USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 943 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 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 107 THR OG1 : rot 71:sc= 0.964 USER MOD Set 2.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 80 SER OG : rot -140:sc= -0.213 USER MOD Set 3.1: A 68 THR OG1 : rot -96:sc= 0.345 USER MOD Set 3.2: A 69 ASN : amide:sc= -2.6 K(o=-2.3,f=-5.1!) USER MOD Set 4.1: A 36 HIS : no HE2:sc= 0.408 K(o=1.4,f=-3.8) USER MOD Set 4.2: A 39 SER OG : rot 155:sc= 0.818 USER MOD Set 4.3: A 42 SER OG : rot 109:sc= 0.202 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.0537 (180deg=0.0322) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 55:sc= 0.355 USER MOD Single : A 24 THR OG1 : rot 69:sc= 0.161 USER MOD Single : A 26 SER OG : rot -97:sc= 0.045 USER MOD Single : A 27 ASN : amide:sc= -0.284 K(o=-0.28,f=-3.8!) USER MOD Single : A 30 SER OG : rot -88:sc= 0.683 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -2.2 (180deg=-3.52!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 119:sc= -5.04! USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0651 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.36) USER MOD Single : A 83 THR OG1 : rot -51:sc= 0.382 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.071 6.150 -2.732 1.00 31.30 N ATOM 2 CA MET A 1 -0.301 6.076 -3.968 1.00 41.01 C ATOM 3 C MET A 1 -1.186 5.651 -5.136 1.00 22.25 C ATOM 4 O MET A 1 -2.069 4.808 -4.982 1.00 13.12 O ATOM 5 CB MET A 1 0.863 5.095 -3.811 1.00 52.34 C ATOM 6 CG MET A 1 1.672 4.904 -5.084 1.00 3.52 C ATOM 7 SD MET A 1 3.439 4.738 -4.765 1.00 1.13 S ATOM 8 CE MET A 1 4.111 5.864 -5.985 1.00 10.45 C ATOM 0 H1 MET A 1 -0.422 6.222 -1.923 1.00 31.30 H new ATOM 0 H2 MET A 1 -1.688 6.987 -2.757 1.00 31.30 H new ATOM 0 H3 MET A 1 -1.653 5.294 -2.634 1.00 31.30 H new ATOM 0 HA MET A 1 0.096 7.069 -4.179 1.00 41.01 H new ATOM 0 HB2 MET A 1 1.523 5.451 -3.020 1.00 52.34 H new ATOM 0 HB3 MET A 1 0.473 4.129 -3.490 1.00 52.34 H new ATOM 0 HG2 MET A 1 1.316 4.016 -5.606 1.00 3.52 H new ATOM 0 HG3 MET A 1 1.505 5.753 -5.747 1.00 3.52 H new ATOM 0 HE1 MET A 1 5.199 5.872 -5.913 1.00 10.45 H new ATOM 0 HE2 MET A 1 3.816 5.538 -6.982 1.00 10.45 H new ATOM 0 HE3 MET A 1 3.728 6.868 -5.803 1.00 10.45 H new ATOM 18 N ALA A 2 -0.942 6.240 -6.302 1.00 35.41 N ATOM 19 CA ALA A 2 -1.716 5.920 -7.495 1.00 53.01 C ATOM 20 C ALA A 2 -1.702 4.421 -7.774 1.00 23.24 C ATOM 21 O ALA A 2 -1.007 3.661 -7.098 1.00 42.25 O ATOM 22 CB ALA A 2 -1.178 6.687 -8.694 1.00 73.20 C ATOM 0 H ALA A 2 -0.215 6.941 -6.446 1.00 35.41 H new ATOM 0 HA ALA A 2 -2.749 6.220 -7.319 1.00 53.01 H new ATOM 0 HB1 ALA A 2 -1.765 6.439 -9.578 1.00 73.20 H new ATOM 0 HB2 ALA A 2 -1.247 7.758 -8.502 1.00 73.20 H new ATOM 0 HB3 ALA A 2 -0.136 6.415 -8.862 1.00 73.20 H new ATOM 28 N ARG A 3 -2.473 4.001 -8.771 1.00 52.52 N ATOM 29 CA ARG A 3 -2.550 2.592 -9.137 1.00 51.43 C ATOM 30 C ARG A 3 -1.156 2.011 -9.356 1.00 74.22 C ATOM 31 O ARG A 3 -0.183 2.732 -9.574 1.00 1.45 O ATOM 32 CB ARG A 3 -3.392 2.417 -10.403 1.00 1.45 C ATOM 33 CG ARG A 3 -4.867 2.178 -10.124 1.00 61.23 C ATOM 34 CD ARG A 3 -5.588 3.473 -9.786 1.00 5.43 C ATOM 35 NE ARG A 3 -6.088 3.479 -8.414 1.00 30.23 N ATOM 36 CZ ARG A 3 -6.795 4.476 -7.893 1.00 74.54 C ATOM 37 NH1 ARG A 3 -7.084 5.541 -8.627 1.00 53.41 N ATOM 38 NH2 ARG A 3 -7.216 4.407 -6.637 1.00 3.03 N ATOM 0 H ARG A 3 -3.054 4.617 -9.340 1.00 52.52 H new ATOM 0 HA ARG A 3 -3.025 2.054 -8.316 1.00 51.43 H new ATOM 0 HB2 ARG A 3 -3.288 3.306 -11.025 1.00 1.45 H new ATOM 0 HB3 ARG A 3 -2.999 1.578 -10.978 1.00 1.45 H new ATOM 0 HG2 ARG A 3 -5.333 1.718 -10.995 1.00 61.23 H new ATOM 0 HG3 ARG A 3 -4.973 1.475 -9.297 1.00 61.23 H new ATOM 0 HD2 ARG A 3 -4.909 4.314 -9.928 1.00 5.43 H new ATOM 0 HD3 ARG A 3 -6.420 3.615 -10.476 1.00 5.43 H new ATOM 0 HE ARG A 3 -5.883 2.673 -7.823 1.00 30.23 H new ATOM 0 HH11 ARG A 3 -6.764 5.596 -9.594 1.00 53.41 H new ATOM 0 HH12 ARG A 3 -7.627 6.305 -8.225 1.00 53.41 H new ATOM 0 HH21 ARG A 3 -6.997 3.588 -6.070 1.00 3.03 H new ATOM 0 HH22 ARG A 3 -7.759 5.173 -6.238 1.00 3.03 H new ATOM 52 N PRO A 4 -1.057 0.674 -9.297 1.00 43.55 N ATOM 53 CA PRO A 4 0.213 -0.034 -9.487 1.00 12.43 C ATOM 54 C PRO A 4 0.707 0.038 -10.927 1.00 64.14 C ATOM 55 O PRO A 4 0.393 -0.827 -11.745 1.00 52.43 O ATOM 56 CB PRO A 4 -0.127 -1.478 -9.109 1.00 42.40 C ATOM 57 CG PRO A 4 -1.592 -1.598 -9.353 1.00 25.53 C ATOM 58 CD PRO A 4 -2.176 -0.248 -9.042 1.00 63.14 C ATOM 0 HA PRO A 4 1.015 0.400 -8.890 1.00 12.43 H new ATOM 0 HB2 PRO A 4 0.435 -2.189 -9.715 1.00 42.40 H new ATOM 0 HB3 PRO A 4 0.119 -1.683 -8.067 1.00 42.40 H new ATOM 0 HG2 PRO A 4 -1.794 -1.882 -10.386 1.00 25.53 H new ATOM 0 HG3 PRO A 4 -2.031 -2.368 -8.719 1.00 25.53 H new ATOM 0 HD2 PRO A 4 -3.033 -0.025 -9.677 1.00 63.14 H new ATOM 0 HD3 PRO A 4 -2.520 -0.187 -8.009 1.00 63.14 H new ATOM 66 N SER A 5 1.483 1.073 -11.231 1.00 44.41 N ATOM 67 CA SER A 5 2.019 1.259 -12.575 1.00 11.24 C ATOM 68 C SER A 5 3.544 1.275 -12.554 1.00 63.21 C ATOM 69 O SER A 5 4.181 1.871 -13.421 1.00 64.13 O ATOM 70 CB SER A 5 1.492 2.562 -13.181 1.00 24.53 C ATOM 71 OG SER A 5 0.112 2.729 -12.909 1.00 74.35 O ATOM 0 H SER A 5 1.755 1.796 -10.565 1.00 44.41 H new ATOM 0 HA SER A 5 1.690 0.421 -13.190 1.00 11.24 H new ATOM 0 HB2 SER A 5 2.050 3.407 -12.777 1.00 24.53 H new ATOM 0 HB3 SER A 5 1.656 2.558 -14.259 1.00 24.53 H new ATOM 0 HG SER A 5 -0.200 3.569 -13.305 1.00 74.35 H new ATOM 77 N ASN A 6 4.123 0.614 -11.556 1.00 42.54 N ATOM 78 CA ASN A 6 5.574 0.552 -11.421 1.00 50.21 C ATOM 79 C ASN A 6 6.174 1.953 -11.349 1.00 62.00 C ATOM 80 O ASN A 6 5.454 2.951 -11.378 1.00 40.00 O ATOM 81 CB ASN A 6 6.184 -0.216 -12.595 1.00 71.41 C ATOM 82 CG ASN A 6 6.748 -1.560 -12.176 1.00 32.32 C ATOM 83 OD1 ASN A 6 6.064 -2.361 -11.537 1.00 43.23 O ATOM 84 ND2 ASN A 6 8.001 -1.814 -12.534 1.00 2.41 N ATOM 0 H ASN A 6 3.610 0.114 -10.830 1.00 42.54 H new ATOM 0 HA ASN A 6 5.805 0.029 -10.493 1.00 50.21 H new ATOM 0 HB2 ASN A 6 5.424 -0.367 -13.361 1.00 71.41 H new ATOM 0 HB3 ASN A 6 6.976 0.383 -13.045 1.00 71.41 H new ATOM 0 HD21 ASN A 6 8.434 -2.702 -12.280 1.00 2.41 H new ATOM 0 HD22 ASN A 6 8.531 -1.121 -13.063 1.00 2.41 H new ATOM 91 N VAL A 7 7.499 2.019 -11.255 1.00 54.35 N ATOM 92 CA VAL A 7 8.197 3.297 -11.181 1.00 54.21 C ATOM 93 C VAL A 7 9.268 3.402 -12.261 1.00 31.13 C ATOM 94 O VAL A 7 9.439 2.491 -13.072 1.00 3.43 O ATOM 95 CB VAL A 7 8.852 3.499 -9.802 1.00 11.31 C ATOM 96 CG1 VAL A 7 7.801 3.471 -8.702 1.00 64.02 C ATOM 97 CG2 VAL A 7 9.918 2.442 -9.559 1.00 44.02 C ATOM 0 H VAL A 7 8.110 1.203 -11.228 1.00 54.35 H new ATOM 0 HA VAL A 7 7.450 4.075 -11.338 1.00 54.21 H new ATOM 0 HB VAL A 7 9.333 4.477 -9.787 1.00 11.31 H new ATOM 0 HG11 VAL A 7 8.283 3.615 -7.735 1.00 64.02 H new ATOM 0 HG12 VAL A 7 7.077 4.269 -8.870 1.00 64.02 H new ATOM 0 HG13 VAL A 7 7.289 2.509 -8.712 1.00 64.02 H new ATOM 0 HG21 VAL A 7 10.370 2.600 -8.580 1.00 44.02 H new ATOM 0 HG22 VAL A 7 9.463 1.452 -9.593 1.00 44.02 H new ATOM 0 HG23 VAL A 7 10.686 2.515 -10.329 1.00 44.02 H new ATOM 107 N LYS A 8 9.988 4.519 -12.266 1.00 30.54 N ATOM 108 CA LYS A 8 11.045 4.744 -13.244 1.00 61.52 C ATOM 109 C LYS A 8 12.355 5.110 -12.555 1.00 5.40 C ATOM 110 O LYS A 8 12.376 5.583 -11.418 1.00 72.13 O ATOM 111 CB LYS A 8 10.640 5.853 -14.217 1.00 1.40 C ATOM 112 CG LYS A 8 9.963 7.035 -13.544 1.00 75.51 C ATOM 113 CD LYS A 8 8.449 6.928 -13.623 1.00 32.14 C ATOM 114 CE LYS A 8 7.792 8.299 -13.599 1.00 55.33 C ATOM 115 NZ LYS A 8 7.209 8.613 -12.265 1.00 61.30 N ATOM 0 H LYS A 8 9.858 5.283 -11.603 1.00 30.54 H new ATOM 0 HA LYS A 8 11.194 3.818 -13.800 1.00 61.52 H new ATOM 0 HB2 LYS A 8 11.527 6.205 -14.744 1.00 1.40 H new ATOM 0 HB3 LYS A 8 9.967 5.439 -14.968 1.00 1.40 H new ATOM 0 HG2 LYS A 8 10.271 7.086 -12.500 1.00 75.51 H new ATOM 0 HG3 LYS A 8 10.289 7.961 -14.018 1.00 75.51 H new ATOM 0 HD2 LYS A 8 8.167 6.404 -14.536 1.00 32.14 H new ATOM 0 HD3 LYS A 8 8.081 6.332 -12.788 1.00 32.14 H new ATOM 0 HE2 LYS A 8 8.528 9.059 -13.861 1.00 55.33 H new ATOM 0 HE3 LYS A 8 7.009 8.339 -14.356 1.00 55.33 H new ATOM 0 HZ1 LYS A 8 6.771 9.556 -12.291 1.00 61.30 H new ATOM 0 HZ2 LYS A 8 6.488 7.903 -12.025 1.00 61.30 H new ATOM 0 HZ3 LYS A 8 7.960 8.600 -11.546 1.00 61.30 H new ATOM 129 N PRO A 9 13.477 4.890 -13.258 1.00 14.14 N ATOM 130 CA PRO A 9 14.812 5.193 -12.733 1.00 73.52 C ATOM 131 C PRO A 9 15.063 6.692 -12.617 1.00 13.13 C ATOM 132 O PRO A 9 16.000 7.124 -11.945 1.00 73.12 O ATOM 133 CB PRO A 9 15.750 4.573 -13.772 1.00 74.40 C ATOM 134 CG PRO A 9 14.956 4.549 -15.033 1.00 31.34 C ATOM 135 CD PRO A 9 13.527 4.329 -14.618 1.00 42.22 C ATOM 0 HA PRO A 9 14.952 4.803 -11.725 1.00 73.52 H new ATOM 0 HB2 PRO A 9 16.659 5.164 -13.888 1.00 74.40 H new ATOM 0 HB3 PRO A 9 16.058 3.569 -13.479 1.00 74.40 H new ATOM 0 HG2 PRO A 9 15.064 5.486 -15.580 1.00 31.34 H new ATOM 0 HG3 PRO A 9 15.297 3.753 -15.694 1.00 31.34 H new ATOM 0 HD2 PRO A 9 12.832 4.835 -15.287 1.00 42.22 H new ATOM 0 HD3 PRO A 9 13.264 3.271 -14.626 1.00 42.22 H new ATOM 143 N SER A 10 14.219 7.481 -13.274 1.00 44.53 N ATOM 144 CA SER A 10 14.352 8.933 -13.247 1.00 2.42 C ATOM 145 C SER A 10 14.438 9.444 -11.812 1.00 25.13 C ATOM 146 O SER A 10 14.052 8.765 -10.860 1.00 11.31 O ATOM 147 CB SER A 10 13.170 9.589 -13.963 1.00 33.50 C ATOM 148 OG SER A 10 13.505 