A 35 3.545 18.203 9.930 1.00 75.10 C ATOM 555 CD1 LEU A 35 2.384 18.217 10.922 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.545 16.823 9.263 1.00 10.10 C ATOM 0 H LEU A 35 1.242 20.646 8.512 1.00 20.30 H new ATOM 0 HA LEU A 35 3.634 20.853 10.289 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.673 18.993 8.132 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.392 19.299 8.287 1.00 30.55 H new ATOM 0 HG LEU A 35 4.461 18.413 10.482 1.00 75.10 H new ATOM 0 HD11 LEU A 35 2.525 17.426 11.658 1.00 74.41 H new ATOM 0 HD12 LEU A 35 2.350 19.182 11.428 1.00 74.41 H new ATOM 0 HD13 LEU A 35 1.448 18.054 10.388 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.611 16.049 10.028 1.00 10.10 H new ATOM 0 HD22 LEU A 35 2.624 16.694 8.695 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.400 16.743 8.591 1.00 10.10 H new ATOM 568 N SER A 36 4.987 21.730 8.103 1.00 13.30 N ATOM 569 CA SER A 36 5.700 22.468 7.090 1.00 21.20 C ATOM 570 C SER A 36 5.380 21.896 5.700 1.00 65.31 C ATOM 571 O SER A 36 4.822 20.805 5.565 1.00 60.15 O ATOM 572 CB SER A 36 7.196 22.424 7.431 1.00 50.44 C ATOM 573 OG SER A 36 8.032 23.096 6.508 1.00 62.23 O ATOM 0 H SER A 36 5.604 21.122 8.641 1.00 13.30 H new ATOM 0 HA SER A 36 5.389 23.512 7.067 1.00 21.20 H new ATOM 0 HB2 SER A 36 7.343 22.861 8.419 1.00 50.44 H new ATOM 0 HB3 SER A 36 7.510 21.382 7.494 1.00 50.44 H new ATOM 0 HG SER A 36 8.965 23.022 6.798 1.00 62.23 H new ATOM 579 N GLU A 37 5.828 22.604 4.666 1.00 43.12 N ATOM 580 CA GLU A 37 5.637 22.240 3.265 1.00 23.33 C ATOM 581 C GLU A 37 6.351 20.926 2.976 1.00 0.42 C ATOM 582 O GLU A 37 5.805 20.020 2.348 1.00 53.05 O ATOM 583 CB GLU A 37 6.278 23.267 2.318 1.00 4.24 C ATOM 584 CG GLU A 37 5.647 24.655 2.240 1.00 51.34 C ATOM 585 CD GLU A 37 6.347 25.411 1.106 1.00 10.03 C ATOM 586 OE1 GLU A 37 7.543 25.754 1.267 1.00 20.55 O ATOM 587 OE2 GLU A 37 5.755 25.537 0.009 1.00 32.52 O1- ATOM 0 H GLU A 37 6.349 23.473 4.784 1.00 43.12 H new ATOM 0 HA GLU A 37 4.561 22.182 3.102 1.00 23.33 H new ATOM 0 HB2 GLU A 37 7.320 23.389 2.613 1.00 4.24 H new ATOM 0 HB3 GLU A 37 6.278 22.842 1.314 1.00 4.24 H new ATOM 0 HG2 GLU A 37 4.577 24.580 2.048 1.00 51.34 H new ATOM 0 HG3 GLU A 37 5.765 25.185 3.185 1.00 51.34 H new ATOM 594 N ARG A 38 7.626 20.861 3.367 1.00 21.15 N ATOM 595 CA ARG A 38 8.546 19.839 2.899 1.00 61.30 C ATOM 596 C ARG A 38 8.488 18.644 3.832 1.00 25.54 C ATOM 597 O ARG A 38 8.632 17.517 3.371 1.00 2.34 O ATOM 598 CB ARG A 38 9.937 20.466 2.801 1.00 12.35 C ATOM 599 CG ARG A 38 10.923 19.645 1.951 1.00 63.40 C ATOM 600 CD ARG A 38 11.904 20.605 1.260 1.00 71.42 C ATOM 601 NE ARG A 38 13.127 19.943 0.778 1.00 64.41 N ATOM 602 CZ ARG A 38 14.135 20.588 0.181 1.00 71.50 C ATOM 603 NH1 ARG A 38 13.973 21.824 -0.284 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 15.312 19.986 0.067 1.00 51.23 N ATOM 0 H ARG A 38 8.045 21.523 4.021 1.00 21.15 H new ATOM 0 HA ARG A 38 8.276 19.470 1.910 1.00 61.30 H new ATOM 0 HB2 ARG A 38 9.847 21.465 2.375 1.00 12.35 H new ATOM 0 HB3 ARG A 38 10.345 20.583 3.805 1.00 12.35 H new ATOM 0 HG2 ARG A 38 11.466 18.939 2.580 1.00 63.40 H new ATOM 0 HG3 ARG A 38 10.383 19.059 1.208 1.00 63.40 H new ATOM 0 HD2 ARG A 38 11.402 21.082 0.418 1.00 71.42 H new ATOM 0 HD3 ARG A 38 12.179 21.396 1.957 1.00 71.42 H new ATOM 0 HE ARG A 38 13.211 18.935 0.907 1.00 64.41 H new ATOM 0 HH11 ARG A 38 13.071 22.291 -0.187 1.00 14.30 H new ATOM 0 HH12 ARG A 38 14.750 22.304 -0.737 1.00 14.30 H new ATOM 0 HH21 ARG A 38 15.440 19.042 0.433 1.00 51.23 H new ATOM 0 HH22 ARG A 38 16.089 20.467 -0.386 1.00 51.23 H new ATOM 618 N GLU A 39 8.138 18.904 5.094 1.00 34.32 N ATOM 619 CA GLU A 39 7.626 17.909 6.018 1.00 22.23 C ATOM 620 C GLU A 39 6.504 17.142 5.350 1.00 4.10 C ATOM 621 O GLU A 39 6.588 15.924 5.292 1.00 34.05 O ATOM 622 CB GLU A 39 7.059 18.574 7.278 1.00 71.25 C ATOM 623 CG GLU A 39 8.139 19.052 8.237 1.00 31.04 C ATOM 624 CD GLU A 39 8.764 17.854 8.968 1.00 75.22 C ATOM 625 OE1 GLU A 39 8.050 17.169 9.728 1.00 14.54 O1- ATOM 626 OE2 GLU A 39 9.966 17.570 8.746 1.00 73.33 O ATOM 0 H GLU A 39 8.207 19.836 5.504 1.00 34.32 H new ATOM 0 HA GLU A 39 8.446 17.246 6.295 1.00 22.23 H new ATOM 0 HB2 GLU A 39 6.439 19.422 6.987 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.410 17.867 7.794 1.00 71.25 H new ATOM 0 HG2 GLU A 39 8.909 19.595 7.689 1.00 31.04 H new ATOM 0 HG3 GLU A 39 7.712 19.747 8.960 1.00 31.04 H new ATOM 633 N GLN A 40 5.478 17.842 4.854 1.00 75.44 N ATOM 634 CA GLN A 40 4.328 17.210 4.227 1.00 33.21 C ATOM 635 C GLN A 40 4.757 16.389 3.019 1.00 45.12 C ATOM 636 O GLN A 40 4.375 15.224 2.903 1.00 73.12 O ATOM 637 CB GLN A 40 3.299 18.287 3.847 1.00 44.22 C ATOM 638 CG GLN A 40 2.377 18.613 5.017 1.00 34.02 C ATOM 639 CD GLN A 40 1.497 17.414 5.332 1.00 3.44 C ATOM 640 OE1 GLN A 40 1.624 16.847 6.509 1.00 24.20 O flip ATOM 641 NE2 GLN A 40 0.728 16.943 4.500 1.00 2.34 N flip ATOM 0 H GLN A 40 5.428 18.860 4.879 1.00 75.44 H new ATOM 0 HA GLN A 40 3.862 16.521 4.932 1.00 33.21 H new ATOM 0 HB2 GLN A 40 3.817 19.191 3.527 1.00 44.22 H new ATOM 0 HB3 GLN A 40 2.706 17.943 2.999 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.968 18.882 5.893 1.00 34.02 H new ATOM 0 HG3 GLN A 40 1.757 19.476 4.773 1.00 34.02 H new ATOM 0 HE21 GLN A 40 0.632 17.386 3.586 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.185 16.109 4.722 1.00 2.34 H new ATOM 650 N LEU A 41 5.565 17.004 2.152 1.00 41.12 N ATOM 651 CA LEU A 41 6.050 16.406 0.920 1.00 15.34 C ATOM 652 C LEU A 41 6.714 15.062 1.231 1.00 23.34 C ATOM 653 O LEU A 41 6.425 14.055 0.583 1.00 52.42 O ATOM 654 CB LEU A 41 7.032 17.393 0.254 1.00 21.03 C ATOM 655 CG LEU A 41 7.054 17.414 -1.282 1.00 0.11 C ATOM 656 CD1 LEU A 41 7.317 16.045 -1.918 1.00 22.31 C ATOM 657 CD2 LEU A 41 5.776 18.041 -1.845 1.00 65.33 C ATOM 0 H LEU A 41 5.905 17.955 2.297 1.00 41.12 H new ATOM 0 HA LEU A 41 5.229 16.213 0.229 1.00 15.34 H new ATOM 0 HB2 LEU A 41 6.795 18.397 0.605 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.038 17.162 0.606 1.00 21.03 H new ATOM 0 HG LEU A 41 7.905 18.039 -1.554 1.00 0.11 H new ATOM 0 HD11 LEU A 41 7.317 16.142 -3.004 1.00 22.31 H new ATOM 0 HD12 LEU A 41 8.285 15.670 -1.587 1.00 22.31 H new ATOM 0 HD13 LEU A 41 6.536 15.348 -1.616 1.00 22.31 H new ATOM 0 HD21 LEU A 41 5.820 18.042 -2.934 1.00 65.33 H new ATOM 0 HD22 LEU A 41 4.912 17.462 -1.518 1.00 65.33 H new ATOM 0 HD23 LEU A 41 5.684 19.066 -1.485 1.00 65.33 H new ATOM 669 N GLU A 42 7.604 15.036 2.227 1.00 33.24 N ATOM 670 CA GLU A 42 8.299 13.817 2.603 1.00 33.03 C ATOM 671 C GLU A 42 7.355 12.873 3.363 1.00 40.42 C ATOM 672 O GLU A 42 7.413 11.668 3.139 1.00 21.43 O ATOM 673 CB GLU A 42 9.588 14.160 3.364 1.00 30.51 C ATOM 674 CG GLU A 42 10.624 13.025 3.352 1.00 14.32 C ATOM 675 CD GLU A 42 11.406 12.968 2.035 1.00 3.02 C ATOM 676 OE1 GLU A 42 12.424 13.692 1.895 1.00 44.20 O ATOM 677 OE2 GLU A 42 11.033 12.192 1.131 1.00 2.14 O1- ATOM 0 H GLU A 42 7.856 15.852 2.785 1.00 33.24 H new ATOM 0 HA GLU A 42 8.608 13.271 1.712 1.00 33.03 H new ATOM 0 HB2 GLU A 42 10.033 15.053 2.926 1.00 30.51 H new ATOM 0 HB3 GLU A 42 9.338 14.403 4.397 1.00 30.51 H new ATOM 0 HG2 GLU A 42 11.320 13.162 4.180 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.119 12.073 3.514 1.00 14.32 H new ATOM 684 N HIS A 43 6.443 13.374 4.200 1.00 44.33 N ATOM 685 CA HIS A 43 5.514 12.552 4.973 1.00 44.01 C ATOM 686 C HIS A 43 4.668 11.682 4.058 1.00 54.41 C ATOM 687 O HIS A 43 4.399 10.534 4.405 1.00 14.03 O ATOM 688 CB HIS A 43 4.574 13.428 5.807 1.00 30.04 C ATOM 689 CG HIS A 43 3.780 12.720 6.889 1.00 15.00 C ATOM 690 ND1 HIS A 43 2.794 13.313 7.641 1.00 21.13 N ATOM 691 CD2 HIS A 43 3.923 11.437 7.360 1.00 25.41 C ATOM 692 CE1 HIS A 43 2.372 12.432 8.558 1.00 13.25 C ATOM 693 NE2 HIS A 43 3.025 11.267 8.424 1.00 71.41 N ATOM 0 H HIS A 43 6.329 14.375 4.361 1.00 44.33 H new ATOM 0 HA HIS A 43 6.113 11.922 5.630 1.00 44.01 H new ATOM 0 HB2 HIS A 43 5.165 14.215 6.276 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.872 13.916 5.131 1.00 30.04 H new ATOM 0 HD2 HIS A 43 4.606 10.692 6.979 1.00 25.41 H new ATOM 0 HE1 HIS A 43 1.613 12.631 9.300 1.00 13.25 H new ATOM 0 HE2 HIS A 43 2.894 10.425 8.985 1.00 71.41 H new ATOM 701 N THR A 44 4.280 12.196 2.889 1.00 62.13 N ATOM 702 CA THR A 44 3.471 11.432 1.949 1.00 71.14 C ATOM 703 C THR A 44 4.255 10.192 1.542 1.00 32.51 C ATOM 704 O THR A 44 3.750 9.072 1.618 1.00 73.14 O ATOM 705 CB THR A 44 3.125 12.267 0.704 1.00 22.00 C ATOM 706 OG1 THR A 44 2.847 13.602 1.038 1.00 22.10 O ATOM 707 CG2 THR A 44 1.924 11.688 -0.038 1.00 62.22 C ATOM 0 H THR A 44 4.515 13.138 2.575 1.00 62.13 H new ATOM 0 HA THR A 44 2.533 11.151 2.428 1.00 71.14 H new ATOM 0 HB THR A 44 4.002 12.234 0.057 1.00 22.00 H new ATOM 0 HG1 THR A 44 2.633 14.105 0.225 1.00 22.10 H new ATOM 0 HG21 THR A 44 1.706 12.301 -0.912 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.149 10.670 -0.356 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.058 11.678 0.623 1.00 62.22 H new ATOM 715 N ARG A 45 5.513 10.368 1.115 1.00 24.01 N ATOM 716 CA ARG A 45 6.301 9.219 0.691 1.00 72.21 C ATOM 717 C ARG A 45 6.680 8.295 