USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 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 30 SER OG : rot -73:sc= 0.572 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.2) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00688 USER MOD Single : A 8 HIS : no HD1:sc= -0.13 K(o=-0.13,f=-0.99) USER MOD Single : A 11 LYS NZ :NH3+ -141:sc= 1.17 (180deg=-0.384) USER MOD Single : A 12 SER OG : rot 78:sc= 1.04 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 36 HIS : no HE2:sc= 1.05 K(o=1,f=-3.8!) USER MOD Single : A 38 MET CE :methyl -156:sc= -0.188 (180deg=-0.895) USER MOD Single : A 41 MET CE :methyl -157:sc= -0.204 (180deg=-0.874) USER MOD Single : A 43 MET CE :methyl -151:sc= -0.902 (180deg=-2.02) USER MOD Single : A 53 SER OG : rot -27:sc= 0.0447 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= 1.04 (180deg=0.446) USER MOD Single : A 59 SER OG : rot -35:sc= 0.351 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.628 USER MOD Single : A 65 TYR OH : rot 102:sc= 1.18 USER MOD Single : A 71 GLN : amide:sc= 0.0969 K(o=0.097,f=-8.9!) USER MOD Single : A 72 THR OG1 : rot 76:sc= 2.12 USER MOD Single : A 73 SER OG : rot 79:sc= 0.461 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -1.24! C(o=-1.2!,f=-1.7!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 91 LYS NZ :NH3+ -139:sc= 0.744 (180deg=0.0589) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 4.097 0.602 10.943 1.00 54.13 N ATOM 50 CA GLN A 4 4.399 -0.362 9.871 1.00 44.32 C ATOM 51 C GLN A 4 3.762 -1.728 10.146 1.00 73.32 C ATOM 52 O GLN A 4 3.185 -1.964 11.210 1.00 64.33 O ATOM 53 CB GLN A 4 5.919 -0.536 9.647 1.00 24.33 C ATOM 54 CG GLN A 4 6.814 0.270 10.578 1.00 44.32 C ATOM 55 CD GLN A 4 6.855 -0.294 11.985 1.00 64.12 C ATOM 56 OE1 GLN A 4 6.098 0.114 12.856 1.00 51.44 O ATOM 57 NE2 GLN A 4 7.723 -1.258 12.207 1.00 13.10 N ATOM 0 HA GLN A 4 3.967 0.055 8.961 1.00 44.32 H new ATOM 0 HB2 GLN A 4 6.167 -1.592 9.757 1.00 24.33 H new ATOM 0 HB3 GLN A 4 6.151 -0.260 8.618 1.00 24.33 H new ATOM 0 HG2 GLN A 4 7.825 0.295 10.172 1.00 44.32 H new ATOM 0 HG3 GLN A 4 6.459 1.300 10.614 1.00 44.32 H new ATOM 0 HE21 GLN A 4 8.338 -1.573 11.457 1.00 13.10 H new ATOM 0 HE22 GLN A 4 7.780 -1.690 13.129 1.00 13.10 H new ATOM 66 N SER A 5 3.864 -2.620 9.166 1.00 62.40 N ATOM 67 CA SER A 5 3.374 -3.995 9.302 1.00 62.41 C ATOM 68 C SER A 5 4.134 -4.942 8.374 1.00 53.11 C ATOM 69 O SER A 5 4.643 -4.532 7.330 1.00 1.33 O ATOM 70 CB SER A 5 1.872 -4.079 8.990 1.00 40.43 C ATOM 71 OG SER A 5 1.414 -5.425 9.028 1.00 14.42 O ATOM 0 H SER A 5 4.285 -2.416 8.260 1.00 62.40 H new ATOM 0 HA SER A 5 3.541 -4.297 10.336 1.00 62.41 H new ATOM 0 HB2 SER A 5 1.314 -3.482 9.711 1.00 40.43 H new ATOM 0 HB3 SER A 5 1.678 -3.654 8.005 1.00 40.43 H new ATOM 0 HG SER A 5 0.455 -5.450 8.828 1.00 14.42 H new ATOM 77 N ASP A 6 4.211 -6.206 8.763 1.00 21.42 N ATOM 78 CA ASP A 6 4.859 -7.230 7.945 1.00 13.33 C ATOM 79 C ASP A 6 3.917 -7.717 6.828 1.00 42.02 C ATOM 80 O ASP A 6 2.687 -7.636 6.954 1.00 4.22 O ATOM 81 CB ASP A 6 5.298 -8.399 8.834 1.00 10.20 C ATOM 82 CG ASP A 6 5.955 -9.517 8.046 1.00 75.21 C ATOM 83 OD1 ASP A 6 5.224 -10.352 7.479 1.00 54.22 O ATOM 84 OD2 ASP A 6 7.199 -9.557 7.971 1.00 52.05 O ATOM 0 H ASP A 6 3.832 -6.552 9.644 1.00 21.42 H new ATOM 0 HA ASP A 6 5.739 -6.796 7.470 1.00 13.33 H new ATOM 0 HB2 ASP A 6 5.994 -8.035 9.590 1.00 10.20 H new ATOM 0 HB3 ASP A 6 4.431 -8.794 9.363 1.00 10.20 H new ATOM 89 N ALA A 7 4.501 -8.234 5.746 1.00 72.12 N ATOM 90 CA ALA A 7 3.732 -8.679 4.583 1.00 35.33 C ATOM 91 C ALA A 7 2.696 -9.763 4.942 1.00 64.12 C ATOM 92 O ALA A 7 1.517 -9.631 4.605 1.00 54.52 O ATOM 93 CB ALA A 7 4.673 -9.181 3.493 1.00 23.23 C ATOM 0 H ALA A 7 5.509 -8.355 5.651 1.00 72.12 H new ATOM 0 HA ALA A 7 3.175 -7.818 4.213 1.00 35.33 H new ATOM 0 HB1 ALA A 7 4.090 -9.510 2.632 1.00 23.23 H new ATOM 0 HB2 ALA A 7 5.343 -8.376 3.192 1.00 23.23 H new ATOM 0 HB3 ALA A 7 5.259 -10.017 3.875 1.00 23.23 H new ATOM 99 N HIS A 8 3.120 -10.831 5.636 1.00 64.31 N ATOM 100 CA HIS A 8 2.192 -11.925 5.978 1.00 0.43 C ATOM 101 C HIS A 8 1.219 -11.547 7.101 1.00 51.00 C ATOM 102 O HIS A 8 0.119 -12.096 7.169 1.00 40.24 O ATOM 103 CB HIS A 8 2.917 -13.256 6.273 1.00 13.32 C ATOM 104 CG HIS A 8 4.119 -13.176 7.156 1.00 41.31 C ATOM 105 ND1 HIS A 8 5.401 -13.291 6.667 1.00 65.33 N ATOM 106 CD2 HIS A 8 4.244 -13.062 8.498 1.00 71.23 C ATOM 107 CE1 HIS A 8 6.257 -13.259 7.659 1.00 75.52 C ATOM 108 NE2 HIS A 8 5.586 -13.118 8.784 1.00 1.23 N ATOM 0 H HIS A 8 4.076 -10.962 5.966 1.00 64.31 H new ATOM 0 HA HIS A 8 1.591 -12.088 5.083 1.00 0.43 H new ATOM 0 HB2 HIS A 8 2.202 -13.940 6.730 1.00 13.32 H new ATOM 0 HB3 HIS A 8 3.219 -13.698 5.324 1.00 13.32 H new ATOM 0 HD2 HIS A 8 3.440 -12.948 9.210 1.00 71.23 H new ATOM 0 HE1 HIS A 8 7.331 -13.335 7.569 1.00 75.52 H new ATOM 0 HE2 HIS A 8 5.997 -13.060 9.716 1.00 1.23 H new ATOM 117 N VAL A 9 1.604 -10.614 7.971 1.00 62.41 N ATOM 118 CA VAL A 9 0.664 -10.088 8.971 1.00 3.01 C ATOM 119 C VAL A 9 -0.534 -9.420 8.276 1.00 73.44 C ATOM 120 O VAL A 9 -1.691 -9.654 8.636 1.00 62.03 O ATOM 121 CB VAL A 9 1.333 -9.067 9.926 1.00 4.00 C ATOM 122 CG1 VAL A 9 0.298 -8.456 10.877 1.00 12.44 C ATOM 123 CG2 VAL A 9 2.466 -9.731 10.709 1.00 10.23 C ATOM 0 H VAL A 9 2.540 -10.211 8.008 1.00 62.41 H new ATOM 0 HA VAL A 9 0.327 -10.936 9.567 1.00 3.01 H new ATOM 0 HB VAL A 9 1.758 -8.261 9.327 1.00 4.00 H new ATOM 0 HG11 VAL A 9 0.789 -7.742 11.539 1.00 12.44 H new ATOM 0 HG12 VAL A 9 -0.471 -7.945 10.298 1.00 12.44 H new ATOM 0 HG13 VAL A 9 -0.161 -9.246 11.472 1.00 12.44 H new ATOM 0 HG21 VAL A 9 2.925 -9.000 11.375 1.00 10.23 H new ATOM 0 HG22 VAL A 9 2.066 -10.557 11.297 1.00 10.23 H new ATOM 0 HG23 VAL A 9 3.215 -10.110 10.014 1.00 10.23 H new ATOM 133 N LEU A 10 -0.242 -8.601 7.266 1.00 73.05 N ATOM 134 CA LEU A 10 -1.286 -7.964 6.455 1.00 1.24 C ATOM 135 C LEU A 10 -2.039 -9.004 5.611 1.00 34.24 C ATOM 136 O LEU A 10 -3.268 -9.009 5.564 1.00 33.43 O ATOM 137 CB LEU A 10 -0.671 -6.887 5.548 1.00 24.32 C ATOM 138 CG LEU A 10 -1.667 -6.152 4.630 1.00 4.21 C ATOM 139 CD1 LEU A 10 -2.786 -5.509 5.443 1.00 72.00 C ATOM 140 CD2 LEU A 10 -0.946 -5.107 3.780 1.00 3.03 C ATOM 0 H LEU A 10 0.709 -8.361 6.987 1.00 73.05 H new ATOM 0 HA LEU A 10 -2.001 -7.493 7.130 1.00 1.24 H new ATOM 0 HB2 LEU A 10 -0.169 -6.150 6.175 1.00 24.32 H new ATOM 0 HB3 LEU A 10 0.095 -7.352 4.927 1.00 24.32 H new ATOM 0 HG LEU A 10 -2.116 -6.886 3.961 1.00 4.21 H new ATOM 0 HD11 LEU A 10 -3.475 -4.997 4.772 1.00 72.00 H new ATOM 0 HD12 LEU A 10 -3.323 -6.280 5.996 1.00 72.00 H new ATOM 0 HD13 LEU A 10 -2.360 -4.790 6.143 1.00 72.00 H new ATOM 0 HD21 LEU A 10 -1.667 -4.599 3.139 1.00 3.03 H new ATOM 0 HD22 LEU A 10 -0.463 -4.378 4.431 1.00 3.03 H new ATOM 0 HD23 LEU A 10 -0.193 -5.597 3.163 1.00 3.03 H new ATOM 152 N LYS A 11 -1.286 -9.892 4.957 1.00 12.23 N ATOM 153 CA LYS A 11 -1.866 -10.981 4.158 1.00 4.12 C ATOM 154 C LYS A 11 -2.860 -11.816 4.981 1.00 61.02 C ATOM 155 O LYS A 11 -3.933 -12.190 4.504 1.00 1.14 O ATOM 156 CB LYS A 11 -0.744 -11.889 3.628 1.00 73.45 C ATOM 157 CG LYS A 11 -1.238 -13.046 2.768 1.00 42.42 C ATOM 158 CD LYS A 11 -0.144 -14.083 2.529 1.00 34.44 C ATOM 159 CE LYS A 11 -0.701 -15.345 1.878 1.00 51.15 C ATOM 160 NZ LYS A 11 0.317 -16.423 1.777 1.00 1.22 N ATOM 0 H LYS A 11 -0.266 -9.880 4.964 1.00 12.23 H new ATOM 0 HA LYS A 11 -2.408 -10.535 3.324 1.00 4.12 H new ATOM 0 HB2 LYS A 11 -0.048 -11.287 3.044 1.00 73.45 H new ATOM 0 HB3 LYS A 11 -0.186 -12.291 4.474 1.00 73.45 H new ATOM 0 HG2 LYS A 11 -2.090 -13.522 3.254 1.00 42.42 H new ATOM 0 HG3 LYS A 11 -1.590 -12.662 1.811 1.00 42.42 H new ATOM 0 HD2 LYS A 11 0.631 -13.656 1.892 1.00 34.44 H new ATOM 0 HD3 LYS A 11 0.328 -14.340 3.477 1.00 34.44 H new ATOM 0 HE2 LYS A 11 -1.552 -15.705 2.457 1.00 51.15 H new ATOM 0 HE3 LYS A 11 -1.072 -15.104 0.882 1.00 51.15 H new ATOM 0 HZ1 LYS A 11 0.209 -16.918 0.869 1.00 1.22 H new ATOM 0 HZ2 LYS A 11 1.269 -16.008 1.834 1.00 1.22 H new ATOM 0 HZ3 LYS A 11 0.186 -17.098 2.557 1.00 1.22 H new ATOM 174 N SER A 12 -2.499 -12.078 6.234 1.00 44.34 N ATOM 175 CA SER A 12 -3.325 -12.901 7.124 1.00 21.15 C ATOM 176 C SER A 12 -4.516 -12.092 7.606 1.00 21.30 C ATOM 177 O SER A 12 -5.632 -12.588 7.686 1.00 32.01 O ATOM 178 CB SER A 12 -2.522 -13.417 8.328 1.00 73.43 C ATOM 179 OG SER A 12 -1.442 -14.243 7.918 1.00 74.13 O ATOM 0 H SER A 12 -1.639 -11.733 6.660 1.00 44.34 H new ATOM 0 HA SER A 12 -3.669 -13.767 6.559 1.00 21.15 H new ATOM 0 HB2 SER A 12 -2.138 -12.572 8.900 1.00 73.43 H new ATOM 0 HB3 SER A 12 -3.180 -13.979 8.991 1.00 73.43 H new ATOM 0 HG SER A 12 -0.710 -13.683 7.586 1.00 74.13 H new ATOM 185 N ARG A 13 -4.264 -10.827 7.914 1.00 61.11 N ATOM 186 CA ARG A 13 -5.329 -9.897 8.264 1.00 20.13 C ATOM 187 C ARG A 13 -6.328 -9.738 7.096 1.00 41.23 C ATOM 188 O ARG A 13 -7.510 -9.473 7.304 1.00 41.51 O ATOM 189 CB ARG A 13 -4.739 -8.531 8.658 1.00 72.52 C ATOM 190 CG ARG A 13 -5.798 -7.451 8.717 1.00 5.23 C ATOM 191 CD ARG A 13 -5.278 -6.087 9.165 1.00 13.30 C ATOM 192 NE ARG A 13 -6.383 -5.128 9.278 1.00 31.35 N ATOM 193 CZ ARG A 13 -6.277 -3.909 9.747 1.00 30.55 C ATOM 194 NH1 ARG A 13 -5.136 -3.434 10.131 1.00 31.00 N ATOM 195 NH2 ARG A 13 -7.331 -3.161 9.826 1.00 71.01 N ATOM 0 H ARG A 13 -3.329 -10.420 7.929 1.00 61.11 H new ATOM 0 HA ARG A 13 -5.869 -10.303 9.119 1.00 20.13 H new ATOM 0 HB2 ARG A 13 -4.251 -8.614 9.629 1.00 72.52 H new ATOM 0 HB3 ARG A 13 -3.971 -8.247 7.939 1.00 72.52 H new ATOM 0 HG2 ARG A 13 -6.251 -7.348 7.731 1.00 5.23 H new ATOM 0 HG3 ARG A 13 -6.587 -7.768 9.399 1.00 5.23 H new ATOM 0 HD2 ARG A 13 -4.771 -6.182 10.125 1.00 13.30 H new ATOM 0 HD3 ARG A 13 -4.541 -5.719 8.451 1.00 13.30 H new ATOM 0 HE ARG A 13 -7.305 -5.434 8.967 1.00 31.35 H new ATOM 0 HH11 ARG A 13 -4.297 -4.011 10.072 1.00 31.00 H new ATOM 0 HH12 ARG A 13 -5.076 -2.482 10.493 1.00 31.00 H new ATOM 0 HH21 ARG A 13 -8.236 -3.522 9.524 1.00 71.01 H new ATOM 0 HH22 ARG A 13 -7.256 -2.211 10.190 1.00 71.01 H new ATOM 209 N LEU A 14 -5.840 -9.912 5.869 1.00 65.44 N ATOM 210 CA LEU A 14 -6.669 -9.802 4.672 1.00 43.44 C ATOM 211 C LEU A 14 -7.540 -11.056 4.452 1.00 51.42 C ATOM 212 O LEU A 14 -8.762 -10.965 4.327 1.00 74.31 O ATOM 213 CB LEU A 14 -5.762 -9.566 3.453 1.00 33.33 C ATOM 214 CG LEU A 14 -6.467 -9.589 2.093 1.00 35.33 C ATOM 215 CD1 LEU A 14 -7.494 -8.464 1.984 1.00 34.44 C ATOM 216 CD2 LEU A 14 -5.454 -9.512 0.952 1.00 21.31 C ATOM 0 H LEU A 14 -4.863 -10.132 5.678 1.00 65.44 H new ATOM 0 HA LEU A 14 -7.348 -8.960 4.805 1.00 43.44 H new ATOM 0 HB2 LEU A 14 -5.268 -8.601 3.571 1.00 33.33 H new ATOM 0 HB3 LEU A 14 -4.981 -10.326 3.451 1.00 33.33 H new ATOM 0 HG LEU A 14 -6.999 -10.537 2.011 1.00 35.33 H new ATOM 0 HD11 LEU A 14 -7.978 -8.506 1.008 1.00 34.44 H new ATOM 0 HD12 LEU A 14 -8.244 -8.579 2.766 1.00 34.44 H new ATOM 0 HD13 LEU A 14 -6.994 -7.502 2.100 1.00 34.44 H new ATOM 0 HD21 LEU A 14 -5.979 -9.530 -0.003 1.00 21.31 H new ATOM 0 HD22 LEU A 14 -4.883 -8.587 1.034 1.00 21.31 H new ATOM 0 HD23 LEU A 14 -4.776 -10.364 1.009 1.00 21.31 H new ATOM 228 N GLU A 15 -6.902 -12.225 4.398 1.00 32.22 N ATOM 229 CA GLU A 15 -7.604 -13.487 4.104 1.00 22.23 C ATOM 230 C GLU A 15 -8.238 -14.131 5.355 1.00 23.22 C ATOM 231 O GLU A 15 -9.121 -14.983 5.242 1.00 72.20 O ATOM 232 CB GLU A 15 -6.634 -14.480 3.446 1.00 74.31 C ATOM 233 CG GLU A 15 -6.061 -14.002 2.113 1.00 35.31 C ATOM 234 CD GLU A 15 -5.144 -15.030 1.461 1.00 15.54 C ATOM 235 OE1 GLU A 15 -5.659 -16.024 0.896 1.00 3.23 O ATOM 236 OE2 GLU A 15 -3.911 -14.854 1.501 1.00 1.11 O ATOM 0 H GLU A 15 -5.899 -12.331 4.553 1.00 32.22 H new ATOM 0 HA GLU A 15 -8.420 -13.244 3.423 1.00 22.23 H new ATOM 0 HB2 GLU A 15 -5.811 -14.677 4.133 1.00 74.31 H new ATOM 0 HB3 GLU A 15 -7.151 -15.426 3.288 1.00 74.31 H new ATOM 0 HG2 GLU A 15 -6.881 -13.770 1.433 1.00 35.31 H new ATOM 0 HG3 GLU A 15 -5.507 -13.077 2.272 1.00 35.31 H new ATOM 243 N TRP A 16 -7.784 -13.732 6.541 1.00 4.45 N ATOM 244 CA TRP A 16 -8.274 -14.313 7.806 1.00 71.02 C ATOM 245 C TRP A 16 -8.827 -13.240 8.764 1.00 74.51 C ATOM 246 O TRP A 16 -9.902 -13.403 9.345 1.00 62.33 O ATOM 247 CB TRP A 16 -7.142 -15.072 8.520 1.00 43.44 C ATOM 248 CG TRP A 16 -6.657 -16.294 7.801 1.00 71.24 C ATOM 249 CD1 TRP A 16 -5.915 -16.336 6.657 1.00 12.45 C ATOM 250 CD2 TRP A 16 -6.873 -17.655 8.190 1.00 1.35 C ATOM 251 NE1 TRP A 16 -5.664 -17.640 6.305 1.00 10.42 N ATOM 252 CE2 TRP A 16 -6.240 -18.469 7.233 1.00 13.14 C ATOM 253 CE3 TRP A 16 -7.540 -18.263 9.255 1.00 44.52 C ATOM 254 CZ2 TRP A 16 -6.259 -19.860 7.308 1.00 44.31 C ATOM 255 CZ3 TRP A 16 -7.557 -19.643 9.331 1.00 32.34 C ATOM 256 CH2 TRP A 16 -6.919 -20.429 8.364 1.00 2.33 C ATOM 0 H TRP A 16 -7.076 -13.008 6.661 1.00 4.45 H new ATOM 0 HA TRP A 16 -9.084 -14.994 7.545 1.00 71.02 H new ATOM 0 HB2 TRP A 16 -6.301 -14.393 8.662 1.00 43.44 H new ATOM 0 HB3 TRP A 16 -7.488 -15.364 9.512 1.00 43.44 H new ATOM 0 HD1 TRP A 16 -5.575 -15.470 6.108 1.00 12.45 H new ATOM 0 HE1 TRP A 16 -5.135 -17.942 5.487 1.00 10.42 H new ATOM 0 HE3 TRP A 16 -8.034 -17.665 10.007 1.00 44.52 H new ATOM 0 HZ2 TRP A 16 -5.771 -20.467 6.560 1.00 44.31 H new ATOM 0 HZ3 TRP A 16 -8.071 -20.123 10.150 1.00 32.34 H new ATOM 0 HH2 TRP A 16 -6.948 -21.505 8.453 1.00 2.33 H new ATOM 267 N GLY A 17 -8.075 -12.152 8.928 1.00 75.23 N ATOM 268 CA GLY A 17 -8.402 -11.142 9.933 1.00 54.01 C ATOM 269 C GLY A 17 -9.488 -10.154 9.517 1.00 60.41 C ATOM 270 O GLY A 17 -10.431 -10.503 8.807 1.00 73.40 O ATOM 0 H GLY A 17 -7.239 -11.948 8.380 1.00 75.23 H new ATOM 0 HA2 GLY A 17 -8.720 -11.647 10.845 1.00 54.01 H new ATOM 0 HA3 GLY A 17 -7.497 -10.585 10.176 1.00 54.01 H new ATOM 274 N GLU A 18 -9.356 -8.915 9.986 1.00 64.11 N ATOM 275 CA GLU A 18 -10.354 -7.870 9.741 1.00 3.14 C ATOM 276 C GLU A 18 -10.011 -7.028 8.496 1.00 74.05 C ATOM 277 O GLU A 18 -9.073 -6.222 8.512 1.00 42.11 O ATOM 278 CB GLU A 18 -10.466 -6.980 10.985 1.00 14.42 C ATOM 279 CG GLU A 18 -11.526 -5.887 10.884 1.00 60.34 C ATOM 280 CD GLU A 18 -11.793 -5.220 12.224 1.00 42.43 C ATOM 281 OE1 GLU A 18 -12.614 -5.750 12.999 1.00 34.31 O ATOM 282 OE2 GLU A 18 -11.160 -4.182 12.522 1.00 0.51 O ATOM 0 H GLU A 18 -8.560 -8.606 10.544 1.00 64.11 H new ATOM 0 HA GLU A 18 -11.314 -8.348 9.544 1.00 3.14 H new ATOM 0 HB2 GLU A 18 -10.690 -7.608 11.847 1.00 14.42 H new ATOM 0 HB3 GLU A 18 -9.498 -6.515 11.172 1.00 14.42 H new ATOM 0 HG2 GLU A 18 -11.203 -5.135 10.164 1.00 60.34 H new ATOM 0 HG3 GLU A 18 -12.453 -6.316 10.503 1.00 60.34 H new ATOM 289 N PRO A 19 -10.786 -7.193 7.401 1.00 22.34 N ATOM 290 CA PRO A 19 -10.537 -6.511 6.117 1.00 71.03 C ATOM 291 C PRO A 19 -10.961 -5.026 6.101 1.00 64.35 C ATOM 292 O PRO A 19 -11.203 -4.455 5.035 1.00 22.40 O ATOM 293 CB PRO A 19 -11.384 -7.322 5.108 1.00 23.31 C ATOM 294 CG PRO A 19 -11.918 -8.497 5.869 1.00 24.03 C ATOM 295 CD PRO A 19 -11.957 -8.073 7.309 1.00 24.31 C ATOM 0 HA PRO A 19 -9.471 -6.484 5.893 1.00 71.03 H new ATOM 0 HB2 PRO A 19 -12.196 -6.717 4.704 1.00 23.31 H new ATOM 0 HB3 PRO A 19 -10.778 -7.647 4.262 1.00 23.31 H new ATOM 0 HG2 PRO A 19 -12.912 -8.772 5.516 1.00 24.03 H new ATOM 0 HG3 PRO A 19 -11.280 -9.371 5.736 1.00 24.03 H new ATOM 0 HD2 PRO A 19 -12.881 -7.550 7.555 1.00 24.31 H new ATOM 0 HD3 PRO A 19 -11.882 -8.923 7.987 1.00 24.31 H new ATOM 303 N ALA A 20 -11.021 -4.394 7.272 1.00 51.42 N ATOM 304 CA ALA A 20 -11.405 -2.976 7.381 1.00 62.23 C ATOM 305 C ALA A 20 -10.239 -2.032 7.016 1.00 63.55 C ATOM 306 O ALA A 20 -10.024 -1.012 7.671 1.00 11.34 O ATOM 307 CB ALA A 20 -11.904 -2.687 8.797 1.00 71.11 C ATOM 0 H ALA A 20 -10.809 -4.838 8.165 1.00 51.42 H new ATOM 0 HA ALA A 20 -12.206 -2.788 6.666 1.00 62.23 H new ATOM 0 HB1 ALA A 20 -12.188 -1.637 8.876 1.00 71.11 H new ATOM 0 HB2 ALA A 20 -12.769 -3.314 9.013 1.00 71.11 H new ATOM 0 HB3 ALA A 20 -11.111 -2.903 9.513 1.00 71.11 H new ATOM 313 N PHE A 21 -9.513 -2.357 5.946 1.00 71.00 N ATOM 314 CA PHE A 21 -8.328 -1.587 5.546 1.00 63.11 C ATOM 315 C PHE A 21 -8.225 -1.455 4.017 1.00 13.45 C ATOM 316 O PHE A 21 -8.813 -2.244 3.274 1.00 2.30 O ATOM 317 CB PHE A 21 -7.053 -2.243 6.103 1.00 35.12 C ATOM 318 CG PHE A 21 -6.801 -3.635 5.581 1.00 32.33 C ATOM 319 CD1 PHE A 21 -7.322 -4.740 6.234 1.00 73.30 C ATOM 320 CD2 PHE A 21 -6.044 -3.836 4.436 1.00 25.32 C ATOM 321 CE1 PHE A 21 -7.092 -6.015 5.759 1.00 2.11 C ATOM 322 CE2 PHE A 21 -5.814 -5.110 3.958 1.00 60.44 C ATOM 323 CZ PHE A 21 -6.339 -6.198 4.620 1.00 12.45 C ATOM 0 H PHE A 21 -9.723 -3.149 5.338 1.00 71.00 H new ATOM 0 HA PHE A 21 -8.431 -0.585 5.963 1.00 63.11 H new ATOM 0 HB2 PHE A 21 -6.197 -1.614 5.859 1.00 35.12 H new ATOM 0 HB3 PHE A 21 -7.121 -2.281 7.190 1.00 35.12 H new ATOM 0 HD1 PHE A 21 -7.915 -4.602 7.126 1.00 73.30 H new ATOM 0 HD2 PHE A 21 -5.630 -2.986 3.913 1.00 25.32 H new ATOM 0 HE1 PHE A 21 -7.502 -6.868 6.279 1.00 2.11 H new ATOM 0 HE2 PHE A 21 -5.223 -5.254 3.066 1.00 60.44 H new ATOM 0 HZ PHE A 21 -6.160 -7.195 4.246 1.00 12.45 H new ATOM 333 N THR A 22 -7.473 -0.457 3.554 1.00 70.44 N ATOM 334 CA THR A 22 -7.293 -0.215 2.111 1.00 23.44 C ATOM 335 C THR A 22 -5.802 -0.229 1.726 1.00 54.01 C ATOM 336 O THR A 22 -4.970 0.341 2.430 1.00 21.00 O ATOM 337 CB THR A 22 -7.911 1.144 1.692 1.00 63.20 C ATOM 338 OG1 THR A 22 -9.276 1.227 2.139 1.00 43.22 O ATOM 339 CG2 THR A 22 -7.853 1.330 0.177 1.00 24.14 C ATOM 0 H THR A 22 -6.975 0.201 4.153 1.00 70.44 H new ATOM 0 HA THR A 22 -7.806 -1.021 1.586 1.00 23.44 H new ATOM 0 HB THR A 22 -7.328 1.937 2.160 1.00 63.20 H new ATOM 0 HG1 THR A 22 -9.656 2.090 1.871 1.00 43.22 H new ATOM 0 HG21 THR A 22 -8.293 2.291 -0.089 1.00 24.14 H new ATOM 0 HG22 THR A 22 -6.815 1.303 -0.153 1.00 24.14 H new ATOM 0 HG23 THR A 22 -8.410 0.529 -0.309 1.00 24.14 H new ATOM 347 N ILE A 23 -5.466 -0.877 0.606 1.00 53.13 N ATOM 348 CA ILE A 23 -4.065 -0.978 0.156 1.00 21.21 C ATOM 349 C ILE A 23 -3.768 0.026 -0.974 1.00 72.23 C ATOM 350 O ILE A 23 -4.513 0.108 -1.951 1.00 64.41 O ATOM 351 CB ILE A 23 -3.716 -2.406 -0.353 1.00 61.41 C ATOM 352 CG1 ILE A 23 -4.056 -3.485 0.698 1.00 15.54 C ATOM 353 CG2 ILE A 23 -2.240 -2.488 -0.746 1.00 12.44 C ATOM 354 CD1 ILE A 23 -5.529 -3.845 0.763 1.00 11.33 C ATOM 0 H ILE A 23 -6.138 -1.339 -0.006 1.00 53.13 H new ATOM 0 HA ILE A 23 -3.451 -0.750 1.027 1.00 21.21 H new ATOM 0 HB ILE A 23 -4.327 -2.600 -1.235 1.00 61.41 H new ATOM 0 HG12 ILE A 23 -3.482 -4.385 0.477 1.00 15.54 H new ATOM 0 HG13 ILE A 23 -3.735 -3.135 1.679 1.00 15.54 H new ATOM 0 HG21 ILE A 23 -2.013 -3.494 -1.100 1.00 12.44 H new ATOM 0 HG22 ILE A 23 -2.034 -1.769 -1.539 1.00 12.44 H new ATOM 0 HG23 ILE A 23 -1.620 -2.260 0.121 1.00 12.44 H new ATOM 0 HD11 ILE A 23 -5.684 -4.609 1.525 1.00 11.33 H new ATOM 0 HD12 ILE A 23 -6.110 -2.958 1.016 1.00 11.33 H new ATOM 0 HD13 ILE A 23 -5.853 -4.227 -0.205 1.00 11.33 H new ATOM 366 N LEU A 24 -2.672 0.779 -0.848 1.00 21.10 N ATOM 367 CA LEU A 24 -2.292 1.776 -1.864 1.00 11.00 C ATOM 368 C LEU A 24 -1.004 1.391 -2.607 1.00 10.53 C ATOM 369 O LEU A 24 0.010 1.059 -1.990 1.00 22.44 O ATOM 370 CB LEU A 24 -2.104 3.157 -1.224 1.00 24.32 C ATOM 371 CG LEU A 24 -3.323 3.710 -0.474 1.00 74.34 C ATOM 372 CD1 LEU A 24 -3.104 5.171 -0.098 1.00 32.41 C ATOM 373 CD2 LEU A 24 -4.594 3.545 -1.302 1.00 72.12 C ATOM 0 H LEU A 24 -2.031 0.721 -0.057 1.00 21.10 H new ATOM 0 HA LEU A 24 -3.107 1.807 -2.587 1.00 11.00 H new ATOM 0 HB2 LEU A 24 -1.265 3.105 -0.530 1.00 24.32 H new ATOM 0 HB3 LEU A 24 -1.828 3.865 -2.005 1.00 24.32 H new ATOM 0 HG LEU A 24 -3.446 3.137 0.445 1.00 74.34 H new ATOM 0 HD11 LEU A 24 -3.979 5.545 0.433 1.00 32.41 H new ATOM 0 HD12 LEU A 24 -2.227 5.254 0.544 1.00 32.41 H new ATOM 0 HD13 LEU A 24 -2.949 5.760 -1.002 1.00 32.41 H new ATOM 0 HD21 LEU A 24 -5.443 3.945 -0.748 1.00 72.12 H new ATOM 0 HD22 LEU A 24 -4.488 4.085 -2.243 1.00 72.12 H new ATOM 0 HD23 LEU A 24 -4.760 2.487 -1.507 1.00 72.12 H new ATOM 385 N ASP A 25 -1.053 1.462 -3.936 1.00 31.31 N ATOM 386 CA ASP A 25 0.113 1.198 -4.782 1.00 53.32 C ATOM 387 C ASP A 25 0.852 2.509 -5.093 1.00 53.40 C ATOM 388 O ASP A 25 0.466 3.243 -6.005 1.00 23.43 O ATOM 389 CB ASP A 25 -0.344 0.534 -6.084 1.00 14.43 C ATOM 390 CG ASP A 25 0.779 -0.148 -6.846 1.00 50.14 C ATOM 391 OD1 ASP A 25 1.933 0.333 -6.807 1.00 33.52 O ATOM 392 OD2 ASP A 25 0.509 -1.193 -7.467 1.00 22.12 O ATOM 0 H ASP A 25 -1.897 1.703 -4.456 1.00 31.31 H new ATOM 0 HA ASP A 25 0.795 0.531 -4.254 1.00 53.32 H new ATOM 0 HB2 ASP A 25 -1.116 -0.201 -5.856 1.00 14.43 H new ATOM 0 HB3 ASP A 25 -0.801 1.287 -6.725 1.00 14.43 H new ATOM 397 N VAL A 26 1.912 2.801 -4.343 1.00 61.00 N ATOM 398 CA VAL A 26 2.590 4.100 -4.452 1.00 53.02 C ATOM 399 C VAL A 26 3.780 4.072 -5.422 1.00 4.15 C ATOM 400 O VAL A 26 4.487 5.068 -5.571 1.00 60.15 O ATOM 401 CB VAL A 26 3.048 4.610 -3.063 1.00 3.22 C ATOM 402 CG1 VAL A 26 1.836 4.816 -2.157 1.00 52.42 C ATOM 403 CG2 VAL A 26 4.056 3.650 -2.432 1.00 13.33 C ATOM 0 H VAL A 26 2.321 2.165 -3.658 1.00 61.00 H new ATOM 0 HA VAL A 26 1.854 4.792 -4.862 1.00 53.02 H new ATOM 0 HB VAL A 26 3.549 5.569 -3.191 1.00 3.22 H new ATOM 0 HG11 VAL A 26 2.167 5.175 -1.182 1.00 52.42 H new ATOM 0 HG12 VAL A 26 1.167 5.550 -2.606 1.00 52.42 H new ATOM 0 HG13 VAL A 26 1.308 3.870 -2.035 1.00 52.42 H new ATOM 0 HG21 VAL A 26 4.361 4.032 -1.458 1.00 13.33 H new ATOM 0 HG22 VAL A 26 3.597 2.669 -2.310 1.00 13.33 H new ATOM 0 HG23 VAL A 26 4.930 3.564 -3.078 1.00 13.33 H new ATOM 413 N ARG A 27 3.985 2.945 -6.101 1.00 44.44 N ATOM 414 CA ARG A 27 5.050 2.839 -7.109 1.00 64.43 C ATOM 415 C ARG A 27 4.767 3.776 -8.294 1.00 20.14 C ATOM 416 O ARG A 27 5.463 4.773 -8.494 1.00 22.24 O ATOM 417 CB ARG A 27 5.172 1.390 -7.601 1.00 72.15 C ATOM 418 CG ARG A 27 5.696 0.421 -6.547 1.00 42.32 C ATOM 419 CD ARG A 27 5.565 -1.030 -6.996 1.00 33.55 C ATOM 420 NE ARG A 27 4.174 -1.442 -7.082 1.00 71.24 N ATOM 421 CZ ARG A 27 3.774 -2.570 -7.581 1.00 44.40 C ATOM 422 NH1 ARG A 27 4.617 -3.420 -8.077 1.00 42.10 N ATOM 423 NH2 ARG A 27 2.524 -2.840 -7.603 1.00 42.54 N ATOM 0 H ARG A 27 3.435 2.095 -5.976 1.00 44.44 H new ATOM 0 HA ARG A 27 5.992 3.137 -6.648 1.00 64.43 H new ATOM 0 HB2 ARG A 27 4.194 1.048 -7.940 1.00 72.15 H new ATOM 0 HB3 ARG A 27 5.836 1.365 -8.465 1.00 72.15 H new