9.926 -15.298 1.00 21.31 O ATOM 0 H SER A 10 13.436 7.139 -13.831 1.00 44.53 H new ATOM 0 HA SER A 10 15.274 9.198 -13.765 1.00 2.42 H new ATOM 0 HB2 SER A 10 12.317 8.911 -13.959 1.00 33.50 H new ATOM 0 HB3 SER A 10 12.867 10.486 -13.423 1.00 33.50 H new ATOM 0 HG SER A 10 12.732 10.342 -15.734 1.00 21.31 H new ATOM 154 N PRO A 11 14.958 10.670 -11.651 1.00 21.00 N ATOM 155 CA PRO A 11 15.108 11.300 -10.336 1.00 15.30 C ATOM 156 C PRO A 11 13.766 11.682 -9.720 1.00 73.41 C ATOM 157 O PRO A 11 12.973 12.401 -10.330 1.00 24.34 O ATOM 158 CB PRO A 11 15.934 12.554 -10.635 1.00 71.52 C ATOM 159 CG PRO A 11 15.650 12.862 -12.065 1.00 1.13 C ATOM 160 CD PRO A 11 15.439 11.536 -12.741 1.00 24.53 C ATOM 0 HA PRO A 11 15.572 10.629 -9.614 1.00 15.30 H new ATOM 0 HB2 PRO A 11 15.646 13.382 -9.987 1.00 71.52 H new ATOM 0 HB3 PRO A 11 16.997 12.376 -10.472 1.00 71.52 H new ATOM 0 HG2 PRO A 11 14.766 13.493 -12.160 1.00 1.13 H new ATOM 0 HG3 PRO A 11 16.479 13.404 -12.519 1.00 1.13 H new ATOM 0 HD2 PRO A 11 14.710 11.608 -13.548 1.00 24.53 H new ATOM 0 HD3 PRO A 11 16.363 11.156 -13.178 1.00 24.53 H new ATOM 168 N HIS A 12 13.517 11.196 -8.508 1.00 74.31 N ATOM 169 CA HIS A 12 12.270 11.487 -7.809 1.00 70.11 C ATOM 170 C HIS A 12 12.487 12.541 -6.728 1.00 10.23 C ATOM 171 O HIS A 12 13.386 12.416 -5.896 1.00 11.21 O ATOM 172 CB HIS A 12 11.699 10.212 -7.187 1.00 63.14 C ATOM 173 CG HIS A 12 10.618 9.578 -8.007 1.00 61.13 C ATOM 174 ND1 HIS A 12 10.758 8.348 -8.615 1.00 34.11 N ATOM 175 CD2 HIS A 12 9.373 10.010 -8.317 1.00 23.20 C ATOM 176 CE1 HIS A 12 9.646 8.052 -9.264 1.00 61.44 C ATOM 177 NE2 HIS A 12 8.790 9.044 -9.099 1.00 72.41 N ATOM 0 H HIS A 12 14.162 10.599 -7.990 1.00 74.31 H new ATOM 0 HA HIS A 12 11.558 11.878 -8.536 1.00 70.11 H new ATOM 0 HB2 HIS A 12 12.506 9.493 -7.047 1.00 63.14 H new ATOM 0 HB3 HIS A 12 11.304 10.445 -6.198 1.00 63.14 H new ATOM 0 HD2 HIS A 12 8.922 10.941 -8.007 1.00 23.20 H new ATOM 0 HE1 HIS A 12 9.467 7.152 -9.833 1.00 61.44 H new ATOM 0 HE2 HIS A 12 7.849 9.086 -9.489 1.00 72.41 H new ATOM 185 N VAL A 13 11.658 13.580 -6.746 1.00 40.21 N ATOM 186 CA VAL A 13 11.759 14.656 -5.767 1.00 50.13 C ATOM 187 C VAL A 13 10.500 14.741 -4.912 1.00 72.10 C ATOM 188 O VAL A 13 9.391 14.520 -5.399 1.00 54.41 O ATOM 189 CB VAL A 13 11.995 16.016 -6.451 1.00 12.24 C ATOM 190 CG1 VAL A 13 12.091 17.125 -5.414 1.00 52.20 C ATOM 191 CG2 VAL A 13 13.248 15.969 -7.311 1.00 44.41 C ATOM 0 H VAL A 13 10.909 13.699 -7.428 1.00 40.21 H new ATOM 0 HA VAL A 13 12.612 14.425 -5.129 1.00 50.13 H new ATOM 0 HB VAL A 13 11.145 16.230 -7.099 1.00 12.24 H new ATOM 0 HG11 VAL A 13 12.258 18.078 -5.915 1.00 52.20 H new ATOM 0 HG12 VAL A 13 11.163 17.172 -4.844 1.00 52.20 H new ATOM 0 HG13 VAL A 13 12.921 16.920 -4.738 1.00 52.20 H new ATOM 0 HG21 VAL A 13 13.399 16.938 -7.787 1.00 44.41 H new ATOM 0 HG22 VAL A 13 14.109 15.733 -6.686 1.00 44.41 H new ATOM 0 HG23 VAL A 13 13.135 15.202 -8.077 1.00 44.41 H new ATOM 201 N ILE A 14 10.679 15.062 -3.635 1.00 41.23 N ATOM 202 CA ILE A 14 9.557 15.178 -2.712 1.00 72.24 C ATOM 203 C ILE A 14 9.453 16.590 -2.147 1.00 3.21 C ATOM 204 O ILE A 14 10.281 17.452 -2.443 1.00 63.01 O ATOM 205 CB ILE A 14 9.681 14.178 -1.547 1.00 52.32 C ATOM 206 CG1 ILE A 14 11.146 14.022 -1.135 1.00 31.43 C ATOM 207 CG2 ILE A 14 9.088 12.833 -1.938 1.00 62.23 C ATOM 208 CD1 ILE A 14 11.793 15.318 -0.698 1.00 74.51 C ATOM 0 H ILE A 14 11.591 15.246 -3.216 1.00 41.23 H new ATOM 0 HA ILE A 14 8.656 14.950 -3.281 1.00 72.24 H new ATOM 0 HB ILE A 14 9.123 14.564 -0.694 1.00 52.32 H new ATOM 0 HG12 ILE A 14 11.211 13.300 -0.321 1.00 31.43 H new ATOM 0 HG13 ILE A 14 11.708 13.609 -1.972 1.00 31.43 H new ATOM 0 HG21 ILE A 14 9.183 12.137 -1.104 1.00 62.23 H new ATOM 0 HG22 ILE A 14 8.034 12.959 -2.187 1.00 62.23 H new ATOM 0 HG23 ILE A 14 9.621 12.438 -2.803 1.00 62.23 H new ATOM 0 HD11 ILE A 14 12.830 15.131 -0.420 1.00 74.51 H new ATOM 0 HD12 ILE A 14 11.760 16.036 -1.518 1.00 74.51 H new ATOM 0 HD13 ILE A 14 11.255 15.722 0.160 1.00 74.51 H new ATOM 220 N LYS A 15 8.432 16.821 -1.329 1.00 73.23 N ATOM 221 CA LYS A 15 8.220 18.128 -0.718 1.00 71.33 C ATOM 222 C LYS A 15 7.317 18.016 0.506 1.00 53.12 C ATOM 223 O LYS A 15 6.512 18.907 0.778 1.00 31.33 O ATOM 224 CB LYS A 15 7.605 19.094 -1.733 1.00 13.22 C ATOM 225 CG LYS A 15 6.243 18.656 -2.242 1.00 73.42 C ATOM 226 CD LYS A 15 6.351 17.936 -3.576 1.00 24.31 C ATOM 227 CE LYS A 15 5.010 17.882 -4.291 1.00 43.14 C ATOM 228 NZ LYS A 15 4.784 16.564 -4.947 1.00 14.32 N ATOM 0 H LYS A 15 7.737 16.119 -1.073 1.00 73.23 H new ATOM 0 HA LYS A 15 9.188 18.514 -0.399 1.00 71.33 H new ATOM 0 HB2 LYS A 15 7.513 20.079 -1.275 1.00 13.22 H