1.842 1.00 64.44 C ATOM 718 O ARG A 45 6.658 7.087 1.640 1.00 71.53 O ATOM 719 CB ARG A 45 7.492 9.551 -0.202 1.00 64.22 C ATOM 720 CG ARG A 45 8.436 10.713 0.106 1.00 11.44 C ATOM 721 CD ARG A 45 8.123 11.941 -0.756 1.00 54.04 C ATOM 722 NE ARG A 45 8.808 11.904 -2.060 1.00 4.24 N ATOM 723 CZ ARG A 45 9.867 12.658 -2.377 1.00 42.41 C ATOM 724 NH1 ARG A 45 10.530 13.305 -1.428 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 10.281 12.750 -3.636 1.00 0.40 N ATOM 0 H ARG A 45 5.989 11.268 1.057 1.00 24.01 H new ATOM 0 HA ARG A 45 5.620 8.661 0.048 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.106 8.652 -0.254 1.00 64.22 H new ATOM 0 HB3 ARG A 45 7.096 9.724 -1.203 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.355 10.978 1.160 1.00 11.44 H new ATOM 0 HG3 ARG A 45 9.466 10.401 -0.066 1.00 11.44 H new ATOM 0 HD2 ARG A 45 7.047 12.004 -0.916 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.418 12.843 -0.219 1.00 54.04 H new ATOM 0 HE ARG A 45 8.452 11.261 -2.767 1.00 4.24 H new ATOM 0 HH11 ARG A 45 10.233 13.228 -0.455 1.00 25.00 H new ATOM 0 HH12 ARG A 45 11.337 13.879 -1.671 1.00 25.00 H new ATOM 0 HH21 ARG A 45 9.790 12.243 -4.373 1.00 0.40 H new ATOM 0 HH22 ARG A 45 11.089 13.328 -3.866 1.00 0.40 H new ATOM 739 N GLN A 46 7.011 8.825 3.013 1.00 54.25 N ATOM 740 CA GLN A 46 7.217 8.043 4.233 1.00 14.35 C ATOM 741 C GLN A 46 5.993 7.151 4.520 1.00 34.32 C ATOM 742 O GLN A 46 6.151 5.947 4.717 1.00 63.33 O ATOM 743 CB GLN A 46 7.523 8.960 5.430 1.00 1.03 C ATOM 744 CG GLN A 46 8.818 9.786 5.343 1.00 71.03 C ATOM 745 CD GLN A 46 10.084 8.953 5.459 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.470 8.261 4.519 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.790 9.003 6.572 1.00 72.22 N ATOM 0 H GLN A 46 7.147 9.827 3.147 1.00 54.25 H new ATOM 0 HA GLN A 46 8.081 7.396 4.080 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.687 9.647 5.557 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.569 8.345 6.329 1.00 1.03 H new ATOM 0 HG2 GLN A 46 8.833 10.323 4.395 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.814 10.536 6.134 1.00 71.03 H new ATOM 0 HE21 GLN A 46 10.471 9.577 7.353 1.00 72.22 H new ATOM 0 HE22 GLN A 46 11.655 8.468 6.652 1.00 72.22 H new ATOM 756 N CYS A 47 4.779 7.713 4.504 1.00 43.24 N ATOM 757 CA CYS A 47 3.527 6.986 4.644 1.00 44.42 C ATOM 758 C CYS A 47 3.424 5.894 3.575 1.00 2.22 C ATOM 759 O CYS A 47 3.310 4.717 3.911 1.00 63.24 O ATOM 760 CB CYS A 47 2.362 7.989 4.569 1.00 3.33 C ATOM 761 SG CYS A 47 2.026 8.663 6.222 1.00 22.35 S ATOM 0 H CYS A 47 4.644 8.718 4.389 1.00 43.24 H new ATOM 0 HA CYS A 47 3.485 6.483 5.610 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.609 8.797 3.880 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.471 7.498 4.178 1.00 3.33 H new ATOM 0 HG CYS A 47 1.043 9.511 6.153 1.00 22.35 H new ATOM 767 N LEU A 48 3.507 6.282 2.300 1.00 4.13 N ATOM 768 CA LEU A 48 3.438 5.414 1.128 1.00 3.12 C ATOM 769 C LEU A 48 4.332 4.191 1.282 1.00 50.02 C ATOM 770 O LEU A 48 3.849 3.070 1.109 1.00 33.14 O ATOM 771 CB LEU A 48 3.837 6.231 -0.115 1.00 72.14 C ATOM 772 CG LEU A 48 4.147 5.422 -1.386 1.00 60.44 C ATOM 773 CD1 LEU A 48 2.894 4.728 -1.902 1.00 73.51 C ATOM 774 CD2 LEU A 48 4.693 6.353 -2.474 1.00 44.04 C ATOM 0 H LEU A 48 3.631 7.262 2.047 1.00 4.13 H new ATOM 0 HA LEU A 48 2.418 5.047 1.018 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.030 6.928 -0.341 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.714 6.828 0.134 1.00 72.14 H new ATOM 0 HG LEU A 48 4.892 4.666 -1.138 1.00 60.44 H new ATOM 0 HD11 LEU A 48 3.136 4.162 -2.801 1.00 73.51 H new ATOM 0 HD12 LEU A 48 2.513 4.050 -1.138 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.135 5.474 -2.137 1.00 73.51 H new ATOM 0 HD21 LEU A 48 4.911 5.775 -3.372 1.00 44.04 H new ATOM 0 HD22 LEU A 48 3.951 7.117 -2.705 1.00 44.04 H new ATOM 0 HD23 LEU A 48 5.606 6.831 -2.119 1.00 44.04 H new ATOM 786 N ILE A 49 5.631 4.382 1.546 1.00 4.15 N ATOM 787 CA ILE A 49 6.528 3.249 1.651 1.00 22.35 C ATOM 788 C ILE A 49 6.115 2.352 2.810 1.00 73.31 C ATOM 789 O ILE A 49 6.129 1.139 2.640 1.00 54.42 O ATOM 790 CB ILE A 49 8.023 3.626 1.698 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.401 4.448 2.947 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.430 4.315 0.381 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.897 4.658 3.127 1.00 33.54 C ATOM 0 H ILE A 49 6.067 5.293 1.686 1.00 4.15 H new ATOM 0 HA ILE A 49 6.426 2.685 0.724 1.00 22.35 H new ATOM 0 HB ILE A 49 8.599 2.705 1.792 1.00 2.24 H new ATOM 0 HG12 ILE A 49 7.913 5.421 2.889 1.00 3.42 H new ATOM 0 HG13 ILE A 49 8.007 3.946 3.831 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.487 4.579 0.420 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.256 3.636 -0.454 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.835 5.218 0.244 1.00 45.11 H new ATOM 0 HD11 ILE A 49 10.076 5.245 4.028 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.392 3.691 3.220 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.297 5.189 2.263 1.00 33.54 H new ATOM 805 N LYS A 50 5.715 2.913 3.955 1.00 54.03 N ATOM 806 CA LYS A 50 5.445 2.097 5.126 1.00 10.45 C ATOM 807 C LYS A 50 4.221 1.215 4.893 1.00 65.14 C ATOM 808 O LYS A 50 4.242 0.068 5.331 1.00 21.01 O ATOM 809 CB LYS A 50 5.371 2.982 6.383 1.00 64.21 C ATOM 810 CG LYS A 50 5.851 2.292 7.672 1.00 11.34 C ATOM 811 CD LYS A 50 7.314 1.795 7.624 1.00 30.02 C ATOM 812 CE LYS A 50 7.399 0.264 7.508 1.00 53.21 C ATOM 813 NZ LYS A 50 8.785 -0.244 7.569 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.575 3.914 4.089 1.00 54.03 H new ATOM 0 HA LYS A 50 6.268 1.404 5.302 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.971 3.877 6.219 1.00 64.21 H new ATOM 0 HB3 LYS A 50 4.341 3.310 6.522 1.00 64.21 H new ATOM 0 HG2 LYS A 50 5.744 2.988 8.504 1.00 11.34 H new ATOM 0 HG3 LYS A 50 5.199 1.444 7.880 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.824 2.252 6.776 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.837 2.120 8.523 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.817 -0.188 8.311 1.00 53.21 H new ATOM 0 HE3 LYS A 50 6.944 -0.049 6.568 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 9.001 -0.769 6.698 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 9.444 0.555 7.664 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.887 -0.876 8.388 1.00 51.25 H new ATOM 827 N ILE A 51 3.202 1.705 4.173 1.00 24.51 N ATOM 828 CA ILE A 51 2.091 0.886 3.693 1.00 1.44 C ATOM 829 C ILE A 51 2.661 -0.234 2.828 1.00 1.23 C ATOM 830 O ILE A 51 2.466 -1.411 3.132 1.00 42.41 O ATOM 831 CB ILE A 51 1.038 1.712 2.896 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.459 2.883 3.716 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.103 0.786 2.450 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.295 3.906 2.849 1.00 62.13 C ATOM 0 H ILE A 51 3.129 2.687 3.908 1.00 24.51 H new ATOM 0 HA ILE A 51 1.565 0.476 4.555 1.00 1.44 H new ATOM 0 HB ILE A 51 1.546 2.141 2.032 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.217 2.489 4.475 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.270 3.387 4.242 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.842 1.361 1.892 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.297 -0.004 1.815 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.575 0.343 3.327 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.679 4.706 3.482 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.384 4.325 2.107 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.125 3.413 2.343 1.00 62.13 H new ATOM 846 N GLY A 52 3.309 0.132 1.722 1.00 60.25 N ATOM 847 CA GLY A 52 3.646 -0.825 0.681 1.00 12.12 C ATOM 848 C GLY A 52 4.587 -1.906 1.209 1.00 41.42 C ATOM 849 O GLY A 52 4.496 -3.059 0.775 1.00 1.12 O ATOM 0 H GLY A 52 3.609 1.087 1.528 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.735 -1.287 0.299 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.116 -0.307 -0.155 1.00 12.12 H new ATOM 853 N ASP A 53 5.464 -1.546 2.141 1.00 15.43 N ATOM 854 CA ASP A 53 6.459 -2.401 2.766 1.00 23.03 C ATOM 855 C ASP A 53 5.825 -3.318 3.810 1.00 4.51 C ATOM 856 O ASP A 53 6.100 -4.517 3.777 1.00 64.45 O ATOM 857 CB ASP A 53 7.542 -1.517 3.387 1.00 51.04 C ATOM 858 CG ASP A 53 8.784 -2.282 3.833 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.312 -3.136 3.076 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 9.315 -1.891 4.896 1.00 2.34 O ATOM 0 H ASP A 53 5.498 -0.592 2.499 1.00 15.43 H new ATOM 0 HA ASP A 53 6.907 -3.048 2.012 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.836 -0.757 2.663 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.122 -0.994 4.246 1.00 51.04 H new ATOM 865 N HIS A 54 4.920 -2.811 4.663 1.00 4.14 N ATOM 866 CA HIS A 54 4.189 -3.683 5.588 1.00 61.14 C ATOM 867 C HIS A 54 3.228 -4.606 4.851 1.00 71.00 C ATOM 868 O HIS A 54 2.854 -5.648 5.391 1.00 13.33 O ATOM 869 CB HIS A 54 3.391 -2.887 6.632 1.00 31.12 C ATOM 870 CG HIS A 54 4.161 -2.665 7.902 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.455 -3.628 8.838 1.00 41.41 N ATOM 872 CD2 HIS A 54 4.671 -1.481 8.341 1.00 41.53 C ATOM 873 CE1 HIS