ATOM 0 HG2 ARG A 27 6.742 0.643 -6.337 1.00 42.32 H new ATOM 0 HG3 ARG A 27 5.147 0.564 -5.616 1.00 42.32 H new ATOM 0 HD2 ARG A 27 6.042 -1.155 -7.968 1.00 33.55 H new ATOM 0 HD3 ARG A 27 6.094 -1.677 -6.296 1.00 33.55 H new ATOM 0 HE ARG A 27 3.465 -0.801 -6.726 1.00 71.24 H new ATOM 0 HH11 ARG A 27 5.614 -3.207 -8.079 1.00 42.10 H new ATOM 0 HH12 ARG A 27 4.283 -4.302 -8.465 1.00 42.10 H new ATOM 0 HH21 ARG A 27 1.851 -2.170 -7.230 1.00 42.54 H new ATOM 0 HH22 ARG A 27 2.200 -3.725 -7.994 1.00 42.54 H new ATOM 437 N ASP A 28 3.732 3.441 -9.064 1.00 62.05 N ATOM 438 CA ASP A 28 3.285 4.263 -10.192 1.00 50.34 C ATOM 439 C ASP A 28 2.044 3.637 -10.844 1.00 73.43 C ATOM 440 O ASP A 28 1.782 2.448 -10.679 1.00 3.10 O ATOM 441 CB ASP A 28 4.396 4.427 -11.244 1.00 11.44 C ATOM 442 CG ASP A 28 4.049 5.481 -12.281 1.00 2.13 C ATOM 443 OD1 ASP A 28 4.303 6.678 -12.031 1.00 71.55 O ATOM 444 OD2 ASP A 28 3.496 5.123 -13.339 1.00 11.04 O ATOM 0 H ASP A 28 3.180 2.595 -8.925 1.00 62.05 H new ATOM 0 HA ASP A 28 3.035 5.250 -9.804 1.00 50.34 H new ATOM 0 HB2 ASP A 28 5.327 4.700 -10.748 1.00 11.44 H new ATOM 0 HB3 ASP A 28 4.568 3.472 -11.741 1.00 11.44 H new ATOM 449 N ARG A 29 1.294 4.443 -11.586 1.00 22.40 N ATOM 450 CA ARG A 29 0.105 3.965 -12.300 1.00 14.44 C ATOM 451 C ARG A 29 0.458 2.830 -13.290 1.00 42.43 C ATOM 452 O ARG A 29 -0.294 1.867 -13.452 1.00 54.34 O ATOM 453 CB ARG A 29 -0.544 5.138 -13.045 1.00 51.53 C ATOM 454 CG ARG A 29 -1.774 4.753 -13.859 1.00 53.00 C ATOM 455 CD ARG A 29 -2.963 4.386 -12.978 1.00 50.23 C ATOM 456 NE ARG A 29 -4.096 3.915 -13.772 1.00 11.04 N ATOM 457 CZ ARG A 29 -5.347 4.195 -13.525 1.00 1.32 C ATOM 458 NH1 ARG A 29 -5.669 4.972 -12.543 1.00 73.15 N ATOM 459 NH2 ARG A 29 -6.279 3.704 -14.273 1.00 33.11 N ATOM 0 H ARG A 29 1.486 5.437 -11.712 1.00 22.40 H new ATOM 0 HA ARG A 29 -0.597 3.558 -11.572 1.00 14.44 H new ATOM 0 HB2 ARG A 29 -0.825 5.903 -12.322 1.00 51.53 H new ATOM 0 HB3 ARG A 29 0.194 5.585 -13.711 1.00 51.53 H new ATOM 0 HG2 ARG A 29 -2.050 5.583 -14.510 1.00 53.00 H new ATOM 0 HG3 ARG A 29 -1.530 3.909 -14.505 1.00 53.00 H new ATOM 0 HD2 ARG A 29 -2.667 3.612 -12.270 1.00 50.23 H new ATOM 0 HD3 ARG A 29 -3.264 5.254 -12.392 1.00 50.23 H new ATOM 0 HE ARG A 29 -3.894 3.324 -14.579 1.00 11.04 H new ATOM 0 HH11 ARG A 29 -4.942 5.374 -11.951 1.00 73.15 H new ATOM 0 HH12 ARG A 29 -6.650 5.183 -12.360 1.00 73.15 H new ATOM 0 HH21 ARG A 29 -6.037 3.097 -15.057 1.00 33.11 H new ATOM 0 HH22 ARG A 29 -7.256 3.923 -14.080 1.00 33.11 H new ATOM 473 N SER A 30 1.617 2.955 -13.934 1.00 4.14 N ATOM 474 CA SER A 30 2.113 1.948 -14.883 1.00 74.50 C ATOM 475 C SER A 30 2.528 0.668 -14.152 1.00 61.14 C ATOM 476 O SER A 30 2.086 -0.432 -14.494 1.00 23.12 O ATOM 477 CB SER A 30 3.318 2.506 -15.649 1.00 20.13 C ATOM 478 OG SER A 30 4.389 2.804 -14.763 1.00 14.33 O ATOM 0 H SER A 30 2.241 3.753 -13.816 1.00 4.14 H new ATOM 0 HA SER A 30 1.309 1.710 -15.579 1.00 74.50 H new ATOM 0 HB2 SER A 30 3.648 1.782 -16.394 1.00 20.13 H new ATOM 0 HB3 SER A 30 3.026 3.407 -16.188 1.00 20.13 H new ATOM 0 HG SER A 30 4.170 3.605 -14.243 1.00 14.33 H new ATOM 484 N THR A 31 3.387 0.824 -13.145 1.00 51.42 N ATOM 485 CA THR A 31 3.845 -0.300 -12.318 1.00 31.22 C ATOM 486 C THR A 31 2.667 -0.993 -11.613 1.00 4.14 C ATOM 487 O THR A 31 2.712 -2.197 -11.343 1.00 65.44 O ATOM 488 CB THR A 31 4.874 0.167 -11.262 1.00 52.11 C ATOM 489 OG1 THR A 31 5.901 0.944 -11.894 1.00 5.11 O ATOM 490 CG2 THR A 31 5.519 -1.019 -10.552 1.00 35.12 C ATOM 0 H THR A 31 3.784 1.725 -12.878 1.00 51.42 H new ATOM 0 HA THR A 31 4.323 -1.015 -12.988 1.00 31.22 H new ATOM 0 HB THR A 31 4.343 0.770 -10.525 1.00 52.11 H new ATOM 0 HG1 THR A 31 6.549 1.239 -11.221 1.00 5.11 H new ATOM 0 HG21 THR A 31 6.237 -0.656 -9.816 1.00 35.12 H new ATOM 0 HG22 THR A 31 4.749 -1.605 -10.049 1.00 35.12 H new ATOM 0 HG23 THR A 31 6.032 -1.645 -11.282 1.00 35.12 H new ATOM 498 N TYR A 32 1.622 -0.220 -11.318 1.00 63.23 N ATOM 499 CA TYR A 32 0.362 -0.762 -10.800 1.00 72.24 C ATOM 500 C TYR A 32 -0.210 -1.795 -11.778 1.00 10.21 C ATOM 501 O TYR A 32 -0.489 -2.936 -11.408 1.00 55.03 O ATOM 502 CB TYR A 32 -0.643 0.384 -10.577 1.00 54.12 C ATOM 503 CG TYR A 32 -2.065 -0.061 -10.263 1.00 64.24 C ATOM 504 CD1 TYR A 32 -2.446 -0.406 -8.970 1.00 1.24 C ATOM 505 CD2 TYR A 32 -3.032 -0.125 -11.267 1.00 3.21 C ATOM 506 CE1 TYR A 32 -3.739 -0.804 -8.687 1.00 4.13 C ATOM 507 CE2 TYR A 32 -4.326 -0.523 -10.989 1.00 44.42 C ATOM 508 CZ TYR A 32 -4.675 -0.860 -9.700 1.00 45.11 C ATOM 509 OH TYR A 32 -5.963 -1.259 -9.420 1.00 22.15 O ATOM 0 H TYR A 32 1.622 0.794 -11.430 1.00 63.23 H new ATOM 0 HA TYR A 32 0.549 -1.257 -9.847 1.00 72.24 H new ATOM 0 HB2 TYR A 32 -0.284 1.008 -9.758 1.00 54.12 H new ATOM 0 HB3 TYR A 32 -0.662 1.009 -11.470 1.00 54.12 H new ATOM 0 HD1 TYR A 32 -1.718 -0.362 -8.173 1.00 1.24 H new ATOM 0 HD2 TYR A 32 -2.765 0.141 -12.279 1.00 3.21 H new ATOM 0 HE1 TYR A 32 -4.016 -1.070 -7.678 1.00 4.13 H new ATOM 0 HE2 TYR A 32 -5.061 -0.570 -11.779 1.00 44.42 H new ATOM 0 HH TYR A 32 -6.496 -1.243 -10.242 1.00 22.15 H new ATOM 519 N ASN A 33 -0.370 -1.384 -13.035 1.00 21.54 N ATOM 520 CA ASN A 33 -0.830 -2.290 -14.094 1.00 23.20 C ATOM 521 C ASN A 33 0.158 -3.450 -14.305 1.00 35.44 C ATOM 522 O ASN A 33 -0.247 -4.582 -14.569 1.00 30.30 O ATOM 523 CB ASN A 33 -1.017 -1.518 -15.405 1.00 41.00 C ATOM 524 CG ASN A 33 -2.082 -0.443 -15.302 1.00 55.23 C ATOM 525 OD1 ASN A 33 -3.052 -0.575 -14.560 1.00 13.45 O ATOM 526 ND2 ASN A 33 -1.913 0.634 -16.042 1.00 10.21 N ATOM 0 H ASN A 33 -0.189 -0.430 -13.348 1.00 21.54 H new ATOM 0 HA ASN A 33 -1.786 -2.711 -13.783 1.00 23.20 H new ATOM 0 HB2 ASN A 33 -0.070 -1.060 -15.691 1.00 41.00 H new ATOM 0 HB3 ASN A 33 -1.286 -2.216 -16.198 1.00 41.00 H new ATOM 0 HD21 ASN A 33 -2.599 1.388 -16.009 1.00 10.21 H new ATOM 0 HD22 ASN A 33 -1.096 0.713 -16.648 1.00 10.21 H new ATOM 533 N ASP A 34 1.451 -3.156 -14.185 1.00 32.41 N ATOM 534 CA ASP A 34 2.503 -4.168 -14.325 1.00 62.30 C ATOM 535 C ASP A 34 2.328 -5.319 -13.311 1.00 20.05 C ATOM 536 O ASP A 34 2.381 -6.493 -13.680 1.00 72.22 O ATOM 537 CB ASP A 34 3.873 -3.496 -14.150 1.00 71.33 C ATOM 538 CG ASP A 34 5.037 -4.468 -14.242 1.00 21.21 C ATOM 539 OD1 ASP A 34 5.386 -5.083 -13.212 1.00 5.23 O ATOM 540 OD2 ASP A 34 5.610 -4.614 -15.339 1.00 1.33 O ATOM 0 H ASP A 34 1.800 -2.218 -13.989 1.00 32.41 H new ATOM 0 HA ASP A 34 2.433 -4.607 -15.320 1.00 62.30 H new ATOM 0 HB2 ASP A 34 3.992 -2.725 -14.912 1.00 71.33 H new ATOM 0 HB3 ASP A 34 3.903 -2.995 -13.182 1.00 71.33 H new ATOM 545 N GLY A 35 2.095 -4.985 -12.042 1.00 53.34 N ATOM 546 CA GLY A 35 1.853 -6.020 -11.038 1.00 52.13 C ATOM 547 C GLY A 35 1.530 -5.458 -9.661 1.00 34.31 C ATOM 548 O GLY A 35 2.418 -4.983 -8.961 1.00 50.34 O ATOM 0 H GLY A 35 2.069 -4.028 -11.690 1.00 53.34 H new ATOM 0 HA2 GLY A 35 1.028 -6.651 -11.368 1.00 52.13 H new ATOM 0 HA3 GLY A 35 2.733 -6.659 -10.965 1.00 52.13 H new ATOM 552 N HIS A 36 0.263 -5.544 -9.252 1.00 2.52 N ATOM 553 CA HIS A 36 -0.195 -4.945 -7.990 1.00 54.01 C ATOM 554 C HIS A 36 -0.867 -5.982 -7.079 1.00 52.34 C ATOM 555 O HIS A 36 -1.412 -6.970 -7.558 1.00 11.42 O ATOM 556 CB HIS A 36 -1.177 -3.798 -8.278 1.00 45.54 C ATOM 557 CG HIS A 36 -2.428 -4.218 -8.999 1.00 22.24 C ATOM 558 ND1 HIS A 36 -2.517 -4.317 -10.370 1.00 61.31 N ATOM 559 CD2 HIS A 36 -3.656 -4.549 -8.527 1.00 61.11 C ATOM 560 CE1 HIS A 36 -3.735 -4.685 -10.712 1.00 61.11 C ATOM 561 NE2 HIS A 36 -4.448 -4.834 -9.613 1.00 75.24 N ATOM 0 H HIS A 36 -0.469 -6.024 -9.776 1.00 2.52 H new ATOM 0 HA HIS A 36 0.682 -4.559 -7.471 1.00 54.01 H new ATOM 0 HB2 HIS A 36 -1.456 -3.329 -7.334 1.00 45.54 H new ATOM 0 HB3 HIS A 36 -0.667 -3.040 -8.872 1.00 45.54 H new ATOM 0 HD1 HIS A 36 -1.755 -4.133 -11.022 1.00 61.31 H new ATOM 0 HD2 HIS A 36 -3.956 -4.582 -7.490 1.00 61.11 H new ATOM 0 HE1 HIS A 36 -4.089 -4.838 -11.721 1.00 61.11 H new ATOM 570 N ILE A 37 -0.838 -5.743 -5.769 1.00 54.03 N ATOM 571 CA ILE A 37 -1.502 -6.632 -4.804 1.00 10.50 C ATOM 572 C ILE A 37 -3.004 -6.776 -5.120 1.00 35.55 C ATOM 573 O ILE A 37 -3.661 -5.814 -5.536 1.00 63.12 O ATOM 574 CB ILE A 37 -1.317 -6.114 -3.349 1.00 21.55 C ATOM 575 CG1 ILE A 37 0.162 -6.208 -2.931 1.00 10.45 C ATOM 576 CG2 ILE A 37 -2.207 -6.883 -2.368 1.00 42.30 C ATOM 577 CD1 ILE A 37 0.442 -5.679 -1.538 1.00 12.40 C ATOM 0 H ILE A 37 -0.364 -4.944 -5.347 1.00 54.03 H new ATOM 0 HA ILE A 37 -1.033 -7.612 -4.890 1.00 10.50 H new ATOM 0 HB ILE A 37 -1.621 -5.068 -3.322 1.00 21.55 H new ATOM 0 HG12 ILE A 37 0.479 -7.250 -2.984 1.00 10.45 H new ATOM 0 HG13 ILE A 37 0.768 -5.654 -3.648 1.00 10.45 H new ATOM 0 HG21 ILE A 37 -2.055 -6.498 -1.360 1.00 42.30 H new ATOM 0 HG22 ILE A 37 -3.252 -6.758 -2.650 1.00 42.30 H new ATOM 0 HG23 ILE A 37 -1.948 -7.941 -2.395 1.00 42.30 H new ATOM 0 HD11 ILE A 37 1.505 -5.780 -1.317 1.00 12.40 H new ATOM 0 HD12 ILE A 37 0.158 -4.628 -1.484 1.00 12.40 H new ATOM 0 HD13 ILE A 37 -0.135 -6.248 -0.810 1.00 12.40 H new ATOM 589 N MET A 38 -3.541 -7.984 -4.929 1.00 42.02 N ATOM 590 CA MET A 38 -4.953 -8.260 -5.223 1.00 3.42 C ATOM 591 C MET A 38 -5.890 -7.411 -4.347 1.00 34.13 C ATOM 592 O MET A 38 -6.061 -7.679 -3.156 1.00 24.24 O ATOM 593 CB MET A 38 -5.251 -9.756 -5.035 1.00 13.05 C ATOM 594 CG MET A 38 -6.706 -10.139 -5.286 1.00 44.33 C ATOM 595 SD MET A 38 -6.983 -11.923 -5.228 1.00 70.41 S ATOM 596 CE MET A 38 -5.931 -12.478 -6.571 1.00 74.05 C ATOM 0 H MET A 38 -3.022 -8.786 -4.573 1.00 42.02 H new ATOM 0 HA MET A 38 -5.138 -7.988 -6.262 1.00 3.42 H new ATOM 0 HB2 MET A 38 -4.614 -10.329 -5.709 1.00 13.05 H new ATOM 0 HB3 MET A 38 -4.981 -10.044 -4.019 1.00 13.05 H new ATOM 0 HG2 MET A 38 -7.338 -9.654 -4.542 1.00 44.33 H new ATOM 0 HG3 MET A 38 -7.013 -9.760 -6.261 1.00 44.33 H new ATOM 0 HE1 MET A 38 -6.291 -13.438 -6.942 1.00 74.05 H new ATOM 0 HE2 MET A 38 -5.954 -11.745 -7.378 1.00 74.05 H new ATOM 0 HE3 MET A 38 -4.908 -12.589 -6.210 1.00 74.05 H new ATOM 606 N GLY A 39 -6.488 -6.384 -4.952 1.00 70.44 N ATOM 607 CA GLY A 39 -7.376 -5.482 -4.223 1.00 72.51 C ATOM 608 C GLY A 39 -6.711 -4.165 -3.827 1.00 71.33 C ATOM 609 O GLY A 39 -7.156 -3.496 -2.892 1.00 41.54 O ATOM 0 H GLY A 39 -6.374 -6.158 -5.940 1.00 70.44 H new ATOM 0 HA2 GLY A 39 -8.250 -5.269 -4.838 1.00 72.51 H new ATOM 0 HA3 GLY A 39 -7.734 -5.984 -3.324 1.00 72.51 H new ATOM 613 N ALA A 40 -5.645 -3.787 -4.534 1.00 65.04 N ATOM 614 CA ALA A 40 -4.944 -2.525 -4.260 1.00 10.14 C ATOM 615 C ALA A 40 -5.565 -1.342 -5.021 1.00 30.52 C ATOM 616 O ALA A 40 -6.385 -1.519 -5.923 1.00 22.12 O ATOM 617 CB ALA A 40 -3.466 -2.648 -4.608 1.00 21.01 C ATOM 0 H ALA A 40 -5.247 -4.332 -5.299 1.00 65.04 H new ATOM 0 HA ALA A 40 -5.049 -2.325 -3.194 1.00 10.14 H new ATOM 0 HB1 ALA A 40 -2.963 -1.704 -4.399 1.00 21.01 H new ATOM 0 HB2 ALA A 40 -3.016 -3.440 -4.009 1.00 21.01 H new ATOM 0 HB3 ALA A 40 -3.360 -2.889 -5.666 1.00 21.01 H new ATOM 623 N MET A 41 -5.160 -0.131 -4.651 1.00 74.13 N ATOM 624 CA MET A 41 -5.676 1.092 -5.277 1.00 53.20 C ATOM 625 C MET A 41 -4.616 1.786 -6.140 1.00 33.22 C ATOM 626 O MET A 41 -3.426 1.778 -5.814 1.00 