new ATOM 0 HB3 LYS A 15 8.283 19.199 -2.580 1.00 13.22 H new ATOM 0 HG2 LYS A 15 5.774 17.999 -1.510 1.00 73.42 H new ATOM 0 HG3 LYS A 15 5.596 19.527 -2.349 1.00 73.42 H new ATOM 0 HD2 LYS A 15 7.080 18.444 -4.207 1.00 24.31 H new ATOM 0 HD3 LYS A 15 6.720 16.923 -3.415 1.00 24.31 H new ATOM 0 HE2 LYS A 15 4.209 18.074 -3.577 1.00 43.14 H new ATOM 0 HE3 LYS A 15 4.966 18.673 -5.040 1.00 43.14 H new ATOM 0 HZ1 LYS A 15 3.860 16.567 -5.423 1.00 14.32 H new ATOM 0 HZ2 LYS A 15 5.534 16.392 -5.647 1.00 14.32 H new ATOM 0 HZ3 LYS A 15 4.801 15.812 -4.229 1.00 14.32 H new ATOM 242 N SER A 16 7.457 16.918 1.241 1.00 72.52 N ATOM 243 CA SER A 16 6.652 16.689 2.435 1.00 73.11 C ATOM 244 C SER A 16 7.111 15.432 3.168 1.00 43.14 C ATOM 245 O SER A 16 7.764 14.564 2.586 1.00 31.05 O ATOM 246 CB SER A 16 5.173 16.564 2.062 1.00 21.25 C ATOM 247 OG SER A 16 4.458 17.737 2.411 1.00 64.13 O ATOM 0 H SER A 16 8.121 16.173 1.031 1.00 72.52 H new ATOM 0 HA SER A 16 6.782 17.543 3.099 1.00 73.11 H new ATOM 0 HB2 SER A 16 5.079 16.382 0.991 1.00 21.25 H new ATOM 0 HB3 SER A 16 4.738 15.704 2.571 1.00 21.25 H new ATOM 0 HG SER A 16 4.886 18.516 1.998 1.00 64.13 H new ATOM 253 N LEU A 17 6.766 15.342 4.447 1.00 24.33 N ATOM 254 CA LEU A 17 7.143 14.191 5.262 1.00 53.43 C ATOM 255 C LEU A 17 6.402 12.938 4.808 1.00 31.55 C ATOM 256 O LEU A 17 7.017 11.909 4.530 1.00 71.11 O ATOM 257 CB LEU A 17 6.847 14.467 6.737 1.00 53.31 C ATOM 258 CG LEU A 17 7.842 13.886 7.741 1.00 3.24 C ATOM 259 CD1 LEU A 17 9.238 14.435 7.489 1.00 52.43 C ATOM 260 CD2 LEU A 17 7.399 14.186 9.166 1.00 61.10 C ATOM 0 H LEU A 17 6.226 16.051 4.943 1.00 24.33 H new ATOM 0 HA LEU A 17 8.213 14.023 5.138 1.00 53.43 H new ATOM 0 HB2 LEU A 17 6.803 15.546 6.882 1.00 53.31 H new ATOM 0 HB3 LEU A 17 5.857 14.074 6.968 1.00 53.31 H new ATOM 0 HG LEU A 17 7.870 12.804 7.610 1.00 3.24 H new ATOM 0 HD11 LEU A 17 9.932 14.010 8.214 1.00 52.43 H new ATOM 0 HD12 LEU A 17 9.557 14.169 6.481 1.00 52.43 H new ATOM 0 HD13 LEU A 17 9.226 15.520 7.591 1.00 52.43 H new ATOM 0 HD21 LEU A 17 8.119 13.765 9.867 1.00 61.10 H new ATOM 0 HD22 LEU A 17 7.341 15.265 9.310 1.00 61.10 H new ATOM 0 HD23 LEU A 17 6.419 13.743 9.343 1.00 61.10 H new ATOM 272 N GLU A 18 5.078 13.032 4.735 1.00 11.54 N ATOM 273 CA GLU A 18 4.254 11.906 4.314 1.00 30.53 C ATOM 274 C GLU A 18 4.751 11.333 2.990 1.00 51.22 C ATOM 275 O GLU A 18 4.881 10.119 2.837 1.00 2.20 O ATOM 276 CB GLU A 18 2.792 12.336 4.180 1.00 51.12 C ATOM 277 CG GLU A 18 1.924 11.918 5.354 1.00 34.44 C ATOM 278 CD GLU A 18 1.028 13.038 5.847 1.00 44.14 C ATOM 279 OE1 GLU A 18 -0.174 12.782 6.069 1.00 24.03 O ATOM 280 OE2 GLU A 18 1.529 14.170 6.009 1.00 51.52 O ATOM 0 H GLU A 18 4.553 13.877 4.962 1.00 11.54 H new ATOM 0 HA GLU A 18 4.328 11.130 5.076 1.00 30.53 H new ATOM 0 HB2 GLU A 18 2.749 13.420 4.075 1.00 51.12 H new ATOM 0 HB3 GLU A 18 2.380 11.911 3.265 1.00 51.12 H new ATOM 0 HG2 GLU A 18 1.308 11.068 5.061 1.00 34.44 H new ATOM 0 HG3 GLU A 18 2.562 11.582 6.171 1.00 34.44 H new ATOM 287 N GLU A 19 5.026 12.217 2.036 1.00 52.22 N ATOM 288 CA GLU A 19 5.507 11.800 0.724 1.00 32.21 C ATOM 289 C GLU A 19 6.692 10.848 0.857 1.00 44.32 C ATOM 290 O GLU A 19 6.848 9.918 0.065 1.00 63.13 O ATOM 291 CB GLU A 19 5.908 13.019 -0.108 1.00 42.34 C ATOM 292 CG GLU A 19 5.867 12.774 -1.607 1.00 75.52 C ATOM 293 CD GLU A 19 4.485 12.385 -2.097 1.00 12.25 C ATOM 294 OE1 GLU A 19 3.582 13.248 -2.070 1.00 5.42 O ATOM 295 OE2 GLU A 19 4.306 11.219 -2.506 1.00 15.24 O ATOM 0 H GLU A 19 4.924 13.226 2.147 1.00 52.22 H new ATOM 0 HA GLU A 19 4.697 11.275 0.218 1.00 32.21 H new ATOM 0 HB2 GLU A 19 5.243 13.848 0.134 1.00 42.34 H new ATOM 0 HB3 GLU A 19 6.915 13.325 0.174 1.00 42.34 H new ATOM 0 HG2 GLU A 19 6.193 13.674 -2.128 1.00 75.52 H new ATOM 0 HG3 GLU A 19 6.574 11.985 -1.862 1.00 75.52 H new ATOM 302 N LEU A 20 7.526 11.088 1.863 1.00 40.31 N ATOM 303 CA LEU A 20 8.699 10.254 2.101 1.00 72.25 C ATOM 304 C LEU A 20 8.290 8.854 2.549 1.00 54.35 C ATOM 305 O LEU A 20 8.543 7.870 1.853 1.00 3.45 O ATOM 306 CB LEU A 20 9.601 10.896 3.156 1.00 52.12 C ATOM 307 CG LEU A 20 11.103 10.846 2.875 1.00 1.20 C ATOM 308 CD1 LEU A 20 11.483 11.873 1.819 1.00 22.52 C ATOM 309 CD2 LEU A 20 11.893 11.077 4.155 1.00 11.50 C ATOM 0 H LEU A 20 7.412 11.854 2.527 1.00 40.31 H new ATOM 0 HA LEU A 20 9.250 10.170 1.164 1.00 72.25 H new ATOM 0 HB2 LEU A 20 9.307 11.940 3.270 1.00 52.12 H new ATOM 0 HB3 LEU A 20 9.414 10.406 4.112 1.00 52.12 H new ATOM 0 HG LEU A 20 11.349 9.855 2.494 1.00 1.20 H new ATOM 0 HD11 LEU A 20 12.556 11.823 1.632 1.00 22.52 H new ATOM 0 HD12 LEU A 20 10.943 11.662 0.896 1.00 22.52 H new ATOM 0 HD13 LEU A 20 11.222 12.871 