A 54 5.137 -3.032 9.826 1.00 33.05 C ATOM 874 NE2 HIS A 54 5.303 -1.716 9.568 1.00 52.53 N ATOM 0 H HIS A 54 4.682 -1.821 4.729 1.00 4.14 H new ATOM 0 HA HIS A 54 4.950 -4.275 6.096 1.00 61.14 H new ATOM 0 HB2 HIS A 54 3.108 -1.923 6.210 1.00 31.12 H new ATOM 0 HB3 HIS A 54 2.467 -3.418 6.860 1.00 31.12 H new ATOM 0 HD2 HIS A 54 4.601 -0.530 7.833 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.504 -3.535 10.708 1.00 33.05 H new ATOM 0 HE2 HIS A 54 5.790 -1.033 10.149 1.00 52.53 H new ATOM 882 N ILE A 55 2.794 -4.261 3.643 1.00 14.30 N ATOM 883 CA ILE A 55 2.077 -5.206 2.809 1.00 11.25 C ATOM 884 C ILE A 55 3.060 -6.220 2.231 1.00 40.53 C ATOM 885 O ILE A 55 2.750 -7.409 2.208 1.00 21.05 O ATOM 886 CB ILE A 55 1.272 -4.458 1.748 1.00 51.10 C ATOM 887 CG1 ILE A 55 0.165 -3.649 2.443 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.688 -5.448 0.729 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.470 -2.656 1.482 1.00 63.25 C ATOM 0 H ILE A 55 2.927 -3.340 3.226 1.00 14.30 H new ATOM 0 HA ILE A 55 1.354 -5.770 3.398 1.00 11.25 H new ATOM 0 HB ILE A 55 1.919 -3.772 1.202 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.597 -4.326 2.828 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.581 -3.117 3.299 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.116 -4.902 -0.022 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.499 -5.991 0.244 1.00 13.04 H new ATOM 0 HG23 ILE A 55 0.034 -6.154 1.241 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.250 -2.097 1.999 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.290 -1.965 1.117 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.906 -3.193 0.640 1.00 63.25 H new ATOM 901 N THR A 56 4.232 -5.778 1.767 1.00 5.22 N ATOM 902 CA THR A 56 5.221 -6.661 1.172 1.00 13.14 C ATOM 903 C THR A 56 5.540 -7.818 2.133 1.00 44.41 C ATOM 904 O THR A 56 5.497 -8.970 1.694 1.00 3.10 O ATOM 905 CB THR A 56 6.461 -5.857 0.742 1.00 23.42 C ATOM 906 OG1 THR A 56 6.119 -4.903 -0.251 1.00 70.12 O ATOM 907 CG2 THR A 56 7.562 -6.727 0.137 1.00 44.22 C ATOM 0 H THR A 56 4.515 -4.799 1.796 1.00 5.22 H new ATOM 0 HA THR A 56 4.821 -7.114 0.265 1.00 13.14 H new ATOM 0 HB THR A 56 6.826 -5.388 1.656 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.533 -4.221 0.139 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.408 -6.100 -0.145 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.887 -7.465 0.870 1.00 44.22 H new ATOM 0 HG23 THR A 56 7.178 -7.237 -0.746 1.00 44.22 H new ATOM 915 N GLU A 57 5.808 -7.526 3.409 1.00 33.02 N ATOM 916 CA GLU A 57 6.155 -8.522 4.426 1.00 24.11 C ATOM 917 C GLU A 57 4.988 -9.449 4.780 1.00 32.24 C ATOM 918 O GLU A 57 5.194 -10.646 4.966 1.00 3.40 O ATOM 919 CB GLU A 57 6.795 -7.862 5.659 1.00 61.11 C ATOM 920 CG GLU A 57 5.875 -6.875 6.355 1.00 73.54 C ATOM 921 CD GLU A 57 5.383 -7.313 7.731 1.00 61.31 C ATOM 922 OE1 GLU A 57 4.417 -8.108 7.834 1.00 1.40 O ATOM 923 OE2 GLU A 57 5.814 -6.711 8.736 1.00 10.24 O1- ATOM 0 H GLU A 57 5.789 -6.572 3.771 1.00 33.02 H new ATOM 0 HA GLU A 57 6.910 -9.175 3.987 1.00 24.11 H new ATOM 0 HB2 GLU A 57 7.088 -8.637 6.367 1.00 61.11 H new ATOM 0 HB3 GLU A 57 7.706 -7.347 5.355 1.00 61.11 H new ATOM 0 HG2 GLU A 57 6.398 -5.924 6.458 1.00 73.54 H new ATOM 0 HG3 GLU A 57 5.010 -6.695 5.717 1.00 73.54 H new ATOM 930 N CYS A 58 3.763 -8.925 4.813 1.00 11.34 N ATOM 931 CA CYS A 58 2.563 -9.730 5.023 1.00 0.31 C ATOM 932 C CYS A 58 2.419 -10.751 3.900 1.00 73.23 C ATOM 933 O CYS A 58 2.183 -11.935 4.145 1.00 13.34 O ATOM 934 CB CYS A 58 1.309 -8.849 5.048 1.00 31.54 C ATOM 935 SG CYS A 58 1.037 -8.116 6.682 1.00 43.24 S ATOM 0 H CYS A 58 3.576 -7.929 4.695 1.00 11.34 H new ATOM 0 HA CYS A 58 2.664 -10.237 5.983 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.406 -8.057 4.306 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.440 -9.445 4.767 1.00 31.54 H new ATOM 0 HG CYS A 58 1.642 -6.968 6.749 1.00 43.24 H new ATOM 941 N LEU A 59 2.532 -10.280 2.656 1.00 64.12 N ATOM 942 CA LEU A 59 2.312 -11.102 1.481 1.00 53.20 C ATOM 943 C LEU A 59 3.391 -12.161 1.342 1.00 72.32 C ATOM 944 O LEU A 59 3.071 -13.268 0.922 1.00 72.00 O ATOM 945 CB LEU A 59 2.310 -10.252 0.210 1.00 14.43 C ATOM 946 CG LEU A 59 1.169 -9.240 0.115 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.525 -8.218 -0.965 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.127 -9.964 -0.210 1.00 3.53 C ATOM 0 H LEU A 59 2.780 -9.314 2.443 1.00 64.12 H new ATOM 0 HA LEU A 59 1.341 -11.581 1.608 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.257 -9.717 0.147 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.261 -10.916 -0.653 1.00 14.43 H new ATOM 0 HG LEU A 59 1.029 -8.720 1.063 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.723 -7.485 -1.050 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.452 -7.712 -0.696 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.654 -8.728 -1.920 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -0.940 -9.241 -0.278 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.024 -10.485 -1.162 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.347 -10.686 0.576 1.00 3.53 H new ATOM 960 N LYS A 60 4.659 -11.853 1.639 1.00 42.43 N ATOM 961 CA LYS A 60 5.731 -12.840 1.512 1.00 35.12 C ATOM 962 C LYS A 60 5.564 -13.994 2.489 1.00 40.54 C ATOM 963 O LYS A 60 6.213 -15.018 2.278 1.00 41.41 O ATOM 964 CB LYS A 60 7.091 -12.151 1.675 1.00 54.12 C ATOM 965 CG LYS A 60 7.413 -11.348 0.402 1.00 34.15 C ATOM 966 CD LYS A 60 8.334 -10.170 0.703 1.00 11.14 C ATOM 967 CE LYS A 60 9.804 -10.560 0.910 1.00 52.11 C ATOM 968 NZ LYS A 60 10.509 -10.859 -0.355 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.963 -10.936 1.966 1.00 42.43 H new ATOM 0 HA LYS A 60 5.678 -13.276 0.515 1.00 35.12 H new ATOM 0 HB2 LYS A 60 7.074 -11.489 2.541 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.868 -12.894 1.856 1.00 54.12 H new ATOM 0 HG2 LYS A 60 7.884 -12.001 -0.332 1.00 34.15 H new ATOM 0 HG3 LYS A 60 6.487 -10.983 -0.043 1.00 34.15 H new ATOM 0 HD2 LYS A 60 8.271 -9.455 -0.117 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.975 -9.661 1.598 1.00 11.14 H new ATOM 0 HE2 LYS A 60 10.320 -9.749 1.423 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.854 -11.432 1.562 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.496 -11.115 -0.150 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 10.038 -11.652 -0.836 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 10.490 -10.020 -0.970 1.00 72.35 H new ATOM 982 N GLU A 61 4.704 -13.868 3.504 1.00 54.21 N ATOM 983 CA GLU A 61 4.397 -14.957 4.402 1.00 54.40 C ATOM 984 C GLU A 61 3.701 -16.094 3.671 1.00 62.01 C ATOM 985 O GLU A 61 3.985 -17.262 3.958 1.00 3.42 O ATOM 986 CB GLU A 61 3.481 -14.466 5.521 1.00 64.41 C ATOM 987 CG GLU A 61 3.633 -15.352 6.764 1.00 21.14 C ATOM 988 CD GLU A 61 2.296 -15.905 7.249 1.00 34.24 C ATOM 989 OE1 GLU A 61 1.538 -15.141 7.888 1.00 3.14 O ATOM 990 OE2 GLU A 61 2.013 -17.111 7.061 1.00 63.12 O1- ATOM 0 H GLU A 61 4.207 -13.003 3.716 1.00 54.21 H new ATOM 0 HA GLU A 61 5.338 -15.322 4.814 1.00 54.40 H new ATOM 0 HB2 GLU A 61 3.723 -13.433 5.771 1.00 64.41 H new ATOM 0 HB3 GLU A 61 2.445 -14.478 5.183 1.00 64.41 H new ATOM 0 HG2 GLU A 61 4.305 -16.180 6.537 1.00 21.14 H new ATOM 0 HG3 GLU A 61 4.097 -14.775 7.564 1.00 21.14 H new ATOM 997 N TYR A 62 2.774 -15.769 2.765 1.00 60.23 N ATOM 998 CA TYR A 62 2.074 -16.813 2.044 1.00 13.04 C ATOM 999 C TYR A 62 3.077 -17.508 1.134 1.00 13.02 C ATOM 1000 O TYR A 62 3.868 -16.862 0.447 1.00 51.53 O ATOM 1001 CB TYR A 62 0.900 -16.283 1.231 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.052 -15.392 1.985 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.811 -15.936 3.033 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.206 -14.040 1.624 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.801 -15.170 3.656 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.148 -13.247 2.301 1.00 62.34 C ATOM 1007 CZ TYR A 62 -1.972 -13.814 3.299 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.921 -13.065 3.924 1.00 10.34 O ATOM 0 H TYR A 62 2.502 -14.816 2.524 1.00 60.23 H new ATOM 0 HA TYR A 62 1.651 -17.511 2.767 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.291 -15.730 0.377 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.342 -17.131 0.834 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.630 -16.949 3.359 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.395 -13.616 0.833 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.434 -15.615 4.409 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.243 -12.199 2.057 1.00 62.34 H new ATOM 0 HH TYR A 62 -3.731 -13.037 3.373 1.00 10.34 H new ATOM 1018 N THR A 63 3.036 -18.827 1.119 1.00 43.11 N ATOM 1019 CA THR A 63 3.899 -19.643 0.299 1.00 35.33 C ATOM 1020 C THR A 63 3.288 -19.808 -1.095 1.00 12.01 C ATOM 1021 O THR A 63 4.012 -19.765 -2.093 1.00 41.13 O ATOM 1022 CB THR A 63 4.089 -20.975 1.039 1.00 2.33 C ATOM 1023 OG1 THR A 63 2.860 -21.447 1.568 1.00 32.45 O ATOM 1024 CG2 THR A 63 5.058 -20.797 2.212 1.00 31.03 C ATOM 0 H THR A 63 2.387 -19.368 1.690 1.00 43.11 H new ATOM 0 HA THR A 63 4.876 -19.185 0.143 1.00 35.33 