23.43 O ATOM 627 CB MET A 41 -6.161 2.053 -4.194 1.00 12.31 C ATOM 628 CG MET A 41 -7.254 1.467 -3.320 1.00 4.50 C ATOM 629 SD MET A 41 -8.826 1.300 -4.189 1.00 62.41 S ATOM 630 CE MET A 41 -9.205 3.015 -4.553 1.00 25.23 C ATOM 0 H MET A 41 -4.472 0.035 -3.917 1.00 74.13 H new ATOM 0 HA MET A 41 -6.502 0.809 -5.929 1.00 53.20 H new ATOM 0 HB2 MET A 41 -5.317 2.338 -3.566 1.00 12.31 H new ATOM 0 HB3 MET A 41 -6.531 2.964 -4.665 1.00 12.31 H new ATOM 0 HG2 MET A 41 -6.938 0.489 -2.958 1.00 4.50 H new ATOM 0 HG3 MET A 41 -7.393 2.102 -2.445 1.00 4.50 H new ATOM 0 HE1 MET A 41 -10.279 3.126 -4.704 1.00 25.23 H new ATOM 0 HE2 MET A 41 -8.889 3.642 -3.719 1.00 25.23 H new ATOM 0 HE3 MET A 41 -8.678 3.320 -5.457 1.00 25.23 H new ATOM 640 N ALA A 42 -5.064 2.409 -7.225 1.00 31.32 N ATOM 641 CA ALA A 42 -4.162 3.114 -8.140 1.00 62.13 C ATOM 642 C ALA A 42 -3.825 4.516 -7.613 1.00 53.22 C ATOM 643 O ALA A 42 -4.318 5.527 -8.125 1.00 52.31 O ATOM 644 CB ALA A 42 -4.773 3.195 -9.537 1.00 52.11 C ATOM 0 H ALA A 42 -6.047 2.442 -7.496 1.00 31.32 H new ATOM 0 HA ALA A 42 -3.233 2.548 -8.202 1.00 62.13 H new ATOM 0 HB1 ALA A 42 -4.090 3.722 -10.203 1.00 52.11 H new ATOM 0 HB2 ALA A 42 -4.946 2.188 -9.917 1.00 52.11 H new ATOM 0 HB3 ALA A 42 -5.720 3.733 -9.489 1.00 52.11 H new ATOM 650 N MET A 43 -3.002 4.565 -6.574 1.00 73.13 N ATOM 651 CA MET A 43 -2.588 5.830 -5.960 1.00 61.25 C ATOM 652 C MET A 43 -1.061 5.969 -5.959 1.00 63.23 C ATOM 653 O MET A 43 -0.386 5.603 -4.999 1.00 51.42 O ATOM 654 CB MET A 43 -3.162 5.939 -4.540 1.00 35.43 C ATOM 655 CG MET A 43 -4.588 6.469 -4.518 1.00 30.12 C ATOM 656 SD MET A 43 -5.504 6.020 -3.037 1.00 44.13 S ATOM 657 CE MET A 43 -7.094 6.735 -3.429 1.00 72.22 C ATOM 0 H MET A 43 -2.602 3.737 -6.132 1.00 73.13 H new ATOM 0 HA MET A 43 -2.986 6.653 -6.554 1.00 61.25 H new ATOM 0 HB2 MET A 43 -3.137 4.957 -4.067 1.00 35.43 H new ATOM 0 HB3 MET A 43 -2.526 6.595 -3.946 1.00 35.43 H new ATOM 0 HG2 MET A 43 -4.564 7.555 -4.604 1.00 30.12 H new ATOM 0 HG3 MET A 43 -5.120 6.092 -5.392 1.00 30.12 H new ATOM 0 HE1 MET A 43 -7.603 7.017 -2.507 1.00 72.22 H new ATOM 0 HE2 MET A 43 -6.952 7.619 -4.050 1.00 72.22 H new ATOM 0 HE3 MET A 43 -7.698 6.006 -3.969 1.00 72.22 H new ATOM 667 N PRO A 44 -0.508 6.533 -7.049 1.00 70.12 N ATOM 668 CA PRO A 44 0.943 6.614 -7.260 1.00 45.13 C ATOM 669 C PRO A 44 1.582 7.741 -6.430 1.00 50.11 C ATOM 670 O PRO A 44 1.019 8.828 -6.318 1.00 21.13 O ATOM 671 CB PRO A 44 1.046 6.887 -8.770 1.00 72.13 C ATOM 672 CG PRO A 44 -0.200 7.639 -9.110 1.00 22.25 C ATOM 673 CD PRO A 44 -1.266 7.178 -8.140 1.00 2.04 C ATOM 0 HA PRO A 44 1.475 5.716 -6.946 1.00 45.13 H new ATOM 0 HB2 PRO A 44 1.936 7.470 -9.006 1.00 72.13 H new ATOM 0 HB3 PRO A 44 1.114 5.958 -9.336 1.00 72.13 H new ATOM 0 HG2 PRO A 44 -0.038 8.714 -9.025 1.00 22.25 H new ATOM 0 HG3 PRO A 44 -0.502 7.442 -10.139 1.00 22.25 H new ATOM 0 HD2 PRO A 44 -1.859 8.015 -7.772 1.00 2.04 H new ATOM 0 HD3 PRO A 44 -1.958 6.480 -8.611 1.00 2.04 H new ATOM 681 N ILE A 45 2.767 7.482 -5.869 1.00 2.55 N ATOM 682 CA ILE A 45 3.409 8.395 -4.903 1.00 14.30 C ATOM 683 C ILE A 45 3.448 9.865 -5.391 1.00 41.13 C ATOM 684 O ILE A 45 3.489 10.798 -4.583 1.00 12.33 O ATOM 685 CB ILE A 45 4.840 7.897 -4.563 1.00 72.12 C ATOM 686 CG1 ILE A 45 5.364 8.556 -3.274 1.00 52.40 C ATOM 687 CG2 ILE A 45 5.799 8.144 -5.732 1.00 2.14 C ATOM 688 CD1 ILE A 45 6.652 7.944 -2.760 1.00 61.12 C ATOM 0 H ILE A 45 3.310 6.641 -6.066 1.00 2.55 H new ATOM 0 HA ILE A 45 2.795 8.384 -4.003 1.00 14.30 H new ATOM 0 HB ILE A 45 4.787 6.822 -4.392 1.00 72.12 H new ATOM 0 HG12 ILE A 45 5.524 9.618 -3.458 1.00 52.40 H new ATOM 0 HG13 ILE A 45 4.600 8.479 -2.500 1.00 52.40 H new ATOM 0 HG21 ILE A 45 6.794 7.786 -5.468 1.00 2.14 H new ATOM 0 HG22 ILE A 45 5.443 7.610 -6.613 1.00 2.14 H new ATOM 0 HG23 ILE A 45 5.843 9.212 -5.948 1.00 2.14 H new ATOM 0 HD11 ILE A 45 6.961 8.458 -1.850 1.00 61.12 H new ATOM 0 HD12 ILE A 45 6.492 6.888 -2.543 1.00 61.12 H new ATOM 0 HD13 ILE A 45 7.430 8.045 -3.516 1.00 61.12 H new ATOM 700 N GLU A 46 3.418 10.061 -6.708 1.00 61.40 N ATOM 701 CA GLU A 46 3.355 11.405 -7.298 1.00 52.44 C ATOM 702 C GLU A 46 2.005 12.089 -7.010 1.00 52.32 C ATOM 703 O GLU A 46 1.952 13.232 -6.551 1.00 24.55 O ATOM 704 CB GLU A 46 3.549 11.311 -8.817 1.00 74.54 C ATOM 705 CG GLU A 46 4.845 10.632 -9.242 1.00 11.51 C ATOM 706 CD GLU A 46 6.084 11.402 -8.811 1.00 24.41 C ATOM 707 OE1 GLU A 46 6.363 12.466 -9.400 1.00 12.53 O ATOM 708 OE2 GLU A 46 6.779 10.953 -7.877 1.00 14.15 O ATOM 0 H GLU A 46 3.436 9.305 -7.393 1.00 61.40 H new ATOM 0 HA GLU A 46 4.148 12.002 -6.848 1.00 52.44 H new ATOM 0 HB2 GLU A 46 2.709 10.765 -9.246 1.00 74.54 H new ATOM 0 HB3 GLU A 46 3.524 12.316 -9.238 1.00 74.54 H new ATOM 0 HG2 GLU A 46 4.880 9.629 -8.817 1.00 11.51 H new ATOM 0 HG3 GLU A 46 4.852 10.519 -10.326 1.00 11.51 H new ATOM 715 N ASP A 47 0.917 11.374 -7.287 1.00 64.44 N ATOM 716 CA ASP A 47 -0.444 11.908 -7.138 1.00 44.44 C ATOM 717 C ASP A 47 -1.121 11.401 -5.850 1.00 32.33 C ATOM 718 O ASP A 47 -2.282 11.712 -5.586 1.00 72.53 O ATOM 719 CB ASP A 47 -1.288 11.501 -8.354 1.00 13.25 C ATOM 720 CG ASP A 47 -0.705 11.997 -9.668 1.00 22.24 C ATOM 721 OD1 ASP A 47 0.292 11.411 -10.140 1.00 2.21 O ATOM 722 OD2 ASP A 47 -1.256 12.963 -10.242 1.00 3.45 O ATOM 0 H ASP A 47 0.948 10.411 -7.620 1.00 64.44 H new ATOM 0 HA ASP A 47 -0.373 12.994 -7.073 1.00 44.44 H new ATOM 0 HB2 ASP A 47 -1.371 10.415 -8.386 1.00 13.25 H new ATOM 0 HB3 ASP A 47 -2.298 11.895 -8.238 1.00 13.25 H new ATOM 727 N LEU A 48 -0.375 10.635 -5.056 1.00 11.14 N ATOM 728 CA LEU A 48 -0.903 9.937 -3.872 1.00 32.42 C ATOM 729 C LEU A 48 -1.807 10.815 -2.984 1.00 53.23 C ATOM 730 O LEU A 48 -2.980 10.504 -2.797 1.00 52.11 O ATOM 731 CB LEU A 48 0.263 9.394 -3.036 1.00 21.34 C ATOM 732 CG LEU A 48 -0.134 8.667 -1.742 1.00 31.53 C ATOM 733 CD1 LEU A 48 -0.907 7.389 -2.052 1.00 12.01 C ATOM 734 CD2 LEU A 48 1.096 8.367 -0.895 1.00 2.51 C ATOM 0 H LEU A 48 0.620 10.476 -5.212 1.00 11.14 H new ATOM 0 HA LEU A 48 -1.529 9.126 -4.245 1.00 32.42 H new ATOM 0 HB2 LEU A 48 0.842 8.708 -3.654 1.00 21.34 H new ATOM 0 HB3 LEU A 48 0.921 10.224 -2.779 1.00 21.34 H new ATOM 0 HG LEU A 48 -0.788 9.324 -1.169 1.00 31.53 H new ATOM 0 HD11 LEU A 48 -1.177 6.892 -1.120 1.00 12.01 H new ATOM 0 HD12 LEU A 48 -1.812 7.637 -2.607 1.00 12.01 H new ATOM 0 HD13 LEU A 48 -0.285 6.724 -2.651 1.00 12.01 H new ATOM 0 HD21 LEU A 48 0.793 7.852 0.017 1.00 2.51 H new ATOM 0 HD22 LEU A 48 1.781 7.734 -1.459 1.00 2.51 H new ATOM 0 HD23 LEU A 48 1.596 9.300 -0.636 1.00 2.51 H new ATOM 746 N VAL A 49 -1.257 11.899 -2.434 1.00 44.24 N ATOM 747 CA VAL A 49 -1.994 12.745 -1.478 1.00 53.43 C ATOM 748 C VAL A 49 -3.340 13.226 -2.052 1.00 62.03 C ATOM 749 O VAL A 49 -4.397 13.037 -1.444 1.00 41.40 O ATOM 750 CB VAL A 49 -1.146 13.974 -1.055 1.00 5.23 C ATOM 751 CG1 VAL A 49 -1.912 14.853 -0.068 1.00 40.13 C ATOM 752 CG2 VAL A 49 0.190 13.531 -0.461 1.00 11.52 C ATOM 0 H VAL A 49 -0.307 12.216 -2.630 1.00 44.24 H new ATOM 0 HA VAL A 49 -2.195 12.126 -0.604 1.00 53.43 H new ATOM 0 HB VAL A 49 -0.943 14.567 -1.947 1.00 5.23 H new ATOM 0 HG11 VAL A 49 -1.296 15.707 0.213 1.00 40.13 H new ATOM 0 HG12 VAL A 49 -2.832 15.207 -0.534 1.00 40.13 H new ATOM 0 HG13 VAL A 49 -2.156 14.273 0.822 1.00 40.13 H new ATOM 0 HG21 VAL A 49 0.768 14.408 -0.171 1.00 11.52 H new ATOM 0 HG22 VAL A 49 0.010 12.909 0.416 1.00 11.52 H new ATOM 0 HG23 VAL A 49 0.746 12.959 -1.203 1.00 11.52 H new ATOM 762 N ASP A 50 -3.283 13.833 -3.232 1.00 34.40 N ATOM 763 CA ASP A 50 -4.478 14.321 -3.933 1.00 13.14 C ATOM 764 C ASP A 50 -5.478 13.186 -4.219 1.00 71.23 C ATOM 765 O ASP A 50 -6.697 13.372 -4.128 1.00 1.31 O ATOM 766 CB ASP A 50 -4.055 14.984 -5.247 1.00 34.42 C ATOM 767 CG ASP A 50 -3.000 16.055 -5.032 1.00 70.33 C ATOM 768 OD1 ASP A 50 -1.798 15.712 -4.970 1.00 51.20 O ATOM 769 OD2 ASP A 50 -3.366 17.243 -4.908 1.00 21.53 O ATOM 0 H ASP A 50 -2.411 14.003 -3.734 1.00 34.40 H new ATOM 0 HA ASP A 50 -4.978 15.044 -3.289 1.00 13.14 H new ATOM 0 HB2 ASP A 50 -3.668 14.225 -5.927 1.00 34.42 H new ATOM 0 HB3 ASP A 50 -4.928 15.427 -5.727 1.00 34.42 H new ATOM 774 N ARG A 51 -4.951 12.018 -4.576 1.00 24.43 N ATOM 775 CA ARG A 51 -5.772 10.830 -4.844 1.00 45.32 C ATOM 776 C ARG A 51 -6.467 10.316 -3.571 1.00 61.53 C ATOM 777 O ARG A 51 -7.684 10.102 -3.549 1.00 12.34 O ATOM 778 CB ARG A 51 -4.888 9.718 -5.429 1.00 43.33 C ATOM 779 CG ARG A 51 -4.432 9.967 -6.860 1.00 52.53 C ATOM 780 CD ARG A 51 -5.558 9.733 -7.854 1.00 41.40 C ATOM 781 NE ARG A 51 -5.260 10.297 -9.167 1.00 71.21 N ATOM 782 CZ ARG A 51 -6.118 10.370 -10.148 1.00 24.34 C ATOM 783 NH1 ARG A 51 -7.327 9.926 -10.006 1.00 5.10 N ATOM 784 NH2 ARG A 51 -5.761 10.884 -11.277 1.00 15.42 N ATOM 0 H ARG A 51 -3.949 11.864 -4.689 1.00 24.43 H new ATOM 0 HA ARG A 51 -6.546 11.112 -5.557 1.00 45.32 H new ATOM 0 HB2 ARG A 51 -4.009 9.598 -4.796 1.00 43.33 H new ATOM 0 HB3 ARG A 51 -5.437 8.777 -5.394 1.00 43.33 H new ATOM 0 HG2 ARG A 51 -4.069 10.991 -6.954 1.00 52.53 H new ATOM 0 HG3 ARG A 51 -3.595 9.309 -7.096 1.00 52.53 H new ATOM 0 HD2 ARG A 51 -5.737 8.662 -7.952 1.00 41.40 H new ATOM 0 HD3 ARG A 51 -6.477 10.176 -7.470 1.00 41.40 H new ATOM 0 HE ARG A 51 -4.320 10.658 -9.328 1.00 71.21 H new ATOM 0 HH11 ARG A 51 -7.618 9.513 -9.120 1.00 5.10 H new ATOM 0 HH12 ARG A 51 -7.988 9.989 -10.781 1.00 5.10 H new ATOM 0 HH21 ARG A 51 -4.810 11.232 -11.401 1.00 15.42 H new ATOM 0 HH22 ARG A 51 -6.430 10.942 -12.045 1.00 15.42 H new ATOM 798 N ALA A 52 -5.682 10.116 -2.518 1.00 41.40 N ATOM 799 CA ALA A 52 -6.180 9.559 -1.262 1.00 54.42 C ATOM 800 C ALA A 52 -7.323 10.395 -0.673 1.00 22.44 C ATOM 801 O ALA A 52 -8.365 9.857 -0.310 1.00 11.44 O ATOM 802 CB ALA A 52 -5.043 9.429 -0.259 1.00 65.42 C ATOM 0 H ALA A 52 -4.686 10.334 -2.509 1.00 41.40 H new ATOM 0 HA ALA A 52 -6.583 8.570 -1.478 1.00 54.42 H new ATOM 0 HB1 ALA A 52 -5.426 9.013 0.673 1.00 65.42 H new ATOM 0 HB2 ALA A 52 -4.275 8.769 -0.663 1.00 65.42 H new ATOM 0 HB3 ALA A 52 -4.612 10.412 -0.068 1.00 65.42 H new ATOM 808 N SER A 53 -7.132 11.713 -0.597 1.00 32.23 N ATOM 809 CA SER A 53 -8.168 12.614 -0.061 1.00 40.03 C ATOM 810 C SER A 53 -9.475 12.520 -0.861 1.00 21.22 C ATOM 811 O SER A 53 -10.554 12.805 -0.343 1.00 30.12 O ATOM 812 CB SER A 53 -7.679 14.069 -0.061 1.00 33.52 C ATOM 813 OG SER A 53 -7.431 14.535 -1.382 1.00 24.41 O ATOM 0 H SER A 53 -6.278 12.183 -0.896 1.00 32.23 H new ATOM 0 HA SER A 53 -8.365 12.295 0.963 1.00 40.03 H new ATOM 0 HB2 SER A 53 -8.425 14.705 0.416 1.00 33.52 H new ATOM 0 HB3 SER A 53 -6.767 14.148 0.531 1.00 33.52 H new ATOM 0 HG SER A 53 -7.206 13.776 -1.960 1.00 24.41 H new ATOM 819 N SER A 54 -9.372 12.109 -2.122 1.00 21.40 N ATOM 820 CA SER A 54 -10.542 12.010 -3.006 1.00 63.00 C ATOM 821 C SER A 54 -11.417 10.784 -2.689 1.00 24.02 C ATOM 822 O SER A 54 -12.639 10.833 -2.830 1.00 13.12 O ATOM 823 CB SER A 54 -10.095 11.953 -4.474 1.00 1.40 C ATOM 824 OG SER A 54 -11.206 12.015 -5.360 1.00 54.03 O ATOM 0 H SER A 54 -8.492 11.838 -2.560 1.00 21.40 H new ATOM 0 HA SER A 54 -11.145 12.901 -2.833 1.00 