2.172 1.00 22.52 H new ATOM 0 HD21 LEU A 20 12.960 11.038 3.936 1.00 11.50 H new ATOM 0 HD22 LEU A 20 11.642 12.055 4.566 1.00 11.50 H new ATOM 0 HD23 LEU A 20 11.643 10.304 4.881 1.00 11.50 H new ATOM 321 N ARG A 21 7.653 8.774 3.713 1.00 64.34 N ATOM 322 CA ARG A 21 7.208 7.495 4.253 1.00 70.12 C ATOM 323 C ARG A 21 6.310 6.767 3.256 1.00 23.15 C ATOM 324 O ARG A 21 6.203 5.541 3.284 1.00 43.41 O ATOM 325 CB ARG A 21 6.459 7.706 5.570 1.00 4.40 C ATOM 326 CG ARG A 21 7.298 7.407 6.802 1.00 40.41 C ATOM 327 CD ARG A 21 6.495 7.592 8.080 1.00 24.43 C ATOM 328 NE ARG A 21 6.015 8.962 8.232 1.00 11.42 N ATOM 329 CZ ARG A 21 5.162 9.342 9.177 1.00 34.40 C ATOM 330 NH1 ARG A 21 4.698 8.458 10.050 1.00 73.45 N ATOM 331 NH2 ARG A 21 4.771 10.608 9.251 1.00 60.53 N ATOM 0 H ARG A 21 7.434 9.579 4.300 1.00 64.34 H new ATOM 0 HA ARG A 21 8.089 6.881 4.438 1.00 70.12 H new ATOM 0 HB2 ARG A 21 6.111 8.738 5.619 1.00 4.40 H new ATOM 0 HB3 ARG A 21 5.574 7.070 5.581 1.00 4.40 H new ATOM 0 HG2 ARG A 21 7.671 6.384 6.750 1.00 40.41 H new ATOM 0 HG3 ARG A 21 8.168 8.063 6.819 1.00 40.41 H new ATOM 0 HD2 ARG A 21 5.646 6.909 8.076 1.00 24.43 H new ATOM 0 HD3 ARG A 21 7.113 7.327 8.938 1.00 24.43 H new ATOM 0 HE ARG A 21 6.353 9.667 7.576 1.00 11.42 H new ATOM 0 HH11 ARG A 21 4.996 7.484 9.997 1.00 73.45 H new ATOM 0 HH12 ARG A 21 4.043 8.752 10.775 1.00 73.45 H new ATOM 0 HH21 ARG A 21 5.125 11.291 8.582 1.00 60.53 H new ATOM 0 HH22 ARG A 21 4.116 10.898 9.977 1.00 60.53 H new ATOM 345 N GLU A 22 5.667 7.531 2.379 1.00 64.12 N ATOM 346 CA GLU A 22 4.778 6.958 1.375 1.00 21.13 C ATOM 347 C GLU A 22 5.576 6.339 0.231 1.00 20.44 C ATOM 348 O GLU A 22 5.342 5.194 -0.154 1.00 21.51 O ATOM 349 CB GLU A 22 3.831 8.029 0.830 1.00 60.32 C ATOM 350 CG GLU A 22 2.736 7.474 -0.065 1.00 72.24 C ATOM 351 CD GLU A 22 1.565 6.918 0.722 1.00 61.44 C ATOM 352 OE1 GLU A 22 0.614 6.411 0.090 1.00 21.43 O ATOM 353 OE2 GLU A 22 1.599 6.989 1.968 1.00 44.33 O ATOM 0 H GLU A 22 5.745 8.547 2.343 1.00 64.12 H new ATOM 0 HA GLU A 22 4.191 6.173 1.852 1.00 21.13 H new ATOM 0 HB2 GLU A 22 3.373 8.556 1.666 1.00 60.32 H new ATOM 0 HB3 GLU A 22 4.410 8.763 0.269 1.00 60.32 H new ATOM 0 HG2 GLU A 22 2.381 8.262 -0.730 1.00 72.24 H new ATOM 0 HG3 GLU A 22 3.151 6.688 -0.696 1.00 72.24 H new ATOM 360 N ALA A 23 6.519 7.105 -0.307 1.00 72.14 N ATOM 361 CA ALA A 23 7.352 6.632 -1.406 1.00 4.03 C ATOM 362 C ALA A 23 8.123 5.377 -1.009 1.00 54.04 C ATOM 363 O ALA A 23 8.499 4.571 -1.861 1.00 54.13 O ATOM 364 CB ALA A 23 8.313 7.726 -1.848 1.00 22.23 C ATOM 0 H ALA A 23 6.725 8.056 0.000 1.00 72.14 H new ATOM 0 HA ALA A 23 6.699 6.377 -2.241 1.00 4.03 H new ATOM 0 HB1 ALA A 23 8.929 7.359 -2.669 1.00 22.23 H new ATOM 0 HB2 ALA A 23 7.746 8.596 -2.180 1.00 22.23 H new ATOM 0 HB3 ALA A 23 8.953 8.008 -1.012 1.00 22.23 H new ATOM 370 N THR A 24 8.356 5.217 0.290 1.00 73.43 N ATOM 371 CA THR A 24 9.083 4.061 0.799 1.00 71.23 C ATOM 372 C THR A 24 8.218 2.806 0.760 1.00 13.33 C ATOM 373 O THR A 24 8.730 1.688 0.744 1.00 23.32 O ATOM 374 CB THR A 24 9.567 4.293 2.242 1.00 30.25 C ATOM 375 OG1 THR A 24 8.769 5.303 2.870 1.00 25.02 O ATOM 376 CG2 THR A 24 11.030 4.709 2.262 1.00 11.34 C ATOM 0 H THR A 24 8.052 5.874 1.009 1.00 73.43 H new ATOM 0 HA THR A 24 9.949 3.922 0.151 1.00 71.23 H new ATOM 0 HB THR A 24 9.465 3.357 2.791 1.00 30.25 H new ATOM 0 HG1 THR A 24 7.865 4.958 3.022 1.00 25.02 H new ATOM 0 HG21 THR A 24 11.349 4.867 3.292 1.00 11.34 H new ATOM 0 HG22 THR A 24 11.637 3.925 1.810 1.00 11.34 H new ATOM 0 HG23 THR A 24 11.153 5.634 1.698 1.00 11.34 H new ATOM 384 N ALA A 25 6.903 3.000 0.745 1.00 10.11 N ATOM 385 CA ALA A 25 5.967 1.884 0.706 1.00 73.34 C ATOM 386 C ALA A 25 6.126 1.079 -0.580 1.00 22.54 C ATOM 387 O ALA A 25 5.709 -0.077 -0.655 1.00 62.21 O ATOM 388 CB ALA A 25 4.538 2.388 0.841 1.00 53.33 C ATOM 0 H ALA A 25 6.462 3.920 0.759 1.00 10.11 H new ATOM 0 HA ALA A 25 6.190 1.226 1.546 1.00 73.34 H new ATOM 0 HB1 ALA A 25 3.850 1.543 0.810 1.00 53.33 H new ATOM 0 HB2 ALA A 25 4.426 2.913 1.789 1.00 53.33 H new ATOM 0 HB3 ALA A 25 4.313 3.069 0.020 1.00 53.33 H new ATOM 394 N SER A 26 6.732 1.697 -1.589 1.00 35.15 N ATOM 395 CA SER A 26 6.942 1.039 -2.873 1.00 32.23 C ATOM 396 C SER A 26 7.614 -0.318 -2.684 1.00 42.32 C ATOM 397 O SER A 26 8.410 -0.506 -1.765 1.00 12.20 O ATOM 398 CB SER A 26 7.794 1.920 -3.788 1.00 12.31 C ATOM 399 OG SER A 26 9.154 1.904 -3.390 1.00 71.55 O ATOM 0 H SER A 26 7.086 2.652 -1.542 1.00 35.15 H new ATOM 0 HA SER A 26 5.968 0.881 -3.337 1.00 32.23 H new ATOM 0 HB2 SER A 26 7.709 1.570 -4.817 1.00 12.31 H new ATOM 0 HB3 SER A 26 7.418 2.943 -3.767 1.00 12.31 H new ATOM 0 HG SER A 26 9.340 2.686 -2.830 1.00 71.55 H new ATOM 405 N ASN A 27 7.288 -1.260 -3.563 1.00 35.14 N ATOM 406 CA ASN A 27 7.859 -2.600 -3.494 1.00 33.33 C ATOM 407 C ASN A 27 9.089 -2.714 -4.389 1.00 11.11 C ATOM 408 O ASN A 27 9.288 -3.725 -5.062 1.00 72.23 O ATOM 409 CB ASN A 27 6.817 -3.643 -3.905 1.00 1.14 C ATOM 410 CG ASN A 27 6.525 -3.613 -5.392 1.00 72.13 C ATOM 411 OD1 ASN A 27 6.573 -2.558 -6.025 1.00 14.14 O ATOM 412 ND2 ASN A 27 6.220 -4.775 -5.959 1.00 12.14 N ATOM 0 H ASN A 27 6.632 -1.120 -4.331 1.00 35.14 H new ATOM 0 HA ASN A 27 8.163 -2.786 -2.464 1.00 33.33 H new ATOM 0 HB2 ASN A 27 7.171 -4.636 -3.627 1.00 1.14 H new ATOM 0 HB3 ASN A 27 5.894 -3.468 -3.353 1.00 1.14 H new ATOM 0 HD21 ASN A 27 6.014 -4.817 -6.957 1.00 12.14 H new ATOM 0 HD22 ASN A 27 6.192 -5.625 -5.396 1.00 12.14 H new ATOM 419 N ARG A 28 9.911 -1.670 -4.390 1.00 64.04 N ATOM 420 CA ARG A 28 11.122 -1.652 -5.203 1.00 32.22 C ATOM 421 C ARG A 28 12.319 -1.178 -4.384 1.00 40.43 C ATOM 422 O ARG A 28 12.237 -1.053 -3.162 1.00 43.30 O ATOM 423 CB ARG A 28 10.931 -0.746 -6.420 1.00 42.42 C ATOM 424 CG ARG A 28 9.680 -1.060 -7.224 1.00 62.40 C ATOM 425 CD ARG A 28 10.004 -1.290 -8.692 1.00 24.21 C ATOM 426 NE ARG A 28 10.113 -2.711 -9.012 1.00 40.15 N ATOM 427 CZ ARG A 28 9.066 -3.519 -9.133 1.00 31.31 C ATOM 428 NH1 ARG A 28 7.838 -3.049 -8.961 1.00 21.34 N ATOM 429 NH2 ARG A 28 9.246 -4.801 -9.427 1.00 13.33 N ATOM 0 H ARG A 28 9.761 -0.826 -3.837 1.00 64.04 H new ATOM 0 HA ARG A 28 11.317 -2.669 -5.543 1.00 32.22 H new ATOM 0 HB2 ARG A 28 10.888 0.291 -6.087 1.00 42.42 H new ATOM 0 HB3 ARG A 28 11.802 -0.836 -7.069 1.00 42.42 H new ATOM 0 HG2 ARG A 28 9.196 -1.946 -6.814 1.00 62.40 H new ATOM 0 HG3 ARG A 28 8.971 -0.238 -7.131 1.00 62.40 H new ATOM 0 HD2 ARG A 28 9.228 -0.838 -9.310 1.00 24.21 H new ATOM 0 HD3 ARG A 28 10.940 -0.790 -8.939 1.00 24.21 H new ATOM 0 HE ARG A 28 11.044 -3.104 -9.150 1.00 40.15 H new ATOM 0 HH11 ARG A 28 7.696 -2.065 -8.735 1.00 21.34 H new ATOM 0 HH12 ARG A 28 7.036 -3.672 -9.055 1.00 21.34 H new ATOM 0 HH21 ARG A 28 10.189 -5.166 -9.560 1.00 13.33 H new ATOM 0 HH22 ARG A 28 8.441 -5.421 -9.520 1.00 13.33 H new ATOM 443 N ILE A 29 13.429 -0.916 -5.066 1.00 51.33 N ATOM 444 CA ILE A 29 14.642 -0.455 -4.402 1.00 51.35 C ATOM 445 C ILE A 29 14.964 0.986 -4.785 1.00 65.32 C ATOM 446 O ILE A 29 15.447 1.253 -5.885 1.00 44.24 O ATOM 447 CB ILE A 29 15.847 -1.348 -4.749 1.00 25.33 C ATOM 448 CG1 ILE A 29 15.485 -2.824 -4.569 1.00 54.20 C ATOM 449 CG2 ILE A 29 17.044 -0.982 -3.883 1.00 70.23 C ATOM 450 CD1 ILE A 29 15.079 -3.507 -5.856 1.00 64.51 C ATOM 0 H ILE A 29 13.513 -1.015 -6.078 1.00 51.33 H new ATOM 0 HA ILE A 29 14.456 -0.511 -3.329 1.00 51.35 H new ATOM 0 HB ILE A 29 16.114 -1.183 -5.793 1.00 25.33 H new ATOM 0 HG12 ILE A 29 16.339 -3.350 -4.142 1.00 54.20 H new ATOM 0 HG13 ILE A 29 14.669 -2.905 -3.851 1.00 54.20 H new ATOM 0 HG21 ILE A 29 17.888 -1.622 -4.140 1.00 70.23 H new ATOM 0 HG22 ILE A 29 17.313 0.060 -4.056 1.00 70.23 H new ATOM 0 HG23 ILE A 29 16.789 -1.122 -2.832 1.00 70.23 H new ATOM 0 HD11 ILE A 29 14.836 -4.550 -5.653 1.00 64.51 H new ATOM 0 HD12 ILE A 29 14.206 -3.006 -6.274 1.00 64.51 H new ATOM 0 HD13 ILE A 29 15.902 -3.458 -6.569 1.00 64.51 H new ATOM 462 N SER A 30 14.696 1.910 -3.869 1.00 12.23 N ATOM 463 CA SER A 30 14.956 3.325 -4.111 1.00 35.55 C ATOM 464 C SER A 30 16.156 3.803 -3.299 1.00 72.12 C ATOM 465 O SER A 30 16.375 3.358 -2.172 1.00 40.43 O ATOM 466 CB SER A 30 13.722 4.159 -3.758 1.00 64.24 C ATOM 467 OG SER A 30 12.693 3.977 -4.716 1.00 5.23 O ATOM 0 H SER A 30 14.299 1.705 -2.952 1.00 12.23 H new ATOM 0 HA SER A 30 15.182 3.452 -5.170 1.00 35.55 H new ATOM 0 HB2 SER A 30 13.358 3.876 -2.770 1.00 64.24 H new ATOM 0 HB3 SER A 30 13.994 5.213 -3.707 1.00 64.24 H new ATOM 0 HG SER A 30 12.806 4.623 -5.445 1.00 5.23 H new ATOM 473 N VAL A 31 16.931 4.713 -3.881 1.00 71.41 N ATOM 474 CA VAL A 31 18.109 5.253 -3.213 1.00 52.33 C ATOM 475 C VAL A 31 17.814 6.616 -2.597 1.00 41.33 C ATOM 476 O VAL A 31 17.909 7.645 -3.268 1.00 13.05 O ATOM 477 CB VAL A 31 19.294 5.388 -4.188 1.00 21.14 C ATOM 478 CG1 VAL A 31 20.520 5.926 -3.466 1.00 23.31 C ATOM 479 CG2 VAL A 31 19.597 4.050 -4.846 1.00 14.30 C ATOM 0 H VAL A 31 16.764 5.091 -4.813 1.00 71.41 H new ATOM 0 HA VAL A 31 18.376 4.551 -2.423 1.00 52.33 H new ATOM 0 HB VAL A 31 19.021 6.098 -4.969 1.00 21.14 H new ATOM 0 HG11 VAL A 31 21.347 6.015 -4.170 1.00 23.31 H new ATOM 0 HG12 VAL A 31 20.294 6.906 -3.046 1.00 23.31 H new ATOM 0 HG13 VAL A 31 20.798 5.243 -2.663 1.00 23.31 H new ATOM 0 HG21 VAL A 31 20.437 4.164 -5.532 1.00 14.30 H new ATOM 0 HG22 VAL A 31 19.850 3.317 -4.080 1.00 14.30 H new ATOM 0 HG23 VAL A 31 