H new ATOM 0 HB THR A 63 4.482 -21.691 0.317 1.00 2.33 H new ATOM 0 HG1 THR A 63 3.009 -22.297 2.033 1.00 32.45 H new ATOM 0 HG21 THR A 63 5.184 -21.749 2.728 1.00 31.03 H new ATOM 0 HG22 THR A 63 6.024 -20.457 1.838 1.00 31.03 H new ATOM 0 HG23 THR A 63 4.657 -20.058 2.906 1.00 31.03 H new ATOM 1032 N ASN A 64 1.965 -19.984 -1.183 1.00 22.12 N ATOM 1033 CA ASN A 64 1.317 -20.471 -2.394 1.00 20.34 C ATOM 1034 C ASN A 64 1.126 -19.334 -3.402 1.00 62.22 C ATOM 1035 O ASN A 64 0.804 -18.207 -3.010 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.014 -21.170 -2.049 1.00 73.21 C ATOM 1037 CG ASN A 64 0.228 -22.581 -1.499 1.00 21.22 C ATOM 1038 OD1 ASN A 64 1.323 -22.928 -1.077 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -0.720 -23.491 -1.625 1.00 53.22 N ATOM 0 H ASN A 64 1.320 -19.792 -0.417 1.00 22.12 H new ATOM 0 HA ASN A 64 1.962 -21.212 -2.865 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.559 -20.578 -1.313 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.640 -21.226 -2.940 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -0.532 -24.461 -1.373 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.640 -23.224 -1.975 1.00 53.22 H new ATOM 1046 N PRO A 65 1.248 -19.617 -4.715 1.00 2.25 N ATOM 1047 CA PRO A 65 1.254 -18.596 -5.756 1.00 15.53 C ATOM 1048 C PRO A 65 -0.096 -17.900 -5.892 1.00 14.03 C ATOM 1049 O PRO A 65 -0.154 -16.711 -6.203 1.00 64.50 O ATOM 1050 CB PRO A 65 1.634 -19.319 -7.048 1.00 31.12 C ATOM 1051 CG PRO A 65 1.229 -20.769 -6.795 1.00 31.01 C ATOM 1052 CD PRO A 65 1.477 -20.930 -5.299 1.00 54.11 C ATOM 0 HA PRO A 65 1.962 -17.804 -5.512 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.109 -18.902 -7.907 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.701 -19.233 -7.254 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.186 -20.949 -7.054 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.828 -21.465 -7.382 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.804 -21.672 -4.869 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.494 -21.272 -5.106 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.185 -18.631 -5.673 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.524 -18.070 -5.757 1.00 32.01 C ATOM 1062 C GLU A 66 -2.763 -17.121 -4.582 1.00 34.31 C ATOM 1063 O GLU A 66 -3.271 -16.021 -4.789 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.573 -19.182 -5.857 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.369 -20.002 -7.140 1.00 24.12 C ATOM 1066 CD GLU A 66 -4.476 -21.018 -7.413 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -5.145 -21.480 -6.464 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -4.665 -21.363 -8.603 1.00 45.54 O1- ATOM 0 H GLU A 66 -1.162 -19.622 -5.434 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.620 -17.481 -6.669 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.504 -19.835 -4.987 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.573 -18.748 -5.851 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -3.300 -19.320 -7.987 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -2.416 -20.527 -7.075 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.332 -17.485 -3.370 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.490 -16.628 -2.209 1.00 44.41 C ATOM 1077 C GLN A 67 -1.673 -15.349 -2.351 1.00 71.14 C ATOM 1078 O GLN A 67 -2.247 -14.266 -2.216 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.145 -17.389 -0.921 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.416 -17.533 -0.082 1.00 13.40 C ATOM 1081 CD GLN A 67 -3.298 -18.516 1.068 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -4.150 -19.382 1.215 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.273 -18.385 1.892 1.00 3.24 N ATOM 0 H GLN A 67 -1.870 -18.373 -3.175 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.537 -16.331 -2.144 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.737 -18.371 -1.160 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.380 -16.854 -0.359 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.686 -16.555 0.317 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.232 -17.848 -0.732 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -1.583 -17.650 1.735 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.171 -19.019 2.685 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.366 -15.450 -2.630 1.00 1.22 N ATOM 1093 CA ILE A 68 0.471 -14.267 -2.819 1.00 12.50 C ATOM 1094 C ILE A 68 -0.136 -13.371 -3.913 1.00 71.12 C ATOM 1095 O ILE A 68 -0.336 -12.185 -3.665 1.00 55.41 O ATOM 1096 CB ILE A 68 1.964 -14.597 -3.053 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.258 -15.461 -4.277 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.587 -15.293 -1.845 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.730 -14.618 -5.461 1.00 33.44 C ATOM 0 H ILE A 68 0.129 -16.337 -2.729 1.00 1.22 H new ATOM 0 HA ILE A 68 0.474 -13.705 -1.885 1.00 12.50 H new ATOM 0 HB ILE A 68 2.407 -13.616 -3.224 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.021 -16.198 -4.028 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.361 -16.013 -4.557 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.636 -15.508 -2.050 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.513 -14.644 -0.973 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.057 -16.225 -1.649 1.00 13.44 H new ATOM 0 HD11 ILE A 68 2.929 -15.267 -6.313 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.956 -13.898 -5.727 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.642 -14.086 -5.189 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.477 -13.893 -5.106 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.919 -13.030 -6.214 1.00 12.30 C ATOM 1113 C LYS A 69 -2.285 -12.406 -5.933 1.00 53.31 C ATOM 1114 O LYS A 69 -2.519 -11.258 -6.318 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.883 -13.777 -7.565 1.00 34.45 C ATOM 1116 CG LYS A 69 -2.040 -14.772 -7.769 1.00 41.45 C ATOM 1117 CD LYS A 69 -1.775 -15.806 -8.869 1.00 30.22 C ATOM 1118 CE LYS A 69 -1.855 -15.169 -10.257 1.00 41.34 C ATOM 1119 NZ LYS A 69 -0.698 -15.510 -11.105 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.456 -14.889 -5.324 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.209 -12.207 -6.291 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -0.902 -13.045 -8.372 1.00 34.45 H new ATOM 0 HB3 LYS A 69 0.062 -14.315 -7.645 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -2.229 -15.293 -6.831 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -2.946 -14.217 -8.014 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.790 -16.249 -8.726 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -2.502 -16.615 -8.795 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -2.771 -15.495 -10.750 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -1.918 -14.086 -10.153 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -0.802 -15.053 -12.034 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 0.176 -15.176 -10.651 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -0.651 -16.541 -11.230 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.187 -13.143 -5.285 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.507 -12.652 -4.940 1.00 72.22 C ATOM 1135 C GLN A 70 -4.363 -11.552 -3.895 1.00 73.44 C ATOM 1136 O GLN A 70 -4.814 -10.430 -4.111 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.370 -13.821 -4.449 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.795 -13.381 -4.088 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.180 -13.764 -2.662 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -6.482 -13.264 -1.652 1.00 54.22 O flip ATOM 1141 NE2 GLN A 70 -8.125 -14.507 -2.444 1.00 61.54 N flip ATOM 0 H GLN A 70 -3.014 -14.103 -4.986 1.00 15.42 H new ATOM 0 HA GLN A 70 -5.007 -12.223 -5.808 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.414 -14.588 -5.223 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -4.900 -14.275 -3.577 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -6.879 -12.301 -4.206 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.500 -13.834 -4.785 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -8.662 -14.891 -3.222 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.377 -14.743 -1.484 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.750 -11.850 -2.745 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.623 -10.869 -1.682 1.00 1.41 C ATOM 1152 C TRP A 71 -2.821 -9.650 -2.132 1.00 43.13 C ATOM 1153 O TRP A 71 -3.177 -8.538 -1.745 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.042 -11.515 -0.426 1.00 34.40 C ATOM 1155 CG TRP A 71 -4.014 -12.339 0.353 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.935 -13.663 0.616 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.206 -11.861 1.039 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.990 -14.032 1.433 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.805 -12.957 1.721 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.839 -10.604 1.148 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.965 -12.805 2.492 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -7.011 -10.444 1.906 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.560 -11.536 2.601 1.00 10.30 C ATOM 0 H TRP A 71 -3.339 -12.759 -2.535 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.619 -10.503 -1.433 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.200 -12.144 -0.713 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.648 -10.731 0.221 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -3.169 -14.328 0.247 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -5.145 -14.979 1.778 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.415 -9.751 0.640 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.398 -13.655 2.998 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.492 -9.478 1.955 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.437 -11.400 3.217 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.805 -9.824 -2.992 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.998 -8.720 -3.524 1.00 44.24 C ATOM 1176 C ARG A 72 -1.916 -7.641 -4.095 1.00 25.40 C ATOM 1177 O ARG A 72 -1.727 -6.460 -3.820 1.00 72.43 O ATOM 1178 CB ARG A 72 0.037 -9.248 -4.545 1.00 20.22 C ATOM 1179 CG ARG A 72 0.928 -8.162 -5.176 1.00 24.51 C ATOM 1180 CD ARG A 72 1.916 -8.726 -6.216 1.00 4.10 C ATOM 1181 NE ARG A 72 3.020 -9.491 -5.619 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.190 -9.795 -6.196 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.468 -9.481 -7.461 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 5.083 -10.472 -5.487 1.00 74.24 N ATOM 0 H ARG A 72 -1.521 -10.740 -3.338 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.423 -8.257 -2.722 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.675 -9.980 -4.050 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.492 -9.772 -5.341 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.296 -7.412 -5.652 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.487 -7.655 -4.389 1.00 24.51 H new ATOM 0 HD2 ARG A 72 1.374 -9.367 -6.911 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.328 -7.902 -6.798 1.00 4.10 H new ATOM 0 HE ARG A 72 2.881 -9.825 -4.666 1.00 14.41 H new ATOM 0 HH11 ARG A 72 3.777 -8.990 -8.028 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.372 -9.731 -7.862 1.00 54.04 H new ATOM 0 HH21 ARG A 72 4.870 -10.747 -4.528 1.00 74.24 H new ATOM 0 HH22 ARG A 72 5.983 -10.717 -5.900 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.920 -8.039 -4.877 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.909 -7.133 -5.438 1.00 2.53 C ATOM 1200 C LYS A 73 -4.965 -6.763 -4.401 1.00 1.23 C ATOM 1201 O LYS A 73 -5.230 -5.573 -4.290 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.540 -7.746 -6.695 1.00 34.23 C ATOM 1203 CG LYS A 73 -3.819 -7.337 -7.989 1.00 63.11 C ATOM 1204 CD LYS A 73 -2.392 -7.881 -8.134 1.00 42.23 C ATOM 1205 CE LYS A 73 -1.764 -7.381 -9.440 1.00 22.32 C ATOM 1206 NZ LYS A 73 -2.371 -7.976 -10.651 1.00 41.12 N1+ ATOM 0 H LYS A 73 -3.067 -9.014 -5.139 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.408 -6.210 -5.729 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.529 -8.832 -6.607 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.585 -7.441 -6.756 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.410 -7.677 -8.840 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -3.784 -6.249 -8.040 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -1.786 -7.563 -7.286 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -2.408 -8.971 -8.124 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -1.862 -6.297 -9.489 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -0.697 -7.605 -9.430 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -1.836 -7.675 -11.491 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -2.346 -9.013 -10.578 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -3.358 -7.658 -10.737 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.569 -7.699 -3.659 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.661 -7.379 -2.729 1.00 31.13 C ATOM 1222 C ASN A 74 -6.254 -6.295 -1.729 1.00 50.53 C ATOM 1223 O ASN A 74 -7.091 -5.465 -1.368 1.00 74.44 O ATOM 1224 CB ASN A 74 -7.144 -8.609 -1.941 1.00 21.11 C ATOM 1225 CG ASN A 74 -8.208 -9.436 -2.641 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -9.113 -8.910 -3.286 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -8.188 -10.745 -2.463 1.00 4.44 N ATOM 0 H ASN A 74 -5.319 -8.688 -3.684 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.477 -7.017 -3.355 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.286 -9.248 -1.731 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.536 -8.276 -0.980 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.926 -11.325 -2.862 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.434 -11.175 -1.927 1.00 4.44 H new ATOM 1234 N LEU A 75 -5.002 -6.302 -1.258 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.508 -5.255 -0.367 1.00 4.53 C ATOM 1236 C LEU A 75 -4.413 -3.921 -1.105 1.00 24.52 C ATOM 1237 O LEU A 75 -5.027 -2.957 -0.640 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.191 -5.668 0.300 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.372 -6.812 1.321 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -1.997 -7.247 1.813 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -4.220 -6.419 2.543 1.00 54.21 C ATOM 0 H LEU A 75 -4.315 -7.022 -1.481 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.225 -5.116 0.442 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.482 -5.980 -0.467 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.757 -4.804 0.802 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.901 -7.614 0.806 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -2.108 -8.055 2.536 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -1.402 -7.594 0.969 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -1.496 -6.403 2.287 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -4.304 -7.272 3.217 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -3.743 -5.590 3.065 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -5.214 -6.117 2.214 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.736 -3.865 -2.267 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.756 -2.674 -3.115 1.00 2.42 C ATOM 1255 C TRP A 76 -5.192 -2.173 -3.357 1.00 30.11 C ATOM 1256 O TRP A 76 -5.413 -0.971 -3.321 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.980 -2.921 -4.427 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.478 -2.741 -4.402 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.564 -3.676 -4.745 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.692 -1.578 -3.981 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.713 -3.197 -4.529 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.689 -1.939 -3.970 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -1.015 -0.305 -3.464 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.668 -1.139 -3.361 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 -0.027 0.523 -2.879 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.312 0.106 -2.835 1.00 33.11 C ATOM 0 H TRP A 76 -3.172 -4.632 -2.633 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.241 -1.871 -2.587 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -3.190 -3.939 -4.754 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.385 -2.253 -5.187 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.799 -4.656 -5.132 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.565 -3.710 -4.755 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -2.036 0.044 -3.516 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.690 -1.483 -3.299 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.305 1.481 -2.464 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.065 0.745 -2.396 1.00 33.11 H new ATOM 1277 N ILE A 77 -6.186 -3.039 -3.565 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.574 -2.647 -3.836 1.00 32.02 C ATOM 1279 C ILE A 77 -8.185 -1.991 -2.600 1.00 35.11 C ATOM 1280 O ILE A 77 -8.765 -0.913 -2.711 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.382 -3.863 -4.345 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.830 -4.223 -5.740 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.894 -3.579 -4.429 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.256 -5.593 -6.269 1.00 32.44 C ATOM 0 H ILE A 77 -6.049 -4.050 -3.550 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.602 -1.901 -4.631 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.269 -4.688 -3.641 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -8.151 -3.460 -6.449 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.741 -4.186 -5.704 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.411 -4.467 -4.792 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.271 -3.318 -3.440 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -10.071 -2.750 -5.115 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.819 -5.755 -7.254 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.911 -6.370 -5.587 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.343 -5.632 -6.344 1.00 32.44 H new ATOM 1296 N PHE A 78 -8.035 -2.611 -1.429 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.493 -2.022 -0.168 1.00 71.52 C ATOM 1298 C PHE A 