63.00 H new ATOM 0 HB2 SER A 54 -9.416 12.780 -4.681 1.00 1.40 H new ATOM 0 HB3 SER A 54 -9.538 11.033 -4.650 1.00 1.40 H new ATOM 0 HG SER A 54 -10.888 11.978 -6.286 1.00 54.03 H new ATOM 830 N SER A 55 -10.793 9.683 -2.264 1.00 12.51 N ATOM 831 CA SER A 55 -11.519 8.409 -2.061 1.00 11.11 C ATOM 832 C SER A 55 -11.468 7.913 -0.609 1.00 55.23 C ATOM 833 O SER A 55 -12.477 7.468 -0.058 1.00 41.43 O ATOM 834 CB SER A 55 -10.941 7.313 -2.972 1.00 43.33 C ATOM 835 OG SER A 55 -11.063 7.649 -4.347 1.00 33.32 O ATOM 0 H SER A 55 -9.796 9.639 -2.053 1.00 12.51 H new ATOM 0 HA SER A 55 -12.560 8.612 -2.311 1.00 11.11 H new ATOM 0 HB2 SER A 55 -9.890 7.155 -2.729 1.00 43.33 H new ATOM 0 HB3 SER A 55 -11.457 6.372 -2.781 1.00 43.33 H new ATOM 0 HG SER A 55 -10.684 6.930 -4.894 1.00 33.32 H new ATOM 841 N LEU A 56 -10.294 7.985 0.000 1.00 61.11 N ATOM 842 CA LEU A 56 -10.050 7.384 1.318 1.00 44.13 C ATOM 843 C LEU A 56 -10.468 8.291 2.477 1.00 21.14 C ATOM 844 O LEU A 56 -10.464 9.520 2.360 1.00 74.34 O ATOM 845 CB LEU A 56 -8.559 7.063 1.459 1.00 52.32 C ATOM 846 CG LEU A 56 -8.010 6.057 0.445 1.00 0.24 C ATOM 847 CD1 LEU A 56 -6.500 5.921 0.591 1.00 1.20 C ATOM 848 CD2 LEU A 56 -8.696 4.707 0.616 1.00 33.55 C ATOM 0 H LEU A 56 -9.482 8.458 -0.397 1.00 61.11 H new ATOM 0 HA LEU A 56 -10.658 6.481 1.372 1.00 44.13 H new ATOM 0 HB2 LEU A 56 -7.994 7.991 1.369 1.00 52.32 H new ATOM 0 HB3 LEU A 56 -8.380 6.677 2.463 1.00 52.32 H new ATOM 0 HG LEU A 56 -8.221 6.424 -0.560 1.00 0.24 H new ATOM 0 HD11 LEU A 56 -6.127 5.202 -0.138 1.00 1.20 H new ATOM 0 HD12 LEU A 56 -6.029 6.889 0.419 1.00 1.20 H new ATOM 0 HD13 LEU A 56 -6.261 5.575 1.597 1.00 1.20 H new ATOM 0 HD21 LEU A 56 -8.296 4.001 -0.112 1.00 33.55 H new ATOM 0 HD22 LEU A 56 -8.515 4.332 1.623 1.00 33.55 H new ATOM 0 HD23 LEU A 56 -9.769 4.821 0.459 1.00 33.55 H new ATOM 860 N GLU A 57 -10.839 7.669 3.593 1.00 43.23 N ATOM 861 CA GLU A 57 -11.003 8.389 4.851 1.00 20.31 C ATOM 862 C GLU A 57 -9.657 8.646 5.511 1.00 21.03 C ATOM 863 O GLU A 57 -8.622 8.150 5.072 1.00 2.41 O ATOM 864 CB GLU A 57 -11.864 7.608 5.845 1.00 73.04 C ATOM 865 CG GLU A 57 -13.310 7.450 5.426 1.00 64.24 C ATOM 866 CD GLU A 57 -13.615 6.064 4.875 1.00 51.34 C ATOM 867 OE1 GLU A 57 -13.015 5.676 3.853 1.00 2.33 O ATOM 868 OE2 GLU A 57 -14.428 5.341 5.484 1.00 53.21 O ATOM 0 H GLU A 57 -11.031 6.669 3.651 1.00 43.23 H new ATOM 0 HA GLU A 57 -11.493 9.330 4.601 1.00 20.31 H new ATOM 0 HB2 GLU A 57 -11.429 6.619 5.986 1.00 73.04 H new ATOM 0 HB3 GLU A 57 -11.831 8.112 6.811 1.00 73.04 H new ATOM 0 HG2 GLU A 57 -13.955 7.646 6.282 1.00 64.24 H new ATOM 0 HG3 GLU A 57 -13.548 8.198 4.669 1.00 64.24 H new ATOM 875 N LYS A 58 -9.695 9.386 6.602 1.00 14.21 N ATOM 876 CA LYS A 58 -8.480 9.677 7.375 1.00 35.21 C ATOM 877 C LYS A 58 -8.389 8.763 8.608 1.00 2.02 C ATOM 878 O LYS A 58 -7.307 8.526 9.150 1.00 73.41 O ATOM 879 CB LYS A 58 -8.434 11.160 7.766 1.00 64.31 C ATOM 880 CG LYS A 58 -8.443 12.090 6.552 1.00 3.32 C ATOM 881 CD LYS A 58 -8.037 13.518 6.908 1.00 30.32 C ATOM 882 CE LYS A 58 -8.012 14.418 5.674 1.00 65.51 C ATOM 883 NZ LYS A 58 -7.472 15.774 5.971 1.00 43.12 N ATOM 0 H LYS A 58 -10.546 9.801 6.981 1.00 14.21 H new ATOM 0 HA LYS A 58 -7.611 9.472 6.750 1.00 35.21 H new ATOM 0 HB2 LYS A 58 -9.289 11.391 8.402 1.00 64.31 H new ATOM 0 HB3 LYS A 58 -7.537 11.348 8.356 1.00 64.31 H new ATOM 0 HG2 LYS A 58 -7.763 11.700 5.794 1.00 3.32 H new ATOM 0 HG3 LYS A 58 -9.440 12.098 6.112 1.00 3.32 H new ATOM 0 HD2 LYS A 58 -8.734 13.923 7.641 1.00 30.32 H new ATOM 0 HD3 LYS A 58 -7.052 13.512 7.375 1.00 30.32 H new ATOM 0 HE2 LYS A 58 -7.405 13.950 4.899 1.00 65.51 H new ATOM 0 HE3 LYS A 58 -9.022 14.511 5.275 1.00 65.51 H new ATOM 0 HZ1 LYS A 58 -7.923 16.472 5.345 1.00 43.12 H new ATOM 0 HZ2 LYS A 58 -7.671 16.018 6.962 1.00 43.12 H new ATOM 0 HZ3 LYS A 58 -6.444 15.781 5.813 1.00 43.12 H new ATOM 897 N SER A 59 -9.540 8.241 9.031 1.00 74.32 N ATOM 898 CA SER A 59 -9.606 7.244 10.110 1.00 53.24 C ATOM 899 C SER A 59 -9.499 5.815 9.547 1.00 11.14 C ATOM 900 O SER A 59 -9.447 4.840 10.298 1.00 11.51 O ATOM 901 CB SER A 59 -10.920 7.390 10.893 1.00 11.23 C ATOM 902 OG SER A 59 -10.982 6.479 11.985 1.00 60.11 O ATOM 0 H SER A 59 -10.449 8.492 8.642 1.00 74.32 H new ATOM 0 HA SER A 59 -8.764 7.420 10.780 1.00 53.24 H new ATOM 0 HB2 SER A 59 -11.012 8.411 11.264 1.00 11.23 H new ATOM 0 HB3 SER A 59 -11.764 7.217 10.225 1.00 11.23 H new ATOM 0 HG SER A 59 -10.535 5.642 11.739 1.00 60.11 H new ATOM 908 N ARG A 60 -9.471 5.716 8.220 1.00 51.33 N ATOM 909 CA ARG A 60 -9.372 4.430 7.509 1.00 75.54 C ATOM 910 C ARG A 60 -7.977 3.800 7.685 1.00 1.14 C ATOM 911 O ARG A 60 -6.969 4.477 7.506 1.00 51.25 O ATOM 912 CB ARG A 60 -9.647 4.674 6.010 1.00 42.33 C ATOM 913 CG ARG A 60 -9.514 3.441 5.117 1.00 54.34 C ATOM 914 CD ARG A 60 -10.627 2.427 5.357 1.00 34.43 C ATOM 915 NE ARG A 60 -11.950 2.963 5.017 1.00 1.23 N ATOM 916 CZ ARG A 60 -12.999 2.228 4.763 1.00 75.11 C ATOM 917 NH1 ARG A 60 -12.914 0.932 4.745 1.00 4.54 N ATOM 918 NH2 ARG A 60 -14.136 2.793 4.517 1.00 33.03 N ATOM 0 H ARG A 60 -9.516 6.524 7.600 1.00 51.33 H new ATOM 0 HA ARG A 60 -10.105 3.739 7.925 1.00 75.54 H new ATOM 0 HB2 ARG A 60 -10.655 5.075 5.902 1.00 42.33 H new ATOM 0 HB3 ARG A 60 -8.960 5.440 5.650 1.00 42.33 H new ATOM 0 HG2 ARG A 60 -9.527 3.750 4.072 1.00 54.34 H new ATOM 0 HG3 ARG A 60 -8.549 2.967 5.298 1.00 54.34 H new ATOM 0 HD2 ARG A 60 -10.436 1.533 4.763 1.00 34.43 H new ATOM 0 HD3 ARG A 60 -10.619 2.122 6.403 1.00 34.43 H new ATOM 0 HE ARG A 60 -12.057 3.977 4.976 1.00 1.23 H new ATOM 0 HH11 ARG A 60 -12.020 0.477 4.931 1.00 4.54 H new ATOM 0 HH12 ARG A 60 -13.741 0.369 4.545 1.00 4.54 H new ATOM 0 HH21 ARG A 60 -14.212 3.810 4.522 1.00 33.03 H new ATOM 0 HH22 ARG A 60 -14.957 2.221 4.318 1.00 33.03 H new ATOM 932 N ASP A 61 -7.920 2.512 8.045 1.00 62.25 N ATOM 933 CA ASP A 61 -6.637 1.791 8.097 1.00 5.00 C ATOM 934 C ASP A 61 -6.032 1.657 6.688 1.00 11.33 C ATOM 935 O ASP A 61 -6.391 0.764 5.921 1.00 3.32 O ATOM 936 CB ASP A 61 -6.799 0.399 8.731 1.00 61.24 C ATOM 937 CG ASP A 61 -7.029 0.434 10.234 1.00 23.55 C ATOM 938 OD1 ASP A 61 -6.673 1.440 10.886 1.00 21.21 O ATOM 939 OD2 ASP A 61 -7.551 -0.561 10.778 1.00 11.24 O ATOM 0 H ASP A 61 -8.733 1.952 8.302 1.00 62.25 H new ATOM 0 HA ASP A 61 -5.960 2.374 8.722 1.00 5.00 H new ATOM 0 HB2 ASP A 61 -7.637 -0.111 8.256 1.00 61.24 H new ATOM 0 HB3 ASP A 61 -5.907 -0.191 8.523 1.00 61.24 H new ATOM 944 N ILE A 62 -5.126 2.561 6.351 1.00 62.12 N ATOM 945 CA ILE A 62 -4.524 2.595 5.020 1.00 32.31 C ATOM 946 C ILE A 62 -3.119 1.970 5.009 1.00 75.31 C ATOM 947 O ILE A 62 -2.196 2.476 5.644 1.00 21.35 O ATOM 948 CB ILE A 62 -4.454 4.054 4.508 1.00 74.24 C ATOM 949 CG1 ILE A 62 -5.871 4.654 4.462 1.00 31.23 C ATOM 950 CG2 ILE A 62 -3.792 4.111 3.135 1.00 50.31 C ATOM 951 CD1 ILE A 62 -5.910 6.139 4.173 1.00 34.35 C ATOM 0 H ILE A 62 -4.787 3.287 6.983 1.00 62.12 H new ATOM 0 HA ILE A 62 -5.156 2.003 4.358 1.00 32.31 H new ATOM 0 HB ILE A 62 -3.846 4.644 5.194 1.00 74.24 H new ATOM 0 HG12 ILE A 62 -6.449 4.132 3.699 1.00 31.23 H new ATOM 0 HG13 ILE A 62 -6.362 4.469 5.417 1.00 31.23 H new ATOM 0 HG21 ILE A 62 -3.752 5.145 2.793 1.00 50.31 H new ATOM 0 HG22 ILE A 62 -2.780 3.712 3.202 1.00 50.31 H new ATOM 0 HG23 ILE A 62 -4.370 3.517 2.427 1.00 50.31 H new ATOM 0 HD11 ILE A 62 -6.945 6.480 4.158 1.00 34.35 H new ATOM 0 HD12 ILE A 62 -5.362 6.675 4.948 1.00 34.35 H new ATOM 0 HD13 ILE A 62 -5.450 6.333 3.204 1.00 34.35 H new ATOM 963 N TYR A 63 -2.976 0.857 4.290 1.00 70.24 N ATOM 964 CA TYR A 63 -1.681 0.187 4.136 1.00 22.04 C ATOM 965 C TYR A 63 -1.029 0.539 2.794 1.00 42.35 C ATOM 966 O TYR A 63 -1.604 0.322 1.729 1.00 23.14 O ATOM 967 CB TYR A 63 -1.848 -1.333 4.266 1.00 30.11 C ATOM 968 CG TYR A 63 -2.070 -1.795 5.695 1.00 70.32 C ATOM 969 CD1 TYR A 63 -3.338 -1.791 6.270 1.00 74.50 C ATOM 970 CD2 TYR A 63 -1.001 -2.226 6.473 1.00 62.34 C ATOM 971 CE1 TYR A 63 -3.529 -2.205 7.575 1.00 71.43 C ATOM 972 CE2 TYR A 63 -1.187 -2.641 7.777 1.00 5.23 C ATOM 973 CZ TYR A 63 -2.450 -2.629 8.324 1.00 51.45 C ATOM 974 OH TYR A 63 -2.630 -3.042 9.627 1.00 64.34 O ATOM 0 H TYR A 63 -3.744 0.397 3.802 1.00 70.24 H new ATOM 0 HA TYR A 63 -1.024 0.539 4.931 1.00 22.04 H new ATOM 0 HB2 TYR A 63 -2.691 -1.652 3.654 1.00 30.11 H new ATOM 0 HB3 TYR A 63 -0.960 -1.824 3.867 1.00 30.11 H new ATOM 0 HD1 TYR A 63 -4.185 -1.459 5.688 1.00 74.50 H new ATOM 0 HD2 TYR A 63 -0.007 -2.236 6.050 1.00 62.34 H new ATOM 0 HE1 TYR A 63 -4.519 -2.197 8.007 1.00 71.43 H new ATOM 0 HE2 TYR A 63 -0.345 -2.974 8.365 1.00 5.23 H new ATOM 0 HH TYR A 63 -1.767 -3.308 10.008 1.00 64.34 H new ATOM 984 N VAL A 64 0.178 1.082 2.862 1.00 24.04 N ATOM 985 CA VAL A 64 0.917 1.517 1.677 1.00 64.33 C ATOM 986 C VAL A 64 2.054 0.545 1.338 1.00 40.00 C ATOM 987 O VAL A 64 2.726 0.035 2.234 1.00 22.23 O ATOM 988 CB VAL A 64 1.508 2.932 1.909 1.00 24.42 C ATOM 989 CG1 VAL A 64 2.476 3.325 0.796 1.00 63.11 C ATOM 990 CG2 VAL A 64 0.390 3.963 2.048 1.00 42.54 C ATOM 0 H VAL A 64 0.676 1.235 3.739 1.00 24.04 H new ATOM 0 HA VAL A 64 0.218 1.538 0.841 1.00 64.33 H new ATOM 0 HB VAL A 64 2.074 2.908 2.840 1.00 24.42 H new ATOM 0 HG11 VAL A 64 2.870 4.322 0.992 1.00 63.11 H new ATOM 0 HG12 VAL A 64 3.298 2.610 0.760 1.00 63.11 H new ATOM 0 HG13 VAL A 64 1.952 3.324 -0.160 1.00 63.11 H new ATOM 0 HG21 VAL A 64 0.823 4.950 2.210 1.00 42.54 H new ATOM 0 HG22 VAL A 64 -0.209 3.975 1.138 1.00 42.54 H new ATOM 0 HG23 VAL A 64 -0.243 3.701 2.896 1.00 42.54 H new ATOM 1000 N TYR A 65 2.263 0.284 0.044 1.00 21.52 N ATOM 1001 CA TYR A 65 3.406 -0.517 -0.395 1.00 25.31 C ATOM 1002 C TYR A 65 4.065 0.079 -1.653 1.00 11.05 C ATOM 1003 O TYR A 65 3.393 0.407 -2.641 1.00 54.15 O ATOM 1004 CB TYR A 65 2.996 -1.984 -0.626 1.00 64.42 C ATOM 1005 CG TYR A 65 2.232 -2.263 -1.910 1.00 30.35 C ATOM 1006 CD1 TYR A 65 0.914 -1.855 -2.076 1.00 31.30 C ATOM 1007 CD2 TYR A 65 2.838 -2.954 -2.952 1.00 32.41 C ATOM 1008 CE1 TYR A 65 0.226 -2.131 -3.246 1.00 31.21 C ATOM 1009 CE2 TYR A 65 2.159 -3.235 -4.118 1.00 51.12 C ATOM 1010 CZ TYR A 65 0.854 -2.822 -4.263 1.00 31.34 C ATOM 1011 OH TYR A 65 0.174 -3.107 -5.425 1.00 23.31 O ATOM 0 H TYR A 65 1.661 0.613 -0.711 1.00 21.52 H new ATOM 0 HA TYR A 65 4.148 -0.496 0.403 1.00 25.31 H new ATOM 0 HB2 TYR A 65 3.896 -2.598 -0.620 1.00 64.42 H new ATOM 0 HB3 TYR A 65 2.384 -2.307 0.216 1.00 64.42 H new ATOM 0 HD1 TYR A 65 0.419 -1.315 -1.282 1.00 31.30 H new ATOM 0 HD2 TYR A 65 3.863 -3.278 -2.846 1.00 32.41 H new ATOM 0 HE1 TYR A 65 -0.798 -1.807 -3.362 1.00 31.21 H new ATOM 0 HE2 TYR A 65 2.648 -3.777 -4.914 1.00 51.12 H new ATOM 0 HH TYR A 65 0.449 -2.481 -6.127 1.00 23.31 H new ATOM 1021 N GLY A 66 5.382 0.252 -1.585 1.00 63.21 N ATOM 1022 CA GLY A 66 6.155 0.744 -2.719 1.00 73.51 C ATOM 1023 C GLY A 66 7.082 -0.320 -3.295 1.00 25.23 C ATOM 1024 O GLY A 66 6.959 -1.504 -2.975 1.00 65.31 O ATOM 0 H GLY A 66 5.937 0.057 -0.752 1.00 63.21 H new ATOM 0 HA2 GLY A 66 5.474 1.089 -3.497 1.00 73.51 H new ATOM 0 HA3 GLY A 66 6.745 1.606 -2.407 1.00 73.51 H new ATOM 1028 N ALA A 67 8.007 