18.721 3.710 -5.398 1.00 14.30 H new ATOM 489 N ILE A 32 17.457 6.616 -1.317 1.00 42.35 N ATOM 490 CA ILE A 32 17.150 7.853 -0.610 1.00 43.55 C ATOM 491 C ILE A 32 18.423 8.617 -0.261 1.00 40.55 C ATOM 492 O ILE A 32 19.093 8.312 0.725 1.00 15.05 O ATOM 493 CB ILE A 32 16.357 7.582 0.682 1.00 64.34 C ATOM 494 CG1 ILE A 32 15.192 6.631 0.400 1.00 12.32 C ATOM 495 CG2 ILE A 32 15.852 8.887 1.277 1.00 13.12 C ATOM 496 CD1 ILE A 32 15.357 5.268 1.035 1.00 40.14 C ATOM 0 H ILE A 32 17.373 5.773 -0.749 1.00 42.35 H new ATOM 0 HA ILE A 32 16.539 8.456 -1.281 1.00 43.55 H new ATOM 0 HB ILE A 32 17.020 7.109 1.406 1.00 64.34 H new ATOM 0 HG12 ILE A 32 14.269 7.083 0.763 1.00 12.32 H new ATOM 0 HG13 ILE A 32 15.085 6.510 -0.678 1.00 12.32 H new ATOM 0 HG21 ILE A 32 15.293 8.679 2.190 1.00 13.12 H new ATOM 0 HG22 ILE A 32 16.699 9.533 1.509 1.00 13.12 H new ATOM 0 HG23 ILE A 32 15.201 9.386 0.559 1.00 13.12 H new ATOM 0 HD11 ILE A 32 14.494 4.647 0.793 1.00 40.14 H new ATOM 0 HD12 ILE A 32 16.262 4.796 0.653 1.00 40.14 H new ATOM 0 HD13 ILE A 32 15.433 5.377 2.117 1.00 40.14 H new ATOM 508 N VAL A 33 18.751 9.614 -1.077 1.00 52.53 N ATOM 509 CA VAL A 33 19.942 10.425 -0.854 1.00 12.24 C ATOM 510 C VAL A 33 19.583 11.766 -0.223 1.00 44.11 C ATOM 511 O VAL A 33 18.725 12.491 -0.726 1.00 15.01 O ATOM 512 CB VAL A 33 20.705 10.676 -2.168 1.00 20.12 C ATOM 513 CG1 VAL A 33 22.053 11.323 -1.888 1.00 12.04 C ATOM 514 CG2 VAL A 33 20.878 9.376 -2.939 1.00 4.11 C ATOM 0 H VAL A 33 18.208 9.879 -1.899 1.00 52.53 H new ATOM 0 HA VAL A 33 20.583 9.866 -0.172 1.00 12.24 H new ATOM 0 HB VAL A 33 20.121 11.362 -2.782 1.00 20.12 H new ATOM 0 HG11 VAL A 33 22.578 11.493 -2.828 1.00 12.04 H new ATOM 0 HG12 VAL A 33 21.901 12.276 -1.380 1.00 12.04 H new ATOM 0 HG13 VAL A 33 22.648 10.665 -1.254 1.00 12.04 H new ATOM 0 HG21 VAL A 33 21.419 9.571 -3.865 1.00 4.11 H new ATOM 0 HG22 VAL A 33 21.440 8.666 -2.333 1.00 4.11 H new ATOM 0 HG23 VAL A 33 19.899 8.958 -3.172 1.00 4.11 H new ATOM 524 N PHE A 34 20.247 12.091 0.881 1.00 25.12 N ATOM 525 CA PHE A 34 19.999 13.345 1.582 1.00 51.42 C ATOM 526 C PHE A 34 20.836 14.475 0.989 1.00 61.24 C ATOM 527 O PHE A 34 22.061 14.379 0.907 1.00 2.11 O ATOM 528 CB PHE A 34 20.311 13.192 3.072 1.00 50.51 C ATOM 529 CG PHE A 34 20.504 14.502 3.781 1.00 11.24 C ATOM 530 CD1 PHE A 34 21.521 14.659 4.709 1.00 13.34 C ATOM 531 CD2 PHE A 34 19.668 15.576 3.521 1.00 40.13 C ATOM 532 CE1 PHE A 34 21.701 15.863 5.364 1.00 43.32 C ATOM 533 CE2 PHE A 34 19.844 16.782 4.172 1.00 50.53 C ATOM 534 CZ PHE A 34 20.861 16.926 5.095 1.00 30.13 C ATOM 0 H PHE A 34 20.962 11.503 1.310 1.00 25.12 H new ATOM 0 HA PHE A 34 18.945 13.596 1.463 1.00 51.42 H new ATOM 0 HB2 PHE A 34 19.499 12.645 3.551 1.00 50.51 H new ATOM 0 HB3 PHE A 34 21.212 12.590 3.186 1.00 50.51 H new ATOM 0 HD1 PHE A 34 22.181 13.831 4.923 1.00 13.34 H new ATOM 0 HD2 PHE A 34 18.870 15.469 2.801 1.00 40.13 H new ATOM 0 HE1 PHE A 34 22.497 15.972 6.085 1.00 43.32 H new ATOM 0 HE2 PHE A 34 19.186 17.612 3.959 1.00 50.53 H new ATOM 0 HZ PHE A 34 20.999 17.868 5.605 1.00 30.13 H new ATOM 544 N THR A 35 20.166 15.546 0.574 1.00 32.42 N ATOM 545 CA THR A 35 20.846 16.693 -0.013 1.00 70.12 C ATOM 546 C THR A 35 20.071 17.981 0.241 1.00 71.23 C ATOM 547 O THR A 35 18.842 17.972 0.322 1.00 2.01 O ATOM 548 CB THR A 35 21.040 16.515 -1.531 1.00 31.42 C ATOM 549 OG1 THR A 35 20.200 15.459 -2.011 1.00 53.34 O ATOM 550 CG2 THR A 35 22.492 16.202 -1.858 1.00 3.12 C ATOM 0 H THR A 35 19.152 15.642 0.634 1.00 32.42 H new ATOM 0 HA THR A 35 21.823 16.760 0.465 1.00 70.12 H new ATOM 0 HB THR A 35 20.767 17.449 -2.022 1.00 31.42 H new ATOM 0 HG1 THR A 35 20.328 15.353 -2.977 1.00 53.34 H new ATOM 0 HG21 THR A 35 22.604 16.081 -2.935 1.00 3.12 H new ATOM 0 HG22 THR A 35 23.126 17.020 -1.517 1.00 3.12 H new ATOM 0 HG23 THR A 35 22.787 15.281 -1.356 1.00 3.12 H new ATOM 558 N HIS A 36 20.796 19.088 0.365 1.00 62.14 N ATOM 559 CA HIS A 36 20.175 20.385 0.608 1.00 4.21 C ATOM 560 C HIS A 36 20.057 21.182 -0.687 1.00 53.44 C ATOM 561 O HIS A 36 20.917 21.117 -1.566 1.00 11.31 O ATOM 562 CB HIS A 36 20.985 21.177 1.635 1.00 22.14 C ATOM 563 CG HIS A 36 22.407 21.410 1.226 1.00 20.05 C ATOM 564 ND1 HIS A 36 23.421 20.512 1.485 1.00 3.42 N ATOM 565 CD2 HIS A 36 22.981 22.446 0.572 1.00 44.12 C ATOM 566 CE1 HIS A 36 24.558 20.987 1.009 1.00 5.20 C ATOM 567 NE2 HIS A 36 24.319 22.159 0.449 1.00 12.34 N ATOM 0 H HIS A 36 21.814 19.113 0.301 1.00 62.14 H new ATOM 0 HA HIS A 36 19.173 20.212 1.001 1.00 4.21 H new ATOM 0 HB2 HIS A 36 20.502 22.139 1.803 1.00 22.14 H new ATOM 0 HB3 HIS A 36 20.972 20.644 2.585 1.00 22.14 H new ATOM 0 HD1 HIS A 36 23.310 19.621 1.968 