78 -7.889 -0.629 0.025 1.00 63.24 C ATOM 1299 O PHE A 78 -8.611 0.318 0.332 1.00 12.03 O ATOM 1300 CB PHE A 78 -8.153 -2.936 1.018 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.456 -2.344 2.393 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.786 -2.197 2.832 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.408 -2.009 3.274 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -10.066 -1.726 4.129 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.693 -1.554 4.577 1.00 14.45 C ATOM 1306 CZ PHE A 78 -9.021 -1.405 5.003 1.00 25.55 C ATOM 0 H PHE A 78 -7.597 -3.527 -1.327 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.577 -1.920 -0.212 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.707 -3.869 0.910 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -7.093 -3.187 0.972 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.599 -2.448 2.167 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.382 -2.101 2.949 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -11.091 -1.612 4.451 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -6.883 -1.318 5.252 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.236 -1.045 5.998 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.578 -0.501 -0.183 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.874 0.769 -0.047 1.00 72.11 C ATOM 1318 C VAL A 79 -6.421 1.773 -1.061 1.00 63.14 C ATOM 1319 O VAL A 79 -6.671 2.910 -0.676 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.345 0.570 -0.148 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.566 1.893 -0.101 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.857 -0.291 1.027 1.00 22.13 C ATOM 0 H VAL A 79 -5.975 -1.279 -0.451 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.054 1.183 0.945 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.161 0.090 -1.109 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.498 1.689 -0.176 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.874 2.526 -0.933 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.773 2.404 0.839 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.778 -0.430 0.953 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.095 0.207 1.967 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.351 -1.262 0.996 1.00 22.13 H new ATOM 1332 N SER A 80 -6.675 1.348 -2.305 1.00 34.12 N ATOM 1333 CA SER A 80 -7.170 2.203 -3.386 1.00 61.41 C ATOM 1334 C SER A 80 -8.401 3.015 -2.995 1.00 21.53 C ATOM 1335 O SER A 80 -8.572 4.118 -3.512 1.00 43.34 O ATOM 1336 CB SER A 80 -7.547 1.389 -4.630 1.00 54.34 C ATOM 1337 OG SER A 80 -6.470 0.609 -5.101 1.00 43.03 O ATOM 0 H SER A 80 -6.538 0.379 -2.592 1.00 34.12 H new ATOM 0 HA SER A 80 -6.341 2.878 -3.599 1.00 61.41 H new ATOM 0 HB2 SER A 80 -8.390 0.739 -4.395 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.876 2.065 -5.419 1.00 54.34 H new ATOM 0 HG SER A 80 -6.151 0.024 -4.382 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.277 2.477 -2.137 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.476 3.209 -1.742 1.00 53.15 C ATOM 1345 C LYS A 81 -10.078 4.433 -0.909 1.00 44.31 C ATOM 1346 O LYS A 81 -10.650 5.503 -1.099 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.471 2.292 -1.008 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.426 1.534 -1.952 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.759 0.573 -2.951 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.774 -0.116 -3.879 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.218 0.748 -4.998 1.00 70.41 N1+ ATOM 0 H LYS A 81 -9.178 1.555 -1.713 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.993 3.564 -2.633 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.914 1.569 -0.412 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.060 2.891 -0.314 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -13.130 0.965 -1.345 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -13.007 2.265 -2.514 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.038 1.125 -3.554 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.201 -0.186 -2.402 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -12.329 -1.025 -4.284 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -13.643 -0.420 -3.295 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.900 0.229 -5.588 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.670 1.604 -4.618 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -12.396 1.018 -5.575 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.069 4.327 -0.053 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.553 5.404 0.785 1.00 3.11 C ATOM 1367 C PHE A 82 -7.571 6.321 0.044 1.00 61.04 C ATOM 1368 O PHE A 82 -6.658 6.849 0.674 1.00 45.15 O ATOM 1369 CB PHE A 82 -7.931 4.794 2.055 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.956 4.170 2.985 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.611 4.963 3.946 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -9.315 2.816 2.845 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -10.643 4.420 4.732 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -10.345 2.272 3.635 1.00 11.10 C ATOM 1375 CZ PHE A 82 -11.026 3.076 4.565 1.00 61.24 C ATOM 0 H PHE A 82 -8.566 3.450 0.082 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.385 6.051 1.065 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.203 4.036 1.767 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.387 5.570 2.593 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.319 5.994 4.080 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -8.799 2.193 2.130 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -11.143 5.036 5.465 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -10.613 1.232 3.526 1.00 11.10 H new ATOM 0 HZ PHE A 82 -11.838 2.665 5.147 1.00 61.24 H new ATOM 1385 N THR A 83 -7.701 6.541 -1.268 1.00 61.12 N ATOM 1386 CA THR A 83 -6.857 7.507 -1.961 1.00 12.22 C ATOM 1387 C THR A 83 -7.497 7.919 -3.299 1.00 51.24 C ATOM 1388 O THR A 83 -8.429 7.271 -3.783 1.00 21.11 O ATOM 1389 CB THR A 83 -5.441 6.897 -2.122 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.545 7.713 -2.852 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.456 5.517 -2.775 1.00 21.44 C ATOM 0 H THR A 83 -8.378 6.065 -1.864 1.00 61.12 H new ATOM 0 HA THR A 83 -6.762 8.425 -1.381 1.00 12.22 H new ATOM 0 HB THR A 83 -5.086 6.816 -1.095 1.00 21.14 H new ATOM 0 HG1 THR A 83 -3.674 7.269 -2.913 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.436 5.144 -2.860 1.00 21.44 H new ATOM 0 HG22 THR A 83 -6.044 4.832 -2.164 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.900 5.589 -3.768 1.00 21.44 H new ATOM 1399 N GLU A 84 -6.933 8.927 -3.964 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.103 9.192 -5.395 1.00 74.01 C ATOM 1401 C GLU A 84 -6.391 8.129 -6.271 1.00 43.32 C ATOM 1402 O GLU A 84 -6.538 8.149 -7.495 1.00 63.43 O ATOM 1403 CB GLU A 84 -6.514 10.582 -5.713 1.00 14.25 C ATOM 1404 CG GLU A 84 -7.358 11.768 -5.209 1.00 22.52 C ATOM 1405 CD GLU A 84 -8.536 12.152 -6.110 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -8.539 11.847 -7.326 1.00 15.35 O1- ATOM 1407 OE2 GLU A 84 -9.451 12.847 -5.611 1.00 3.33 O ATOM 0 H GLU A 84 -6.324 9.606 -3.507 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.168 9.154 -5.624 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -5.519 10.649 -5.274 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -6.393 10.672 -6.792 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -7.742 11.526 -4.218 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -6.708 12.636 -5.097 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.606 7.216 -5.685 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.644 6.391 -6.404 1.00 60.43 C ATOM 1416 C PHE A 85 -4.972 4.897 -6.379 1.00 31.05 C ATOM 1417 O PHE A 85 -4.559 4.147 -5.492 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.234 6.717 -5.920 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.836 8.172 -6.089 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -3.057 8.847 -7.306 1.00 1.42 C ATOM 1421 CD2 PHE A 85 -2.257 8.875 -5.019 1.00 44.43 C ATOM 1422 CE1 PHE A 85 -2.635 10.178 -7.472 1.00 70.20 C ATOM 1423 CE2 PHE A 85 -1.842 10.209 -5.179 1.00 63.20 C ATOM 1424 CZ PHE A 85 -2.015 10.854 -6.414 1.00 71.12 C ATOM 0 H PHE A 85 -5.627 7.032 -4.682 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.707 6.643 -7.463 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.154 6.451 -4.866 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.523 6.093 -6.462 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.555 8.338 -8.118 1.00 1.42 H new ATOM 0 HD2 PHE A 85 -2.129 8.386 -4.064 1.00 44.43 H new ATOM 0 HE1 PHE A 85 -2.789 10.679 -8.416 1.00 70.20 H new ATOM 0 HE2 PHE A 85 -1.390 10.737 -4.352 1.00 63.20 H new ATOM 0 HZ PHE A 85 -1.671 11.869 -6.548 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.660 4.461 -7.435 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.880 3.044 -7.722 1.00 42.44 C ATOM 1436 C ASP A 86 -4.593 2.228 -7.714 1.00 50.23 C ATOM 1437 O ASP A 86 -3.483 2.714 -7.955 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.589 2.869 -9.069 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.650 