0.092 -4.161 1.00 43.15 N ATOM 1029 CA ALA A 67 9.028 -0.821 -4.690 1.00 60.53 C ATOM 1030 C ALA A 67 10.075 -1.153 -3.616 1.00 63.21 C ATOM 1031 O ALA A 67 10.714 -2.206 -3.652 1.00 23.33 O ATOM 1032 CB ALA A 67 9.693 -0.214 -5.920 1.00 75.34 C ATOM 0 H ALA A 67 8.073 1.047 -4.512 1.00 43.15 H new ATOM 0 HA ALA A 67 8.539 -1.751 -4.982 1.00 60.53 H new ATOM 0 HB1 ALA A 67 10.448 -0.901 -6.302 1.00 75.34 H new ATOM 0 HB2 ALA A 67 8.942 -0.036 -6.689 1.00 75.34 H new ATOM 0 HB3 ALA A 67 10.166 0.730 -5.649 1.00 75.34 H new ATOM 1038 N GLY A 68 10.237 -0.239 -2.663 1.00 12.35 N ATOM 1039 CA GLY A 68 11.140 -0.454 -1.541 1.00 22.30 C ATOM 1040 C GLY A 68 10.611 0.155 -0.246 1.00 2.01 C ATOM 1041 O GLY A 68 9.658 0.941 -0.267 1.00 33.14 O ATOM 0 H GLY A 68 9.753 0.659 -2.647 1.00 12.35 H new ATOM 0 HA2 GLY A 68 11.293 -1.524 -1.401 1.00 22.30 H new ATOM 0 HA3 GLY A 68 12.113 -0.021 -1.773 1.00 22.30 H new ATOM 1045 N ASP A 69 11.223 -0.200 0.881 1.00 30.11 N ATOM 1046 CA ASP A 69 10.802 0.312 2.193 1.00 61.13 C ATOM 1047 C ASP A 69 10.794 1.851 2.240 1.00 50.34 C ATOM 1048 O ASP A 69 9.896 2.455 2.828 1.00 53.53 O ATOM 1049 CB ASP A 69 11.712 -0.238 3.296 1.00 22.00 C ATOM 1050 CG ASP A 69 11.618 -1.745 3.427 1.00 1.15 C ATOM 1051 OD1 ASP A 69 12.228 -2.454 2.600 1.00 25.33 O ATOM 1052 OD2 ASP A 69 10.945 -2.230 4.360 1.00 44.13 O ATOM 0 H ASP A 69 12.015 -0.842 0.917 1.00 30.11 H new ATOM 0 HA ASP A 69 9.780 -0.029 2.359 1.00 61.13 H new ATOM 0 HB2 ASP A 69 12.744 0.042 3.084 1.00 22.00 H new ATOM 0 HB3 ASP A 69 11.445 0.224 4.247 1.00 22.00 H new ATOM 1057 N GLU A 70 11.783 2.482 1.607 1.00 65.11 N ATOM 1058 CA GLU A 70 11.888 3.946 1.608 1.00 42.22 C ATOM 1059 C GLU A 70 10.696 4.606 0.891 1.00 61.54 C ATOM 1060 O GLU A 70 10.044 5.489 1.447 1.00 44.41 O ATOM 1061 CB GLU A 70 13.203 4.393 0.958 1.00 13.14 C ATOM 1062 CG GLU A 70 13.369 5.909 0.892 1.00 54.42 C ATOM 1063 CD GLU A 70 14.717 6.330 0.338 1.00 14.21 C ATOM 1064 OE1 GLU A 70 14.862 6.422 -0.896 1.00 40.43 O ATOM 1065 OE2 GLU A 70 15.642 6.585 1.143 1.00 71.04 O ATOM 0 H GLU A 70 12.522 2.007 1.088 1.00 65.11 H new ATOM 0 HA GLU A 70 11.874 4.270 2.649 1.00 42.22 H new ATOM 0 HB2 GLU A 70 14.037 3.969 1.517 1.00 13.14 H new ATOM 0 HB3 GLU A 70 13.256 3.986 -0.052 1.00 13.14 H new ATOM 0 HG2 GLU A 70 12.579 6.330 0.270 1.00 54.42 H new ATOM 0 HG3 GLU A 70 13.245 6.327 1.891 1.00 54.42 H new ATOM 1072 N GLN A 71 10.417 4.177 -0.343 1.00 32.14 N ATOM 1073 CA GLN A 71 9.263 4.692 -1.096 1.00 4.34 C ATOM 1074 C GLN A 71 7.965 4.484 -0.305 1.00 41.11 C ATOM 1075 O GLN A 71 7.114 5.373 -0.222 1.00 3.13 O ATOM 1076 CB GLN A 71 9.153 3.995 -2.460 1.00 52.22 C ATOM 1077 CG GLN A 71 7.964 4.460 -3.292 1.00 25.41 C ATOM 1078 CD GLN A 71 7.916 3.807 -4.656 1.00 71.12 C ATOM 1079 OE1 GLN A 71 7.332 2.745 -4.830 1.00 51.42 O ATOM 1080 NE2 GLN A 71 8.534 4.430 -5.633 1.00 75.35 N ATOM 0 H GLN A 71 10.969 3.479 -0.842 1.00 32.14 H new ATOM 0 HA GLN A 71 9.414 5.760 -1.254 1.00 4.34 H new ATOM 0 HB2 GLN A 71 10.070 4.171 -3.023 1.00 52.22 H new ATOM 0 HB3 GLN A 71 9.077 2.919 -2.303 1.00 52.22 H new ATOM 0 HG2 GLN A 71 7.041 4.239 -2.755 1.00 25.41 H new ATOM 0 HG3 GLN A 71 8.011 5.542 -3.413 1.00 25.41 H new ATOM 0 HE21 GLN A 71 9.011 5.314 -5.453 1.00 75.35 H new ATOM 0 HE22 GLN A 71 8.537 4.030 -6.571 1.00 75.35 H new ATOM 1089 N THR A 72 7.839 3.299 0.283 1.00 72.42 N ATOM 1090 CA THR A 72 6.684 2.951 1.112 1.00 50.44 C ATOM 1091 C THR A 72 6.527 3.928 2.289 1.00 40.40 C ATOM 1092 O THR A 72 5.469 4.532 2.475 1.00 25.51 O ATOM 1093 CB THR A 72 6.824 1.512 1.666 1.00 11.11 C ATOM 1094 OG1 THR A 72 7.046 0.584 0.591 1.00 74.24 O ATOM 1095 CG2 THR A 72 5.580 1.098 2.435 1.00 12.22 C ATOM 0 H THR A 72 8.530 2.553 0.201 1.00 72.42 H new ATOM 0 HA THR A 72 5.799 3.015 0.478 1.00 50.44 H new ATOM 0 HB THR A 72 7.677 1.499 2.344 1.00 11.11 H new ATOM 0 HG1 THR A 72 7.972 0.660 0.280 1.00 74.24 H new ATOM 0 HG21 THR A 72 5.706 0.083 2.812 1.00 12.22 H new ATOM 0 HG22 THR A 72 5.426 1.780 3.271 1.00 12.22 H new ATOM 0 HG23 THR A 72 4.715 1.134 1.773 1.00 12.22 H new ATOM 1103 N SER A 73 7.601 4.092 3.060 1.00 45.24 N ATOM 1104 CA SER A 73 7.593 4.955 4.254 1.00 41.24 C ATOM 1105 C SER A 73 7.323 6.428 3.904 1.00 63.20 C ATOM 1106 O SER A 73 6.529 7.099 4.568 1.00 21.42 O ATOM 1107 CB SER A 73 8.927 4.844 5.004 1.00 1.45 C ATOM 1108 OG SER A 73 8.914 5.618 6.192 1.00 52.33 O ATOM 0 H SER A 73 8.497 3.638 2.882 1.00 45.24 H new ATOM 0 HA SER A 73 6.781 4.607 4.892 1.00 41.24 H new ATOM 0 HB2 SER A 73 9.123 3.800 5.249 1.00 1.45 H new ATOM 0 HB3 SER A 73 9.739 5.178 4.358 1.00 1.45 H new ATOM 0 HG SER A 73 8.426 5.136 6.891 1.00 52.33 H new ATOM 1114 N GLN A 74 7.977 6.928 2.853 1.00 73.51 N ATOM 1115 CA GLN A 74 7.816 8.312 2.427 1.00 21.34 C ATOM 1116 C GLN A 74 6.367 8.605 2.002 1.00 53.31 C ATOM 1117 O GLN A 74 5.795 9.631 2.371 1.00 71.35 O ATOM 1118 CB GLN A 74 8.799 8.609 1.287 1.00 42.43 C ATOM 1119 CG GLN A 74 8.379 9.768 0.411 1.00 64.24 C ATOM 1120 CD GLN A 74 9.404 10.113 -0.652 1.00 74.25 C ATOM 1121 OE1 GLN A 74 9.380 9.585 -1.759 1.00 43.51 O ATOM 1122 NE2 GLN A 74 10.312 11.005 -0.325 1.00 43.51 N ATOM 0 H GLN A 74 8.626 6.388 2.281 1.00 73.51 H new ATOM 0 HA GLN A 74 8.037 8.968 3.269 1.00 21.34 H new ATOM 0 HB2 GLN A 74 9.780 8.822 1.711 1.00 42.43 H new ATOM 0 HB3 GLN A 74 8.906 7.717 0.669 1.00 42.43 H new ATOM 0 HG2 GLN A 74 7.432 9.526 -0.071 1.00 64.24 H new ATOM 0 HG3 GLN A 74 8.204 10.644 1.036 1.00 64.24 H new ATOM 0 HE21 GLN A 74 10.303 11.425 0.605 1.00 43.51 H new ATOM 0 HE22 GLN A 74 11.026 11.278 -1.001 1.00 43.51 H new ATOM 1131 N ALA A 75 5.777 7.697 1.230 1.00 52.24 N ATOM 1132 CA ALA A 75 4.372 7.816 0.835 1.00 30.03 C ATOM 1133 C ALA A 75 3.459 7.894 2.067 1.00 71.44 C ATOM 1134 O ALA A 75 2.578 8.752 2.155 1.00 63.02 O ATOM 1135 CB ALA A 75 3.986 6.640 -0.048 1.00 14.15 C ATOM 0 H ALA A 75 6.248 6.870 0.864 1.00 52.24 H new ATOM 0 HA ALA A 75 4.244 8.740 0.270 1.00 30.03 H new ATOM 0 HB1 ALA A 75 2.940 6.732 -0.340 1.00 14.15 H new ATOM 0 HB2 ALA A 75 4.612 6.634 -0.940 1.00 14.15 H new ATOM 0 HB3 ALA A 75 4.129 5.710 0.502 1.00 14.15 H new ATOM 1141 N VAL A 76 3.686 6.988 3.011 1.00 22.25 N ATOM 1142 CA VAL A 76 2.990 7.012 4.305 1.00 31.33 C ATOM 1143 C VAL A 76 3.126 8.380 5.000 1.00 24.22 C ATOM 1144 O VAL A 76 2.151 8.916 5.539 1.00 14.24 O ATOM 1145 CB VAL A 76 3.533 5.898 5.237 1.00 22.32 C ATOM 1146 CG1 VAL A 76 2.967 6.021 6.648 1.00 61.43 C ATOM 1147 CG2 VAL A 76 3.220 4.524 4.658 1.00 24.14 C ATOM 0 H VAL A 76 4.350 6.220 2.909 1.00 22.25 H new ATOM 0 HA VAL A 76 1.933 6.834 4.106 1.00 31.33 H new ATOM 0 HB VAL A 76 4.614 6.018 5.302 1.00 22.32 H new ATOM 0 HG11 VAL A 76 3.370 5.224 7.272 1.00 61.43 H new ATOM 0 HG12 VAL A 76 3.245 6.987 7.069 1.00 61.43 H new ATOM 0 HG13 VAL A 76 1.881 5.940 6.613 1.00 61.43 H new ATOM 0 HG21 VAL A 76 3.607 3.752 5.323 1.00 24.14 H new ATOM 0 HG22 VAL A 76 2.141 4.409 4.558 1.00 24.14 H new ATOM 0 HG23 VAL A 76 3.688 4.427 3.678 1.00 24.14 H new ATOM 1157 N ASN A 77 4.338 8.938 4.984 1.00 13.45 N ATOM 1158 CA ASN A 77 4.596 10.278 5.532 1.00 43.11 C ATOM 1159 C ASN A 77 3.670 11.315 4.886 1.00 4.22 C ATOM 1160 O ASN A 77 3.026 12.113 5.565 1.00 65.31 O ATOM 1161 CB ASN A 77 6.052 10.674 5.274 1.00 2.42 C ATOM 1162 CG ASN A 77 6.443 11.979 5.947 1.00 21.45 C ATOM 1163 OD1 ASN A 77 5.964 12.313 7.028 1.00 74.21 O ATOM 1164 ND2 ASN A 77 7.301 12.741 5.303 1.00 42.43 N ATOM 0 H ASN A 77 5.164 8.482 4.596 1.00 13.45 H new ATOM 0 HA ASN A 77 4.405 10.251 6.605 1.00 43.11 H new ATOM 0 HB2 ASN A 77 6.707 9.878 5.629 1.00 2.42 H new ATOM 0 HB3 ASN A 77 6.213 10.764 4.200 1.00 2.42 H new ATOM 0 HD21 ASN A 77 7.586 13.636 5.700 1.00 42.43 H new ATOM 0 HD22 ASN A 77 7.681 12.436 4.407 1.00 42.43 H new ATOM 1171 N LEU A 78 3.612 11.274 3.562 1.00 11.34 N ATOM 1172 CA LEU A 78 2.794 12.195 2.772 1.00 65.12 C ATOM 1173 C LEU A 78 1.299 12.080 3.119 1.00 21.22 C ATOM 1174 O LEU A 78 0.577 13.078 3.144 1.00 70.01 O ATOM 1175 CB LEU A 78 3.039 11.903 1.289 1.00 4.42 C ATOM 1176 CG LEU A 78 4.493 12.126 0.836 1.00 33.33 C ATOM 1177 CD1 LEU A 78 4.770 11.426 -0.486 1.00 52.30 C ATOM 1178 CD2 LEU A 78 4.804 13.618 0.736 1.00 22.30 C ATOM 0 H LEU A 78 4.132 10.600 3.000 1.00 11.34 H new ATOM 0 HA LEU A 78 3.083 13.220 3.005 1.00 65.12 H new ATOM 0 HB2 LEU A 78 2.760 10.870 1.082 1.00 4.42 H new ATOM 0 HB3 LEU A 78 2.383 12.536 0.692 1.00 4.42 H new ATOM 0 HG LEU A 78 5.150 11.689 1.588 1.00 33.33 H new ATOM 0 HD11 LEU A 78 5.805 11.601 -0.781 1.00 52.30 H new ATOM 0 HD12 LEU A 78 4.601 10.355 -0.373 1.00 52.30 H new ATOM 0 HD13 LEU A 78 4.103 11.819 -1.253 1.00 52.30 H new ATOM 0 HD21 LEU A 78 5.837 13.754 0.414 1.00 22.30 H new ATOM 0 HD22 LEU A 78 4.134 14.081 0.012 1.00 22.30 H new ATOM 0 HD23 LEU A 78 4.663 14.085 1.711 1.00 22.30 H new ATOM 1190 N LEU A 79 0.842 10.863 3.402 1.00 34.40 N ATOM 1191 CA LEU A 79 -0.551 10.638 3.797 1.00 30.43 C ATOM 1192 C LEU A 79 -0.833 11.157 5.214 1.00 2.54 C ATOM 1193 O LEU A 79 -1.768 11.933 5.424 1.00 11.22 O ATOM 1194 CB LEU A 79 -0.901 9.150 3.694 1.00 32.42 C ATOM 1195 CG LEU A 79 -0.949 8.597 2.264 1.00 62.12 C ATOM 1196 CD1 LEU A 79 -1.233 7.100 2.272 1.00 11.11 C ATOM 1197 CD2 LEU A 79 -1.993 9.341 1.433 1.00 34.12 C ATOM 0 H LEU A 79 1.412 10.018 3.366 1.00 34.40 H new ATOM 0 HA LEU A 79 -1.183 11.201 3.109 1.00 30.43 H new ATOM 0 HB2 LEU A 79 -0.169 8.579 4.265 1.00 32.42 H new ATOM 0 HB3 LEU A 79 -1.870 8.986 4.165 1.00 32.42 H new ATOM 0 HG LEU A 79 0.027 8.754 1.806 1.00 62.12 H new ATOM 0 HD11 LEU A 79 -1.262 6.730 1.247 1.00 11.11 H new ATOM 0 HD12 LEU A 79 -0.446 6.583 2.822 1.00 11.11 H new ATOM 0 HD13 LEU A 79 -2.194 6.914 2.753 1.00 11.11 H new ATOM 0 HD21 LEU A 79 -2.011 8.934 0.422 1.00 34.12 H new ATOM 0 HD22 LEU A 79 -2.975 9.221 1.890 1.00 34.12 H new ATOM 0 HD23 LEU A 79 -1.739 10.400 1.393 1.00 34.12 H new ATOM 1209 N ARG A 80 -0.030 10.745 6.193 1.00 63.33 N ATOM 1210 CA ARG A 80 -0.208 11.237 7.564 1.00 51.11 C ATOM 1211 C ARG A 80 -0.027 12.766 7.623 1.00 64.41 C ATOM 1212 O ARG A 80 -0.624 13.440 8.460 1.00 63.21 O ATOM 1213 CB ARG A 80 0.744 10.529 8.541 1.00 13.33 C ATOM 1214 CG ARG A 80 2.223 10.726 8.235 1.00 64.22 C ATOM 1215 CD ARG A 80 3.109 9.990 9.234 1.00 42.54 C ATOM 1216 NE ARG A 80 2.828 8.552 9.271 1.00 71.04 N ATOM 1217 CZ ARG A 80 3.696 7.645 9.641 1.00 64.31 C ATOM 1218 NH1 ARG A 80 4.909 7.977 9.953 1.00 4.40 N ATOM 1219 NH2 ARG A 80 3.358 6.392 9.685 1.00 72.42 N ATOM 0 H ARG A 80 0.737 10.084 6.070 1.00 63.33 H new ATOM 0 HA ARG A 80 -1.227 11.004 7.873 1.00 51.11 H new ATOM 0 HB2 ARG A 80 0.543 10.890 9.550 1.00 13.33 H new ATOM 0 HB3 ARG A 80 0.523 9.462 8.534 1.00 13.33 H new ATOM 0 HG2 ARG A 80 2.437 10.369 7.227 1.00 64.22 H new ATOM 0 HG3 ARG A 80 2.460 11.790 8.253 1.00 64.22 H new ATOM 0 HD2 ARG A 80 4.156 10.147 8.973 1.00 42.54 H new ATOM 0 HD3 ARG A 80 2.961 10.413 10.228 1.00 42.54 H new ATOM 0 HE ARG A 80 1.899 8.239 8.991 1.00 71.04 H new ATOM 0 HH11 ARG A 80 5.197 8.955 9.912 1.00 4.40 H new ATOM 0 HH12 ARG A 80 5.576 7.261 10.240 1.00 4.40 H new ATOM 0 HH21 ARG A 80 2.411 6.110 9.430 1.00 72.42 H new ATOM 0 HH22 ARG A 80 4.039 5.690 9.974 1.00 72.42 H new ATOM 1233 N SER A 81 0.789 13.309 6.714 1.00 71.24 N ATOM 1234 CA SER A 81 0.928 14.769 6.570 1.00 74.11 C ATOM 1235 C SER A 81 -0.366 15.406 6.018 1.00 62.22 C ATOM 1236 O SER A 81 -0.681 16.558 6.317 1.00 71.13 O ATOM 1237 CB SER A 81 2.109 15.104 5.650 1.00 14.32 C ATOM 1238 OG SER A 81 2.369 16.500 5.628 1.00 5.23 O ATOM 0 H SER A 81 1.362 12.766 6.068 1.00 71.24 H new ATOM 0 HA SER A 81 1.115 15.184 7.560 1.00 74.11 H new ATOM 0 HB2 SER A 81 2.998 14.572 5.989 1.00 14.32 H new ATOM 0 HB3 SER A 81 1.895 14.756 4.639 1.00 14.32 H new ATOM 0 HG SER A 81 3.127 16.682 5.035 1.00 5.23 H new ATOM 1244 N ALA A 82 -1.116 14.640 5.218 1.00 51.41 N ATOM 1245 CA ALA A 82 -2.412 15.092 4.675 1.00 71.10 C ATOM 1246 C ALA A 82 -3.537 15.001 5.727 1.00 23.23 C ATOM 1247 O ALA A 82 -4.687 15.366 5.463 1.00 22.44 O ATOM 1248 CB ALA A 82 -2.783 14.272 3.437 1.00 45.03 C ATOM 0 H ALA A 82 -0.850 13.699 4.928 1.00 51.41 H new ATOM 0 HA ALA A 82 -2.303 16.140 4.395 1.00 71.10 H new ATOM 0 HB1 ALA A 82 -3.741 14.616 3.047 1.00 45.03 H new ATOM 0 HB2 ALA A 82 -2.014 14.397 2.674 1.00 45.03 H new ATOM 0 HB3 ALA A 82 -2.858 13.219 3.707 1.00 45.03 H new ATOM 1254 N GLY A 83 -3.203 14.502 6.915 1.00 3.14 N ATOM 1255 CA GLY A 83 -4.187 14.380 7.987 1.00 25.34 C ATOM 1256 C GLY A 83 -4.713 12.959 8.165 1.00 71.01 C ATOM 1257 O GLY A 83 -5.569 12.713 9.014 1.00 20.04 O ATOM 0 H GLY A 83 -2.267 14.178 7.158 1.00 3.14 H new ATOM 0 HA2 GLY A 83 -3.738 14.714 8.923 1.00 25.34 H new ATOM 0 HA3 GLY A 83 -5.024 15.047 7.780 1.00 25.34 H new ATOM 1261 N PHE A 84 -4.219 12.022 7.357 1.00 3.50 N ATOM 1262 CA PHE A 84 -4.629 10.619 7.474 1.00 24.14 C ATOM 1263 C PHE A 84 -4.058 9.981 8.755 1.00 72.01 C ATOM 1264 O PHE A 84 -2.863 9.697 8.844 1.00 43.31 O ATOM 1265 CB PHE A 84 -4.192 9.816 6.240 1.00 60.31 C ATOM 1266 CG PHE A 84 -4.899 10.205 4.961 1.00 23.41 C ATOM 1267 CD1 PHE A 84 -6.134 9.658 4.641 1.00 14.54 C ATOM 1268 CD2 PHE A 84 -4.328 11.107 4.075 1.00 63.20 C ATOM 1269 CE1 PHE A 84 -6.782 10.006 3.469 1.00 61.24 C ATOM 1270 CE2 PHE A 84 -4.970 11.454 2.904 1.00 45.30 C ATOM 1271 CZ PHE A 84 -6.199 10.904 2.603 1.00 10.44 C ATOM 0 H PHE A 84 -3.539 12.204 6.619 1.00 3.50 H new ATOM 0 HA PHE A 84 -5.717 10.596 7.534 1.00 24.14 H new ATOM 0 HB2 PHE A 84 -3.118 9.942 6.101 1.00 60.31 H new ATOM 0 HB3 PHE A 84 -4.366 8.757 6.430 1.00 60.31 H new ATOM 0 HD1 PHE A 84 -6.595 8.952 5.315 1.00 14.54 H new ATOM 0 HD2 PHE A 84 -3.367 11.544 4.305 1.00 63.20 H new ATOM 0 HE1 PHE A 84 -7.743 9.574 3.234 1.00 61.24 H new ATOM 0 HE2 PHE A 84 -4.511 12.156 2.223 1.00 45.30 H new ATOM 0 HZ PHE A 84 -6.704 11.178 1.688 1.00 10.44 H new ATOM 1281 N GLU A 85 -4.928 9.777 9.743 1.00 72.13 N ATOM 1282 CA GLU A 85 -4.533 9.206 11.038 1.00 23.34 C ATOM 1283 C GLU A 85 -3.951 7.790 10.895 1.00 23.32 C ATOM 1284 O GLU A 85 -2.854 7.503 11.374 1.00 3.24 O ATOM 1285 CB GLU A 85 -5.743 9.149 11.981 1.00 44.33 C ATOM 1286 CG GLU A 85 -6.322 10.507 12.367 1.00 51.01 C ATOM 1287 CD GLU A 85 -7.462 10.374 13.367 1.00 11.00 C ATOM 1288 OE1 GLU A 85 -7.188 10.338 14.588 1.00 22.24 O ATOM 1289 OE2 GLU A 85 -8.633 10.271 12.939 1.00 44.31 O ATOM 0 H GLU A 85 -5.921 10.000 9.674 1.00 72.13 H new ATOM 0 HA GLU A 85 -3.760 9.855 11.448 1.00 23.34 H new ATOM 0 HB2 GLU A 85 -6.527 8.558 11.507 1.00 44.33 H new ATOM 0 HB3 GLU A 85 -5.452 8.623 12.890 1.00 44.33 H new ATOM 0 HG2 GLU A 85 -5.535 11.129 12.794 1.00 51.01 H new ATOM 0 HG3 GLU A 85 -6.681 11.016 11.473 1.00 51.01 H new ATOM 1296 N HIS A 86 -4.700 6.904 10.240 1.00 54.45 N ATOM 1297 CA HIS A 86 -4.330 5.485 10.162 1.00 72.05 C ATOM 1298 C HIS A 86 -3.619 5.149 8.844 1.00 31.11 C ATOM 1299 O HIS A 86 -4.255 4.788 7.859 1.00 3.41 O ATOM 1300 CB HIS A 86 -5.578 4.603 10.328 1.00 62.23 C ATOM 1301 CG HIS A 86 -6.261 4.766 11.654 1.00 14.01 C ATOM 1302 ND1 HIS A 86 -6.498 3.716 12.512 1.00 5.42 N ATOM 1303 CD2 HIS A 86 -6.754 5.865 12.272 1.00 21.43 C ATOM 1304 CE1 HIS A 86 -7.097 4.161 13.597 1.00 11.35 C ATOM 1305 NE2 HIS A 86 -7.265 5.460 13.477 1.00 51.02 N ATOM 0 H HIS A 86 -5.566 7.140 9.755 1.00 54.45 H new ATOM 0 HA HIS A 86 -3.631 5.283 10.974 1.00 72.05 H new ATOM 0 HB2 HIS A 86 -6.286 4.838 9.533 1.00 62.23 H new ATOM 0 HB3 HIS A 86 -5.293 3.558 10.202 1.00 62.23 H new ATOM 0 HD1 HIS A 86 -6.248 2.743 12.335 1.00 5.42 H new ATOM 0 HD2 HIS A 86 -6.746 6.874 11.887 1.00 21.43 H new ATOM 0 HE1 HIS A 86 -7.399 3.561 14.442 1.00 11.35 H new ATOM 1314 N VAL A 87 -2.295 5.287 8.827 1.00 55.54 N ATOM 1315 CA VAL A 87 -1.494 4.923 7.651 1.00 50.23 C ATOM 1316 C VAL A 87 -0.254 4.113 8.058 1.00 70.20 C ATOM 1317 O VAL A 87 0.594 4.593 8.816 1.00 73.52 O ATOM 1318 CB VAL A 87 -1.039 6.169 6.848 1.00 32.35 C ATOM 1319 CG1 VAL A 87 -0.362 5.755 5.543 1.00 10.31 C ATOM 1320 CG2 VAL A 87 -2.214 7.102 6.571 1.00 10.30 C ATOM 0 H VAL A 87 -1.751 5.647 9.611 1.00 55.54 H new ATOM 0 HA VAL A 87 -2.138 4.315 7.016 1.00 50.23 H new ATOM 0 HB VAL A 87 -0.313 6.711 7.454 1.00 32.35 H new ATOM 0 HG11 VAL A 87 -0.051 6.645 4.996 1.00 10.31 H new ATOM 0 HG12 VAL A 87 0.511 5.142 5.765 1.00 10.31 H new ATOM 0 HG13 VAL A 87 -1.063 5.182 4.935 1.00 10.31 H new ATOM 0 HG21 VAL A 87 -1.866 7.967 6.007 1.00 10.30 H new ATOM 0 HG22 VAL A 87 -2.971 6.572 5.993 1.00 10.30 H new ATOM 0 HG23 VAL A 87 -2.645 7.434 7.515 1.00 10.30 H new ATOM 1330 N SER A 88 -0.155 2.889 7.544 1.00 51.14 N ATOM 1331 CA SER A 88 0.942 1.977 7.897 1.00 2.33 C ATOM 1332 C SER A 88 1.796 1.619 6.672 1.00 22.04 C ATOM 1333 O SER A 88 1.273 1.415 5.570 1.00 42.15 O ATOM 1334 CB SER A 88 0.381 0.694 8.525 1.00 5.41 C ATOM 1335 OG SER A 88 1.414 -0.167 8.969 1.00 42.24 O ATOM 0 H SER A 88 -0.823 2.500 6.878 1.00 51.14 H new ATOM 0 HA SER A 88 1.579 2.491 8.617 1.00 2.33 H new ATOM 0 HB2 SER A 88 -0.264 0.952 9.365 1.00 5.41 H new ATOM 0 HB3 SER A 88 -0.239 0.173 7.796 1.00 5.41 H new ATOM 0 HG SER A 88 1.021 -0.973 9.365 1.00 42.24 H new ATOM 1341 N GLU A 89 3.112 1.553 6.868 1.00 24.12 N ATOM 1342 CA GLU A 89 4.046 1.199 5.793 1.00 73.50 C ATOM 1343 C GLU A 89 4.319 -0.317 5.755 1.00 41.21 C ATOM 1344 O GLU A 89 4.742 -0.915 6.750 1.00 22.52 O ATOM 1345 CB GLU A 89 5.364 1.985 5.945 1.00 12.44 C ATOM 1346 CG GLU A 89 6.031 1.837 7.305 1.00 51.33 C ATOM 1347 CD GLU A 89 7.354 2.581 7.407 1.00 72.15 C ATOM 1348 OE1 GLU A 89 8.395 2.007 7.012 1.00 23.31 O ATOM 1349 OE2 GLU A 89 7.365 3.731 7.897 1.00 41.43 O ATOM 0 H GLU A 89 3.560 1.741 7.765 1.00 24.12 H new ATOM 0 HA GLU A 89 3.582 1.473 4.846 1.00 73.50 H new ATOM 0 HB2 GLU A 89 6.061 1.655 5.174 1.00 12.44 H new ATOM 0 HB3 GLU A 89 5.166 3.041 5.764 1.00 12.44 H new ATOM 0 HG2 GLU A 89 5.354 2.205 8.076 1.00 51.33 H new ATOM 0 HG3 GLU A 89 6.200 0.779 7.507 1.00 51.33 H new ATOM 1356 N LEU A 90 4.066 -0.939 4.604 1.00 74.31 N ATOM 1357 CA LEU A 90 4.309 -2.375 4.440 1.00 42.13 C ATOM 1358 C LEU A 90 5.812 -2.662 4.303 1.00 34.21 C ATOM 1359 O LEU A 90 6.469 -2.169 3.386 1.00 60.11 O ATOM 1360 CB LEU A 90 3.555 -2.915 3.214 1.00 51.03 C ATOM 1361 CG LEU A 90 3.528 -4.447 3.082 1.00 71.13 C ATOM 1362 CD1 LEU A 90 2.819 -5.076 4.282 1.00 33.53 C ATOM 1363 CD2 LEU A 90 2.859 -4.860 1.772 1.00 51.40 C ATOM 0 H LEU A 90 3.695 -0.476 3.775 1.00 74.31 H new ATOM 0 HA LEU A 90 3.939 -2.883 5.331 1.00 42.13 H new ATOM 0 HB2 LEU A 90 2.528 -2.552 3.250 1.00 51.03 H new ATOM 0 HB3 LEU A 90 4.009 -2.497 2.316 1.00 51.03 H new ATOM 0 HG LEU A 90 4.555 -4.812 3.067 1.00 71.13 H new ATOM 0 HD11 LEU A 90 2.809 -6.160 4.172 1.00 33.53 H new ATOM 0 HD12 LEU A 90 3.347 -4.809 5.197 1.00 33.53 H new ATOM 0 HD13 LEU A 90 1.795 -4.707 4.334 1.00 33.53 H new ATOM 0 HD21 LEU A 90 2.849 -5.947 1.696 1.00 51.40 H new ATOM 0 HD22 LEU A 90 1.836 -4.485 1.752 1.00 51.40 H new ATOM 0 HD23 LEU A 90 3.415 -4.442 0.932 1.00 51.40 H new ATOM 1375 N LYS A 91 6.350 -3.458 5.222 1.00 20.20 N ATOM 1376 CA LYS A 91 7.774 -3.800 5.212 1.00 3.21 C ATOM 1377 C LYS A 91 8.130 -4.735 4.045 1.00 32.35 C ATOM 1378 O LYS A 91 7.428 -5.708 3.767 1.00 63.44 O ATOM 1379 CB LYS A 91 8.165 -4.441 6.550 1.00 41.43 C ATOM 1380 CG LYS A 91 8.036 -3.514 7.758 1.00 1.34 C ATOM 1381 CD LYS A 91 9.181 -2.498 7.858 1.00 24.44 C ATOM 1382 CE LYS A 91 8.982 -1.279 6.958 1.00 15.31 C ATOM 1383 NZ LYS A 91 10.121 -0.328 7.062 1.00 3.10 N ATOM 0 H LYS A 91 5.822 -3.881 5.986 1.00 20.20 H new ATOM 0 HA LYS A 91 8.339 -2.878 5.073 1.00 3.21 H new ATOM 0 HB2 LYS A 91 7.541 -5.320 6.714 1.00 41.43 H new ATOM 0 HB3 LYS A 91 9.196 -4.790 6.484 1.00 41.43 H new ATOM 0 HG2 LYS A 91 7.088 -2.980 7.700 1.00 1.34 H new ATOM 0 HG3 LYS A 91 8.009 -4.113 8.668 1.00 1.34 H new ATOM 0 HD2 LYS A 91 9.276 -2.167 8.892 1.00 24.44 H new ATOM 0 HD3 LYS A 91 10.118 -2.988 7.593 1.00 24.44 H new ATOM 0 HE2 LYS A 91 8.872 -1.604 5.923 1.00 15.31 H new ATOM 0 HE3 LYS A 91 8.057 -0.771 7.232 1.00 15.31 H new ATOM 0 HZ1 LYS A 91 9.759 0.647 7.077 1.00 3.10 H new ATOM 0 HZ2 LYS A 91 10.650 -0.515 7.938 1.00 3.10 H new ATOM 0 HZ3 LYS A 91 10.751 -0.450 6.244 1.00 3.10 H new ATOM 1397 N GLY A 92 9.231 -4.428 3.370 1.00 24.53 N ATOM 1398 CA GLY A 92 9.664 -5.221 2.221 1.00 75.44 C ATOM 1399 C GLY A 92 9.089 -4.727 0.893 1.00 44.32 C ATOM 1400 O GLY A 92 9.799 -4.125 0.087 1.00 34.15 O ATOM 0 H GLY A 92 9.839 -3.640 3.595 1.00 24.53 H new ATOM 0 HA2 GLY A 92 10.752 -5.204 2.166 1.00 75.44 H new ATOM 0 HA3 GLY A 92 9.369 -6.259 2.373 1.00 75.44 H new ATOM 1404 N GLY A 93 7.802 -4.990 0.661 1.00 21.23 N ATOM 1405 CA GLY A 93 7.147 -4.551 -0.575 1.00 21.04 C ATOM 1406 C GLY A 93 6.386 -5.669 -1.289 1.00 2.04 C ATOM 1407 O GLY A 93 5.961 -6.642 -0.660 1.00 11.44 O ATOM 0 H GLY A 93 7.197 -5.499 1.305 1.00 21.23 H new ATOM 0 HA2 GLY A 93 6.455 -3.741 -0.343 1.00 21.04 H new ATOM 0 HA3 GLY A 93 7.899 -4.144 -1.251 1.00 21.04 H new ATOM 1411 N LEU A 94 6.217 -5.532 -2.607 1.00 3.34 N ATOM 1412 CA LEU A 94 5.456 -6.510 -3.402 1.00 0.40 C ATOM 1413 C LEU A 94 6.140 -7.888 -3.414 1.00 60.52 C ATOM 1414 O LEU A 94 5.496 -8.907 -3.173 1.00 33.32 O ATOM 1415 CB LEU A 94 5.275 -6.010 -4.842 1.00 2.14 C ATOM 1416 CG LEU A 94 4.443 -6.931 -5.755 1.00 65.30 C ATOM 1417 CD1 LEU A 94 2.985 -6.977 -5.302 1.00 24.14 C ATOM 1418 CD2 LEU A 94 4.550 -6.488 -7.212 1.00 11.33 C ATOM 0 H LEU A 94 6.595 -4.755 -3.149 1.00 3.34 H new ATOM 0 HA LEU A 94 4.479 -6.619 -2.932 1.00 0.40 H new ATOM 0 HB2 LEU A 94 4.801 -5.029 -4.812 1.00 2.14 H new ATOM 0 HB3 LEU A 94 6.260 -5.874 -5.289 1.00 2.14 H new ATOM 0 HG LEU A 94 4.848 -7.940 -5.678 1.00 65.30 H new ATOM 0 HD11 LEU A 94 2.419 -7.634 -5.963 1.00 24.14 H new ATOM 0 HD12 LEU A 94 2.933 -7.357 -4.282 1.00 24.14 H new ATOM 0 HD13 LEU A 94 2.561 -5.973 -5.338 1.00 24.14 H new ATOM 0 HD21 LEU A 94 3.955 -7.152 -7.839 1.00 11.33 H new ATOM 0 HD22 LEU A 94 4.179 -5.468 -7.310 1.00 11.33 H new ATOM 0 HD23 LEU A 94 5.592 -6.527 -7.529 1.00 11.33 H new ATOM 1430 N ALA A 95 7.440 -7.907 -3.709 1.00 64.42 N ATOM 1431 CA ALA A 95 8.232 -9.144 -3.693 1.00 14.03 C ATOM 1432 C ALA A 95 8.080 -9.901 -2.363 1.00 71.25 C ATOM 1433 O ALA A 95 8.024 -11.127 -2.346 1.00 63.11 