1.422 -9.566 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -7.312 0.601 -8.895 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -5.928 1.049 -10.518 1.00 23.14 O1- ATOM 0 H ASP A 86 -6.083 5.087 -8.120 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.511 2.665 -6.918 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -7.605 3.255 -8.984 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -6.079 3.476 -9.817 1.00 35.42 H new ATOM 1446 N ALA A 87 -4.795 0.932 -7.528 1.00 34.50 N ATOM 1447 CA ALA A 87 -3.797 -0.116 -7.459 1.00 54.34 C ATOM 1448 C ALA A 87 -2.796 -0.038 -8.612 1.00 42.15 C ATOM 1449 O ALA A 87 -1.639 -0.401 -8.409 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.501 -1.474 -7.454 1.00 13.05 C ATOM 0 H ALA A 87 -5.738 0.560 -7.413 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.227 0.015 -6.539 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -3.757 -2.269 -7.402 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.162 -1.538 -6.589 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.086 -1.584 -8.367 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.203 0.424 -9.800 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.334 0.751 -10.925 1.00 71.23 C ATOM 1458 C ARG A 88 -1.237 1.711 -10.494 1.00 35.22 C ATOM 1459 O ARG A 88 -0.054 1.348 -10.492 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.198 1.323 -12.069 1.00 33.21 C ATOM 1461 CG ARG A 88 -2.397 1.881 -13.257 1.00 42.33 C ATOM 1462 CD ARG A 88 -3.348 2.547 -14.256 1.00 12.42 C ATOM 1463 NE ARG A 88 -2.613 3.144 -15.381 1.00 52.53 N ATOM 1464 CZ ARG A 88 -2.242 2.505 -16.497 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -2.488 1.210 -16.656 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -1.594 3.159 -17.447 1.00 13.42 N ATOM 0 H ARG A 88 -4.189 0.585 -10.007 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.833 -0.147 -11.287 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.863 0.539 -12.432 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.829 2.116 -11.668 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -1.661 2.604 -12.904 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -1.846 1.077 -13.746 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -4.057 1.810 -14.633 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -3.929 3.318 -13.749 1.00 12.42 H new ATOM 0 HE ARG A 88 -2.364 4.130 -15.304 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -2.966 0.688 -15.922 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -2.199 0.737 -17.512 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -1.378 4.149 -17.328 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -1.311 2.673 -18.298 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.632 2.955 -10.223 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.707 4.051 -10.031 1.00 14.14 C ATOM 1482 C LYS A 89 0.021 3.884 -8.704 1.00 2.34 C ATOM 1483 O LYS A 89 1.239 4.041 -8.692 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.390 5.420 -10.218 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.729 5.632 -9.484 1.00 43.13 C ATOM 1486 CD LYS A 89 -4.003 5.478 -10.337 1.00 64.32 C ATOM 1487 CE LYS A 89 -4.161 6.667 -11.297 1.00 13.54 C ATOM 1488 NZ LYS A 89 -5.576 6.986 -11.581 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.612 3.223 -10.132 1.00 15.10 H new ATOM 0 HA LYS A 89 0.055 4.024 -10.810 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -0.696 6.194 -9.890 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.558 5.573 -11.284 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.782 4.924 -8.657 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -2.727 6.631 -9.048 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.956 4.549 -10.905 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.876 5.410 -9.687 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -3.674 7.543 -10.868 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -3.648 6.444 -12.233 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -5.625 7.795 -12.233 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -6.037 6.162 -12.016 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -6.063 7.226 -10.694 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.666 3.475 -7.632 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.039 3.300 -6.330 1.00 62.33 C ATOM 1504 C LEU A 90 1.104 2.286 -6.389 1.00 70.22 C ATOM 1505 O LEU A 90 2.214 2.582 -5.955 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.085 2.916 -5.281 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.123 3.920 -4.116 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.192 3.546 -3.099 1.00 34.32 C ATOM 1509 CD2 LEU A 90 0.232 4.075 -3.426 1.00 43.35 C ATOM 0 H LEU A 90 -1.663 3.259 -7.648 1.00 2.34 H new ATOM 0 HA LEU A 90 0.401 4.252 -6.033 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.068 2.866 -5.750 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.864 1.921 -4.896 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.376 4.885 -4.555 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.194 4.275 -2.288 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.169 3.540 -3.583 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -1.980 2.556 -2.696 1.00 34.32 H new ATOM 0 HD21 LEU A 90 0.146 4.795 -2.612 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.549 3.112 -3.026 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.969 4.429 -4.147 1.00 43.35 H new ATOM 1521 N HIS A 91 0.874 1.118 -7.001 1.00 11.24 N ATOM 1522 CA HIS A 91 1.919 0.110 -7.232 1.00 44.30 C ATOM 1523 C HIS A 91 3.144 0.698 -7.949 1.00 65.40 C ATOM 1524 O HIS A 91 4.284 0.392 -7.588 1.00 62.10 O ATOM 1525 CB HIS A 91 1.341 -1.059 -8.046 1.00 74.21 C ATOM 1526 CG HIS A 91 2.356 -1.968 -8.697 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.802 -3.182 -8.234 1.00 12.20 N ATOM 1528 CD2 HIS A 91 2.979 -1.735 -9.892 1.00 63.15 C ATOM 1529 CE1 HIS A 91 3.691 -3.663 -9.120 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.830 -2.814 -10.156 1.00 10.32 N ATOM 0 H HIS A 91 -0.044 0.844 -7.351 1.00 11.24 H new ATOM 0 HA HIS A 91 2.255 -0.247 -6.259 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.712 -1.659 -7.389 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.694 -0.652 -8.823 1.00 74.21 H new ATOM 0 HD2 HIS A 91 2.839 -0.869 -10.522 1.00 63.15 H new ATOM 0 HE1 HIS A 91 4.220 -4.599 -9.016 1.00 30.45 H new ATOM 0 HE2 HIS A 91 4.434 -2.933 -10.969 1.00 10.32 H new ATOM 1538 N LYS A 92 2.924 1.484 -9.011 1.00 0.33 N ATOM 1539 CA LYS A 92 3.986 2.127 -9.790 1.00 62.41 C ATOM 1540 C LYS A 92 4.801 3.034 -8.872 1.00 4.02 C ATOM 1541 O LYS A 92 6.039 2.972 -8.845 1.00 61.24 O ATOM 1542 CB LYS A 92 3.367 2.959 -10.937 1.00 22.30 C ATOM 1543 CG LYS A 92 3.669 2.386 -12.326 1.00 2.40 C ATOM 1544 CD LYS A 92 3.162 3.307 -13.448 1.00 24.33 C ATOM 1545 CE LYS A 92 3.927 4.639 -13.509 1.00 65.23 C ATOM 1546 NZ LYS A 92 3.399 5.568 -14.530 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.988 1.693 -9.357 1.00 0.33 H new ATOM 0 HA LYS A 92 4.636 1.365 -10.220 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.287 3.010 -10.799 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.744 3.980 -10.882 1.00 22.30 H new ATOM 0 HG2 LYS A 92 4.744 2.241 -12.433 1.00 2.40 H new ATOM 0 HG3 LYS A 92 3.204 1.405 -12.423 1.00 2.40 H new ATOM 0 HD2 LYS A 92 3.256 2.794 -14.405 1.00 24.33 H new ATOM 0 HD3 LYS A 92 2.101 3.508 -13.297 1.00 24.33 H new ATOM 0 HE2 LYS A 92 3.884 5.120 -12.532 1.00 65.23 H new ATOM 0 HE3 LYS A 92 4.978 4.438 -13.719 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 3.956 6.446 -14.522 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 3.464 5.126 -15.469 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 2.404 5.787 -14.319 1.00 43.32 H new ATOM 1560 N LEU A 93 4.079 3.904 -8.168 1.00 63.33 N ATOM 1561 CA LEU A 93 4.620 4.944 -7.330 1.00 20.11 C ATOM 1562 C LEU A 93 5.416 4.325 -6.195 1.00 43.43 C ATOM 1563 O LEU A 93 6.563 4.724 -6.023 1.00 62.13 O ATOM 1564 CB LEU A 93 3.487 5.841 -6.809 1.00 1.11 C ATOM 1565 CG LEU A 93 4.030 7.121 -6.153 1.00 52.21 C ATOM 1566 CD1 LEU A 93 4.574 8.094 -7.201 1.00 23.33 C ATOM 1567 CD2 LEU A 93 2.923 7.809 -5.365 1.00 24.41 C ATOM 0 H LEU A 93 3.059 3.893 -8.174 1.00 63.33 H new ATOM 0 HA LEU A 93 5.297 5.571 -7.911 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.826 6.107 -7.633 1.00 1.11 H new ATOM 0 HB3 LEU A 93 2.888 5.287 -6.086 1.00 1.11 H new ATOM 0 HG LEU A 93 4.843 6.835 -5.486 1.00 52.21 H new ATOM 0 HD11 LEU A 93 4.951 8.989 -6.706 1.00 23.33 H new ATOM 0 HD12 LEU A 93 5.383 7.618 -7.754 1.00 23.33 H new ATOM 0 HD13 LEU A 93 3.776 8.369 -7.891 1.00 23.33 H new ATOM 0 HD21 LEU A 93 3.315 8.715 -4.903 1.00 24.41 H new ATOM 0 HD22 LEU A 93 2.105 8.069 -6.037 1.00 24.41 H new ATOM 0 HD23 LEU A 93 2.556 7.136 -4.590 1.00 24.41 H new ATOM 1579 N TYR A 94 4.854 3.348 -5.477 1.00 62.42 N ATOM 1580 CA TYR A 94 5.506 2.612 -4.404 1.00 42.52 C ATOM 1581 C TYR A 94 6.788 1.955 -4.901 1.00 73.20 C ATOM 1582 O TYR A 94 7.833 2.139 -4.282 1.00 63.02 O ATOM 1583 CB TYR A 94 4.569 1.553 -3.800 1.00 5.32 C ATOM 1584 CG TYR A 