O ATOM 1434 CB ALA A 95 9.698 -8.831 -3.962 1.00 75.41 C ATOM 0 H ALA A 95 7.973 -7.075 -3.964 1.00 64.42 H new ATOM 0 HA ALA A 95 7.853 -9.792 -4.483 1.00 14.03 H new ATOM 0 HB1 ALA A 95 10.276 -9.755 -3.948 1.00 75.41 H new ATOM 0 HB2 ALA A 95 9.796 -8.357 -4.939 1.00 75.41 H new ATOM 0 HB3 ALA A 95 10.073 -8.157 -3.192 1.00 75.41 H new ATOM 1440 N ALA A 96 8.007 -9.162 -1.256 1.00 61.41 N ATOM 1441 CA ALA A 96 7.759 -9.765 0.060 1.00 20.23 C ATOM 1442 C ALA A 96 6.355 -10.391 0.123 1.00 64.34 C ATOM 1443 O ALA A 96 6.188 -11.536 0.547 1.00 74.01 O ATOM 1444 CB ALA A 96 7.925 -8.722 1.160 1.00 64.15 C ATOM 0 H ALA A 96 8.115 -8.148 -1.241 1.00 61.41 H new ATOM 0 HA ALA A 96 8.491 -10.558 0.214 1.00 20.23 H new ATOM 0 HB1 ALA A 96 7.738 -9.183 2.130 1.00 64.15 H new ATOM 0 HB2 ALA A 96 8.940 -8.326 1.136 1.00 64.15 H new ATOM 0 HB3 ALA A 96 7.215 -7.910 1.002 1.00 64.15 H new ATOM 1450 N TRP A 97 5.353 -9.626 -0.315 1.00 72.03 N ATOM 1451 CA TRP A 97 3.964 -10.102 -0.391 1.00 65.43 C ATOM 1452 C TRP A 97 3.859 -11.378 -1.248 1.00 60.53 C ATOM 1453 O TRP A 97 3.127 -12.308 -0.915 1.00 2.21 O ATOM 1454 CB TRP A 97 3.080 -8.995 -0.983 1.00 42.32 C ATOM 1455 CG TRP A 97 1.620 -9.338 -1.039 1.00 63.12 C ATOM 1456 CD1 TRP A 97 0.953 -9.929 -2.071 1.00 50.01 C ATOM 1457 CD2 TRP A 97 0.645 -9.092 -0.024 1.00 44.31 C ATOM 1458 NE1 TRP A 97 -0.376 -10.068 -1.758 1.00 4.32 N ATOM 1459 CE2 TRP A 97 -0.591 -9.558 -0.508 1.00 62.14 C ATOM 1460 CE3 TRP A 97 0.700 -8.521 1.247 1.00 22.44 C ATOM 1461 CZ2 TRP A 97 -1.763 -9.468 0.235 1.00 14.55 C ATOM 1462 CZ3 TRP A 97 -0.463 -8.433 1.985 1.00 33.03 C ATOM 1463 CH2 TRP A 97 -1.680 -8.903 1.477 1.00 21.53 C ATOM 0 H TRP A 97 5.477 -8.663 -0.627 1.00 72.03 H new ATOM 0 HA TRP A 97 3.624 -10.347 0.615 1.00 65.43 H new ATOM 0 HB2 TRP A 97 3.206 -8.089 -0.391 1.00 42.32 H new ATOM 0 HB3 TRP A 97 3.427 -8.768 -1.991 1.00 42.32 H new ATOM 0 HD1 TRP A 97 1.405 -10.242 -3.000 1.00 50.01 H new ATOM 0 HE1 TRP A 97 -1.087 -10.484 -2.360 1.00 4.32 H new ATOM 0 HE3 TRP A 97 1.634 -8.155 1.646 1.00 22.44 H new ATOM 0 HZ2 TRP A 97 -2.703 -9.831 -0.154 1.00 14.55 H new ATOM 0 HZ3 TRP A 97 -0.434 -7.994 2.971 1.00 33.03 H new ATOM 0 HH2 TRP A 97 -2.572 -8.817 2.079 1.00 21.53 H new ATOM 1474 N LYS A 98 4.598 -11.411 -2.349 1.00 74.31 N ATOM 1475 CA LYS A 98 4.587 -12.561 -3.261 1.00 32.22 C ATOM 1476 C LYS A 98 5.429 -13.737 -2.729 1.00 44.24 C ATOM 1477 O LYS A 98 5.041 -14.898 -2.869 1.00 34.43 O ATOM 1478 CB LYS A 98 5.077 -12.122 -4.648 1.00 33.22 C ATOM 1479 CG LYS A 98 4.078 -11.227 -5.379 1.00 14.44 C ATOM 1480 CD LYS A 98 4.640 -10.638 -6.677 1.00 24.43 C ATOM 1481 CE LYS A 98 5.463 -11.651 -7.470 1.00 4.24 C ATOM 1482 NZ LYS A 98 5.539 -11.302 -8.916 1.00 35.34 N ATOM 0 H LYS A 98 5.217 -10.654 -2.638 1.00 74.31 H new ATOM 0 HA LYS A 98 3.561 -12.921 -3.335 1.00 32.22 H new ATOM 0 HB2 LYS A 98 6.022 -11.590 -4.542 1.00 33.22 H new ATOM 0 HB3 LYS A 98 5.275 -13.006 -5.254 1.00 33.22 H new ATOM 0 HG2 LYS A 98 3.181 -11.803 -5.606 1.00 14.44 H new ATOM 0 HG3 LYS A 98 3.776 -10.414 -4.719 1.00 14.44 H new ATOM 0 HD2 LYS A 98 3.817 -10.279 -7.296 1.00 24.43 H new ATOM 0 HD3 LYS A 98 5.262 -9.774 -6.441 1.00 24.43 H new ATOM 0 HE2 LYS A 98 6.470 -11.702 -7.056 1.00 4.24 H new ATOM 0 HE3 LYS A 98 5.022 -12.642 -7.359 1.00 4.24 H new ATOM 0 HZ1 LYS A 98 6.107 -12.016 -9.416 1.00 35.34 H new ATOM 0 HZ2 LYS A 98 4.580 -11.278 -9.318 1.00 35.34 H new ATOM 0 HZ3 LYS A 98 5.983 -10.368 -9.025 1.00 35.34 H new ATOM 1496 N ALA A 99 6.566 -13.431 -2.102 1.00 3.10 N ATOM 1497 CA ALA A 99 7.465 -14.466 -1.562 1.00 4.23 C ATOM 1498 C ALA A 99 6.772 -15.316 -0.487 1.00 12.41 C ATOM 1499 O ALA A 99 7.039 -16.511 -0.352 1.00 25.44 O ATOM 1500 CB ALA A 99 8.728 -13.827 -0.992 1.00 75.23 C ATOM 0 H ALA A 99 6.891 -12.476 -1.953 1.00 3.10 H new ATOM 0 HA ALA A 99 7.737 -15.127 -2.385 1.00 4.23 H new ATOM 0 HB1 ALA A 99 9.382 -14.604 -0.597 1.00 75.23 H new ATOM 0 HB2 ALA A 99 9.247 -13.281 -1.780 1.00 75.23 H new ATOM 0 HB3 ALA A 99 8.458 -13.138 -0.191 1.00 75.23 H new ATOM 1506 N ILE A 100 5.883 -14.688 0.276 1.00 33.11 N ATOM 1507 CA ILE A 100 5.104 -15.383 1.309 1.00 75.00 C ATOM 1508 C ILE A 100 3.845 -16.056 0.718 1.00 41.22 C ATOM 1509 O ILE A 100 2.990 -16.557 1.451 1.00 51.20 O ATOM 1510 CB ILE A 100 4.669 -14.392 2.417 1.00 13.40 C ATOM 1511 CG1 ILE A 100 3.708 -13.350 1.816 1.00 33.33 C ATOM 1512 CG2 ILE A 100 5.891 -13.722 3.049 1.00 34.23 C ATOM 1513 CD1 ILE A 100 3.202 -12.325 2.798 1.00 22.44 C ATOM 0 H ILE A 100 5.679 -13.691 0.201 1.00 33.11 H new ATOM 0 HA ILE A 100 5.748 -16.155 1.731 1.00 75.00 H new ATOM 0 HB ILE A 100 4.150 -14.934 3.207 1.00 13.40 H new ATOM 0 HG12 ILE A 100 4.216 -12.834 1.001 1.00 33.33 H new ATOM 0 HG13 ILE A 100 2.854 -13.870 1.381 1.00 33.33 H new ATOM 0 HG21 ILE A 100 5.565 -13.029 3.825 1.00 34.23 H new ATOM 0 HG22 ILE A 100 6.536 -14.483 3.489 1.00 34.23 H new ATOM 0 HG23 ILE A 100 6.443 -13.176 2.284 1.00 34.23 H new ATOM 0 HD11 ILE A 100 2.532 -11.632 2.288 1.00 22.44 H new ATOM 0 HD12 ILE A 100 2.662 -12.826 3.602 1.00 22.44 H new ATOM 0 HD13 ILE A 100 4.045 -11.774 3.215 1.00 22.44 H new ATOM 1525 N GLY A 101 3.730 -16.047 -0.608 1.00 3.13 N ATOM 1526 CA GLY A 101 2.581 -16.648 -1.279 1.00 32.53 C ATOM 1527 C GLY A 101 1.315 -15.799 -1.198 1.00 24.11 C ATOM 1528 O GLY A 101 0.210 -16.334 -1.125 1.00 3.22 O ATOM 0 H GLY A 101 4.417 -15.631 -1.237 1.00 3.13 H new ATOM 0 HA2 GLY A 101 2.830 -16.816 -2.327 1.00 32.53 H new ATOM 0 HA3 GLY A 101 2.383 -17.625 -0.838 1.00 32.53 H new ATOM 1532 N GLY A 102 1.470 -14.476 -1.181 1.00 50.12 N ATOM 1533 CA GLY A 102 0.318 -13.578 -1.153 1.00 63.53 C ATOM 1534 C GLY A 102 -0.396 -13.461 -2.503 1.00 41.11 C ATOM 1535 O GLY A 102 0.218 -13.661 -3.552 1.00 1.53 O ATOM 0 H GLY A 102 2.375 -14.005 -1.186 1.00 50.12 H new ATOM 0 HA2 GLY A 102 -0.391 -13.932 -0.405 1.00 63.53 H new ATOM 0 HA3 GLY A 102 0.646 -12.588 -0.837 1.00 63.53 H new ATOM 1539 N PRO A 103 -1.707 -13.147 -2.506 1.00 75.43 N ATOM 1540 CA PRO A 103 -2.482 -12.986 -3.751 1.00 51.51 C ATOM 1541 C PRO A 103 -2.173 -11.666 -4.487 1.00 20.24 C ATOM 1542 O PRO A 103 -2.269 -10.577 -3.909 1.00 62.33 O ATOM 1543 CB PRO A 103 -3.934 -13.017 -3.258 1.00 65.41 C ATOM 1544 CG PRO A 103 -3.870 -12.493 -1.860 1.00 31.15 C ATOM 1545 CD PRO A 103 -2.544 -12.950 -1.301 1.00 42.32 C ATOM 0 HA PRO A 103 -2.247 -13.759 -4.483 1.00 51.51 H new ATOM 0 HB2 PRO A 103 -4.578 -12.399 -3.884 1.00 65.41 H new ATOM 0 HB3 PRO A 103 -4.340 -14.028 -3.284 1.00 65.41 H new ATOM 0 HG2 PRO A 103 -3.944 -11.406 -1.848 1.00 31.15 H new ATOM 0 HG3 PRO A 103 -4.697 -12.875 -1.262 1.00 31.15 H new ATOM 0 HD2 PRO A 103 -2.113 -12.206 -0.631 1.00 42.32 H new ATOM 0 HD3 PRO A 103 -2.647 -13.872 -0.729 1.00 42.32 H new ATOM 1553 N THR A 104 -1.799 -11.762 -5.764 1.00 10.54 N ATOM 1554 CA THR A 104 -1.458 -10.572 -6.564 1.00 24.14 C ATOM 1555 C THR A 104 -2.121 -10.574 -7.947 1.00 33.14 C ATOM 1556 O THR A 104 -2.593 -11.602 -8.434 1.00 10.45 O ATOM 1557 CB THR A 104 0.073 -10.432 -6.762 1.00 2.45 C ATOM 1558 OG1 THR A 104 0.616 -11.646 -7.301 1.00 13.10 O ATOM 1559 CG2 THR A 104 0.777 -10.090 -5.452 1.00 2.10 C ATOM 0 H THR A 104 -1.723 -12.645 -6.270 1.00 10.54 H new ATOM 0 HA THR A 104 -1.839 -9.727 -5.991 1.00 24.14 H new ATOM 0 HB THR A 104 0.243 -9.615 -7.463 1.00 2.45 H new ATOM 0 HG1 THR A 104 1.583 -11.546 -7.424 1.00 13.10 H new ATOM 0 HG21 THR A 104 1.849 -9.999 -5.628 1.00 2.10 H new ATOM 0 HG22 THR A 104 0.391 -9.146 -5.067 1.00 2.10 H new ATOM 0 HG23 THR A 104 0.594 -10.880 -4.724 1.00 2.10 H new ATOM 1567 N GLU A 105 -2.133 -9.398 -8.565 1.00 51.12 N ATOM 1568 CA GLU A 105 -2.685 -9.192 -9.911 1.00 21.43 C ATOM 1569 C GLU A 105 -1.733 -8.344 -10.758 1.00 3.32 C ATOM 1570 O GLU A 105 -0.725 -7.839 -10.266 1.00 32.00 O ATOM 1571 CB GLU A 105 -4.044 -8.480 -9.837 1.00 14.32 C ATOM 1572 CG GLU A 105 -5.149 -9.302 -9.197 1.00 32.23 C ATOM 1573 CD GLU A 105 -6.439 -8.512 -9.035 1.00 22.14 C ATOM 1574 OE1 GLU A 105 -7.199 -8.399 -10.019 1.00 43.11 O ATOM 1575 OE2 GLU A 105 -6.690 -7.987 -7.930 1.00 4.55 O ATOM 0 H GLU A 105 -1.757 -8.548 -8.146 1.00 51.12 H new ATOM 0 HA GLU A 105 -2.811 -10.172 -10.370 1.00 21.43 H new ATOM 0 HB2 GLU A 105 -3.925 -7.554 -9.275 1.00 14.32 H new ATOM 0 HB3 GLU A 105 -4.351 -8.204 -10.846 1.00 14.32 H new ATOM 0 HG2 GLU A 105 -5.341 -10.185 -9.807 1.00 32.23 H new ATOM 0 HG3 GLU A 105 -4.817 -9.655 -8.221 1.00 32.23 H new ATOM 1582 N GLY A 106 -2.066 -8.181 -12.028 1.00 55.21 N ATOM 1583 CA GLY A 106 -1.265 -7.336 -12.907 1.00 33.45 C ATOM 1584 C GLY A 106 -1.111 -7.891 -14.317 1.00 62.32 C ATOM 1585 O GLY A 106 -0.978 -9.099 -14.511 1.00 44.52 O ATOM 0 H GLY A 106 -2.875 -8.616 -12.472 1.00 55.21 H new ATOM 0 HA2 GLY A 106 -1.723 -6.348 -12.963 1.00 33.45 H new ATOM 0 HA3 GLY A 106 -0.276 -7.205 -12.468 1.00 33.45 H new ATOM 1589 N ILE A 107 -1.125 -6.994 -15.298 1.00 33.21 N ATOM 1590 CA ILE A 107 -0.940 -7.353 -16.708 1.00 43.21 C ATOM 1591 C ILE A 107 0.358 -8.153 -16.913 1.00 75.54 C ATOM 1592 O ILE A 107 0.356 -9.226 -17.524 1.00 33.12 O ATOM 1593 CB ILE A 107 -0.895 -6.080 -17.594 1.00 43.20 C ATOM 1594 CG1 ILE A 107 -2.143 -5.209 -17.352 1.00 30.53 C ATOM 1595 CG2 ILE A 107 -0.768 -6.446 -19.072 1.00 73.32 C ATOM 1596 CD1 ILE A 107 -2.173 -3.931 -18.169 1.00 34.42 C ATOM 0 H ILE A 107 -1.265 -5.996 -15.142 1.00 33.21 H new ATOM 0 HA ILE A 107 -1.788 -7.972 -17.000 1.00 43.21 H new ATOM 0 HB ILE A 107 -0.013 -5.503 -17.315 1.00 43.20 H new ATOM 0 HG12 ILE A 107 -3.033 -5.796 -17.582 1.00 30.53 H new ATOM 0 HG13 ILE A 107 -2.195 -4.953 -16.294 1.00 30.53 H new ATOM 0 HG21 ILE A 107 -0.739 -5.536 -19.671 1.00 73.32 H new ATOM 0 HG22 ILE A 107 0.149 -7.013 -19.229 1.00 73.32 H new ATOM 0 HG23 ILE A 107 -1.624 -7.050 -19.372 1.00 73.32 H new ATOM 0 HD11 ILE A 107 -3.082 -3.375 -17.941 1.00 34.42 H new ATOM 0 HD12 ILE A 107 -1.304 -3.321 -17.923 1.00 34.42 H new ATOM 0 HD13 ILE A 107 -2.155 -4.177 -19.231 1.00 34.42 H new ATOM 1608 N ILE A 108 1.466 -7.623 -16.397 1.00 73.24 N ATOM 1609 CA ILE A 108 2.759 -8.310 -16.489 1.00 53.31 C ATOM 1610 C ILE A 108 2.867 -9.444 -15.467 1.00 14.41 C ATOM 1611 O ILE A 108 3.382 -10.521 -15.762 1.00 41.31 O ATOM 1612 CB ILE A 108 3.942 -7.319 -16.315 1.00 63.31 C ATOM 1613 CG1 ILE A 108 4.208 -6.546 -17.626 1.00 11.24 C ATOM 1614 CG2 ILE A 108 5.200 -8.043 -15.833 1.00 55.30 C ATOM 1615 CD1 ILE A 108 3.064 -5.652 -18.066 1.00 12.32 C ATOM 0 H ILE A 108 1.498 -6.726 -15.913 1.00 73.24 H new ATOM 0 HA ILE A 108 2.817 -8.743 -17.488 1.00 53.31 H new ATOM 0 HB ILE A 108 3.666 -6.594 -15.549 1.00 63.31 H new ATOM 0 HG12 ILE A 108 5.102 -5.936 -17.499 1.00 11.24 H new ATOM 0 HG13 ILE A 108 4.420 -7.262 -18.420 1.00 11.24 H new ATOM 0 HG21 ILE A 108 6.012 -7.325 -15.720 1.00 55.30 H new ATOM 0 HG22 ILE A 108 5.000 -8.519 -14.873 1.00 55.30 H new ATOM 0 HG23 ILE A 108 5.485 -8.801 -16.562 1.00 55.30 H new ATOM 0 HD11 ILE A 108 3.333 -5.147 -18.994 1.00 12.32 H new ATOM 0 HD12 ILE A 108 2.171 -6.256 -18.228 1.00 12.32 H new ATOM 0 HD13 ILE A 108 2.864 -4.910 -17.293 1.00 12.32 H new