94 5.291 0.675 -2.793 1.00 33.45 C ATOM 1585 CD1 TYR A 94 5.781 1.238 -1.599 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.578 -0.670 -3.097 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.593 0.472 -0.746 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.374 -1.447 -2.234 1.00 73.21 C ATOM 1589 CZ TYR A 94 6.902 -0.864 -1.061 1.00 54.02 C ATOM 1590 OH TYR A 94 7.700 -1.551 -0.206 1.00 52.45 O ATOM 0 H TYR A 94 3.895 3.041 -5.638 1.00 62.42 H new ATOM 0 HA TYR A 94 5.758 3.328 -3.622 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.727 2.046 -3.315 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.159 0.932 -4.597 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.533 2.257 -1.339 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.184 -1.110 -4.001 1.00 12.54 H new ATOM 0 HE1 TYR A 94 6.983 0.913 0.159 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.579 -2.481 -2.467 1.00 73.21 H new ATOM 0 HH TYR A 94 7.833 -2.462 -0.543 1.00 52.45 H new ATOM 1600 N LYS A 95 6.743 1.209 -6.015 1.00 41.45 N ATOM 1601 CA LYS A 95 7.953 0.528 -6.472 1.00 54.30 C ATOM 1602 C LYS A 95 9.062 1.537 -6.782 1.00 22.23 C ATOM 1603 O LYS A 95 10.182 1.334 -6.329 1.00 35.23 O ATOM 1604 CB LYS A 95 7.681 -0.450 -7.626 1.00 32.21 C ATOM 1605 CG LYS A 95 8.646 -1.645 -7.530 1.00 61.25 C ATOM 1606 CD LYS A 95 8.435 -2.716 -8.607 1.00 54.15 C ATOM 1607 CE LYS A 95 8.931 -2.235 -9.975 1.00 22.41 C ATOM 1608 NZ LYS A 95 9.072 -3.334 -10.950 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.915 1.067 -6.593 1.00 41.45 H new ATOM 0 HA LYS A 95 8.311 -0.096 -5.653 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.649 -0.799 -7.584 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.808 0.057 -8.583 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.670 -1.276 -7.597 1.00 61.25 H new ATOM 0 HG3 LYS A 95 8.537 -2.107 -6.549 1.00 61.25 H new ATOM 0 HD2 LYS A 95 8.964 -3.627 -8.326 1.00 54.15 H new ATOM 0 HD3 LYS A 95 7.376 -2.968 -8.670 1.00 54.15 H new ATOM 0 HE2 LYS A 95 8.236 -1.493 -10.368 1.00 22.41 H new ATOM 0 HE3 LYS A 95 9.893 -1.737 -9.853 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 9.410 -2.953 -11.857 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 9.756 -4.031 -10.591 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 8.150 -3.794 -11.090 1.00 12.11 H new ATOM 1622 N HIS A 96 8.769 2.643 -7.481 1.00 2.14 N ATOM 1623 CA HIS A 96 9.748 3.734 -7.618 1.00 2.00 C ATOM 1624 C HIS A 96 10.167 4.285 -6.242 1.00 64.43 C ATOM 1625 O HIS A 96 11.346 4.541 -5.996 1.00 42.32 O ATOM 1626 CB HIS A 96 9.186 4.860 -8.501 1.00 24.51 C ATOM 1627 CG HIS A 96 9.411 4.701 -9.986 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.737 3.548 -10.674 1.00 42.35 N ATOM 1629 CD2 HIS A 96 9.338 5.716 -10.901 1.00 62.44 C ATOM 1630 CE1 HIS A 96 9.848 3.863 -11.977 1.00 43.34 C ATOM 1631 NE2 HIS A 96 9.544 5.159 -12.166 1.00 62.31 N ATOM 0 H HIS A 96 7.879 2.806 -7.953 1.00 2.14 H new ATOM 0 HA HIS A 96 10.636 3.325 -8.100 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.114 4.937 -8.321 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.632 5.803 -8.183 1.00 24.51 H new ATOM 0 HD2 HIS A 96 9.155 6.758 -10.685 1.00 62.44 H new ATOM 0 HE1 HIS A 96 10.139 3.175 -12.757 1.00 43.34 H new ATOM 0 HE2 HIS A 96 9.477 5.643 -13.061 1.00 62.31 H new ATOM 1639 N ALA A 97 9.211 4.457 -5.325 1.00 74.32 N ATOM 1640 CA ALA A 97 9.439 5.058 -4.023 1.00 62.11 C ATOM 1641 C ALA A 97 10.506 4.294 -3.251 1.00 21.45 C ATOM 1642 O ALA A 97 11.406 4.938 -2.710 1.00 62.01 O ATOM 1643 CB ALA A 97 8.151 5.161 -3.194 1.00 12.11 C ATOM 0 H ALA A 97 8.243 4.175 -5.476 1.00 74.32 H new ATOM 0 HA ALA A 97 9.792 6.073 -4.203 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.375 5.617 -2.229 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.424 5.775 -3.726 1.00 12.11 H new ATOM 0 HB3 ALA A 97 7.738 4.164 -3.037 1.00 12.11 H new ATOM 1649 N ILE A 98 10.411 2.964 -3.199 1.00 4.01 N ATOM 1650 CA ILE A 98 11.412 2.152 -2.524 1.00 65.43 C ATOM 1651 C ILE A 98 12.685 2.056 -3.366 1.00 70.52 C ATOM 1652 O ILE A 98 13.770 2.239 -2.822 1.00 31.14 O ATOM 1653 CB ILE A 98 10.815 0.795 -2.096 1.00 34.23 C ATOM 1654 CG1 ILE A 98 11.744 0.122 -1.065 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.455 -0.149 -3.255 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.032 -0.964 -0.257 1.00 25.45 C ATOM 0 H ILE A 98 9.649 2.431 -3.618 1.00 4.01 H new ATOM 0 HA ILE A 98 11.717 2.636 -1.596 1.00 65.43 H new ATOM 0 HB ILE A 98 9.852 1.013 -1.634 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.599 -0.315 -1.581 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.136 0.879 -0.385 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.043 -1.076 -2.855 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.716 0.329 -3.897 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.351 -0.371 -3.835 1.00 12.03 H new ATOM 0 HD11 ILE A 98 11.731 -1.406 0.454 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.194 -0.525 0.283 1.00 25.45 H new ATOM 0 HD13 ILE A 98 10.664 -1.737 -0.932 1.00 25.45 H new ATOM 1668 N LYS A 99 12.575 1.861 -4.690 1.00 65.44 N ATOM 1669 CA LYS A 99 13.726 1.792 -5.597 1.00 2.32 C ATOM 1670 C LYS A 99 14.684 2.968 -5.436 1.00 44.52 C ATOM 1671 O LYS A 99 15.888 2.782 -5.601 1.00 12.43 O ATOM 1672 CB LYS A 99 13.297 1.727 -7.068 1.00 70.12 C ATOM 1673 CG LYS A 99 13.045 0.303 -7.579 1.00 70.31 C ATOM 1674 CD LYS A 99 12.865 0.266 -9.105 1.00 52.12 C ATOM 1675 CE LYS A 99 14.147 0.721 -9.818 1.00 11.33 C ATOM 1676 NZ LYS A 99 14.174 0.391 -11.254 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.678 1.746 -5.162 1.00 65.44 H new ATOM 0 HA LYS A 99 14.243 0.874 -5.318 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.389 2.315 -7.198 1.00 70.12 H new ATOM 0 HB3 LYS A 99 14.068 2.192 -7.682 1.00 70.12 H new ATOM 0 HG2 LYS A 99 13.880 -0.337 -7.296 1.00 70.31 H new ATOM 0 HG3 LYS A 99 12.155 -0.103 -7.098 1.00 70.31 H new ATOM 0 HD2 LYS A 99 12.608 -0.745 -9.421 1.00 52.12 H new ATOM 0 HD3 LYS A 99 12.035 0.911 -9.393 1.00 52.12 H new ATOM 0 HE2 LYS A 99 14.255 1.799 -9.700 1.00 11.33 H new ATOM 0 HE3 LYS A 99 15.006 0.259 -9.332 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 15.066 0.727 -11.671 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 14.101 -0.639 -11.375 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 13.374 0.853 -11.731 1.00 60.11 H new ATOM 1690 N LYS A 100 14.195 4.168 -5.102 1.00 42.13 N ATOM 1691 CA LYS A 100 15.040 5.349 -4.926 1.00 4.50 C ATOM 1692 C LYS A 100 16.161 5.029 -3.942 1.00 64.53 C ATOM 1693 O LYS A 100 17.312 5.390 -4.147 1.00 65.31 O ATOM 1694 CB LYS A 100 14.167 6.525 -4.444 1.00 23.44 C ATOM 1695 CG LYS A 100 14.080 6.896 -2.950 1.00 42.32 C ATOM 1696 CD LYS A 100 13.454 8.282 -2.721 1.00 74.15 C ATOM 1697 CE LYS A 100 12.041 8.505 -3.276 1.00 14.21 C ATOM 1698 NZ LYS A 100 11.018 7.729 -2.549 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.203 4.345 -4.947 1.00 42.13 H new ATOM 0 HA LYS A 100 15.502 5.636 -5.871 1.00 4.50 H new ATOM 0 HB2 LYS A 100 14.510 7.414 -4.973 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.150 6.326 -4.782 1.00 23.44 H new ATOM 0 HG2 LYS A 100 13.490 6.144 -2.426 1.00 42.32 H new ATOM 0 HG3 LYS A 100 15.080 6.876 -2.516 1.00 42.32 H new ATOM 0 HD2 LYS A 100 13.431 8.471 -1.648 1.00 74.15 H new ATOM 0 HD3 LYS A 100 14.114 9.029 -3.162 1.00 74.15 H new ATOM 0 HE2 LYS A 100 11.796 9.566 -3.220 1.00 14.21 H new ATOM 0 HE3 LYS A 100 12.021 8.229 -4.330 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 10.099 7.835 -3.025 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 11.288 6.725 -2.537 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 10.945 8.080 -1.573 1.00 55.41 H new ATOM 1712 N ARG A 101 15.772 4.352 -2.866 1.00 13.00 N ATOM 1713 CA ARG A 101 16.622 3.902 -1.762 1.00 21.24 C ATOM 1714 C ARG A 101 17.502 2.688 -2.099 1.00 32.44 C ATOM 1715 O ARG A 101 18.342 2.320 -1.274 1.00 41.23 O ATOM 1716 CB ARG A 101 15.728 3.579 -0.540 1.00 43.10 C ATOM 1717 CG ARG A 101 16.031 4.444 0.686 1.00 13.42 C ATOM 1718 CD ARG A 101 15.593 5.890 0.458 1.00 31.55 C ATOM 1719 NE ARG A 101 15.750 6.693 1.681 1.00 14.22 N ATOM 1720 CZ ARG A 101 14.889 7.594 2.165 1.00 32.10 C ATOM 1721 NH1 ARG A 101 13.767 7.890 1.514 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 15.157 8.191 3.311 1.00 74.22 N ATOM 0 H ARG A 101 14.797 4.085 -2.731 1.00 13.00 H new ATOM 0 HA ARG A 101 17.312 4.717 -1.545 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.683 3.713 -0.819 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.855 2.530 -0.274 1.00 43.10 H new ATOM 0 HG2 ARG A 101 15.518 4.038 1.558 1.00 13.42 H new ATOM 0 HG3 ARG A 101 17.099 4.414 0.902 1.00 13.42 H new ATOM 0 HD2 ARG A 101 16.183 6.329 -0.347 1.00 31.55 H new ATOM 0 HD3 ARG A 101 14.551 5.911 0.137 1.00 31.55 H new ATOM 0 HE ARG A 101 16.606 6.547 2.216 1.00 14.22 H new ATOM 0 HH11 ARG A 101 13.552 7.427 0.631 1.00 32.33 H new ATOM 0 HH12 ARG A 101 13.121 8.580 1.898 1.00 32.33 H new ATOM 0 HH21 ARG A 101 16.013 7.963 3.817 1.00 74.22 H new ATOM 0 HH22 ARG A 101 14.508 8.880 3.691 1.00 74.22 H new