1.00 3.42 H new ATOM 0 HD2 HIS A 36 22.481 23.333 0.213 1.00 44.12 H new ATOM 0 HE1 HIS A 36 25.520 20.500 1.068 1.00 5.20 H new ATOM 575 N PRO A 37 18.966 21.953 -0.811 1.00 74.30 N ATOM 576 CA PRO A 37 18.709 22.777 -1.996 1.00 34.23 C ATOM 577 C PRO A 37 19.672 23.954 -2.103 1.00 52.11 C ATOM 578 O PRO A 37 20.501 24.172 -1.220 1.00 2.33 O ATOM 579 CB PRO A 37 17.278 23.275 -1.778 1.00 33.13 C ATOM 580 CG PRO A 37 17.086 23.242 -0.301 1.00 20.13 C ATOM 581 CD PRO A 37 17.899 22.079 0.197 1.00 62.25 C ATOM 0 HA PRO A 37 18.843 22.215 -2.920 1.00 34.23 H new ATOM 0 HB2 PRO A 37 17.145 24.283 -2.172 1.00 33.13 H new ATOM 0 HB3 PRO A 37 16.555 22.636 -2.286 1.00 33.13 H new ATOM 0 HG2 PRO A 37 17.418 24.174 0.156 1.00 20.13 H new ATOM 0 HG3 PRO A 37 16.033 23.119 -0.047 1.00 20.13 H new ATOM 0 HD2 PRO A 37 18.305 22.269 1.191 1.00 62.25 H new ATOM 0 HD3 PRO A 37 17.301 21.170 0.265 1.00 62.25 H new ATOM 589 N ASP A 38 19.556 24.710 -3.189 1.00 63.35 N ATOM 590 CA ASP A 38 20.416 25.866 -3.411 1.00 44.34 C ATOM 591 C ASP A 38 21.850 25.567 -2.985 1.00 2.21 C ATOM 592 O ASP A 38 22.267 25.921 -1.882 1.00 50.21 O ATOM 593 CB ASP A 38 19.885 27.078 -2.644 1.00 42.22 C ATOM 594 CG ASP A 38 19.717 26.798 -1.164 1.00 2.12 C ATOM 595 OD1 ASP A 38 18.693 26.190 -0.787 1.00 63.11 O ATOM 596 OD2 ASP A 38 20.610 27.186 -0.382 1.00 11.21 O ATOM 0 H ASP A 38 18.875 24.543 -3.929 1.00 63.35 H new ATOM 0 HA ASP A 38 20.413 26.091 -4.478 1.00 44.34 H new ATOM 0 HB2 ASP A 38 20.569 27.916 -2.777 1.00 42.22 H new ATOM 0 HB3 ASP A 38 18.926 27.379 -3.065 1.00 42.22 H new ATOM 601 N SER A 39 22.600 24.912 -3.866 1.00 12.23 N ATOM 602 CA SER A 39 23.986 24.561 -3.579 1.00 34.25 C ATOM 603 C SER A 39 24.712 24.132 -4.850 1.00 32.22 C ATOM 604 O SER A 39 24.677 22.963 -5.235 1.00 23.23 O ATOM 605 CB SER A 39 24.045 23.439 -2.540 1.00 73.44 C ATOM 606 OG SER A 39 25.332 23.354 -1.953 1.00 53.42 O ATOM 0 H SER A 39 22.271 24.614 -4.784 1.00 12.23 H new ATOM 0 HA SER A 39 24.484 25.444 -3.178 1.00 34.25 H new ATOM 0 HB2 SER A 39 23.300 23.617 -1.765 1.00 73.44 H new ATOM 0 HB3 SER A 39 23.794 22.489 -3.012 1.00 73.44 H new ATOM 0 HG SER A 39 25.259 22.953 -1.062 1.00 53.42 H new ATOM 612 N LYS A 40 25.370 25.087 -5.499 1.00 33.34 N ATOM 613 CA LYS A 40 26.106 24.810 -6.726 1.00 43.42 C ATOM 614 C LYS A 40 27.395 24.050 -6.428 1.00 75.13 C ATOM 615 O LYS A 40 27.665 23.009 -7.028 1.00 52.30 O ATOM 616 CB LYS A 40 26.430 26.116 -7.456 1.00 55.12 C ATOM 617 CG LYS A 40 27.160 25.912 -8.772 1.00 52.43 C ATOM 618 CD LYS A 40 27.157 27.178 -9.613 1.00 74.24 C ATOM 619 CE LYS A 40 25.876 27.305 -10.424 1.00 12.32 C ATOM 620 NZ LYS A 40 25.232 28.635 -10.239 1.00 3.44 N ATOM 0 H LYS A 40 25.408 26.060 -5.195 1.00 33.34 H new ATOM 0 HA LYS A 40 25.478 24.189 -7.364 1.00 43.42 H new ATOM 0 HB2 LYS A 40 25.503 26.657 -7.645 1.00 55.12 H new ATOM 0 HB3 LYS A 40 27.039 26.744 -6.806 1.00 55.12 H new ATOM 0 HG2 LYS A 40 28.188 25.607 -8.576 1.00 52.43 H new ATOM 0 HG3 LYS A 40 26.688 25.103 -9.329 1.00 52.43 H new ATOM 0 HD2 LYS A 40 27.266 28.047 -8.964 1.00 74.24 H new ATOM 0 HD3 LYS A 40 28.015 27.172 -10.285 1.00 74.24 H new ATOM 0 HE2 LYS A 40 26.098 27.153 -11.480 1.00 12.32 H new ATOM 0 HE3 LYS A 40 25.180 26.520 -10.129 1.00 12.32 H new ATOM 0 HZ1 LYS A 40 24.363 28.682 -10.808 1.00 3.44 H new ATOM 0 HZ2 LYS A 40 24.997 28.770 -9.235 1.00 3.44 H new ATOM 0 HZ3 LYS A 40 25.886 29.383 -10.545 1.00 3.44 H new ATOM 634 N ARG A 41 28.185 24.575 -5.498 1.00 11.30 N ATOM 635 CA ARG A 41 29.444 23.945 -5.121 1.00 4.33 C ATOM 636 C ARG A 41 29.221 22.498 -4.692 1.00 3.01 C ATOM 637 O ARG A 41 30.119 21.662 -4.801 1.00 14.51 O ATOM 638 CB ARG A 41 30.111 24.727 -3.987 1.00 50.34 C ATOM 639 CG ARG A 41 31.043 25.826 -4.472 1.00 24.34 C ATOM 640 CD ARG A 41 32.404 25.738 -3.799 1.00 23.02 C ATOM 641 NE ARG A 41 33.387 25.057 -4.638 1.00 12.03 N ATOM 642 CZ ARG A 41 34.692 25.059 -4.390 1.00 32.51 C ATOM 643 NH1 ARG A 41 35.168 25.701 -3.333 1.00 5.41 N ATOM 644 NH2 ARG A 41 35.523 24.416 -5.200 1.00 71.52 N ATOM 0 H ARG A 41 27.975 25.435 -4.992 1.00 11.30 H new ATOM 0 HA ARG A 41 30.099 23.951 -5.992 1.00 4.33 H new ATOM 0 HB2 ARG A 41 29.338 25.169 -3.358 1.00 50.34 H new ATOM 0 HB3 ARG A 41 30.674 24.034 -3.361 1.00 50.34 H new ATOM 0 HG2 ARG A 41 31.165 25.751 -5.553 1.00 24.34 H new ATOM 0 HG3 ARG A 41 30.597 26.799 -4.268 1.00 24.34 H new ATOM 0 HD2 ARG A 41 32.759 26.742 -3.567 1.00 23.02 H new ATOM 0 HD3 ARG A 41 32.306 25.208 -2.852 1.00 23.02 H new ATOM 0 HE ARG A 41 33.053 24.552 -5.459 1.00 12.03 H new ATOM 0 HH11 ARG A 41 34.532 26.195 -2.707 1.00 5.41 H new ATOM 0 HH12 ARG A 41 36.171 25.701 -3.145 1.00 5.41 H new ATOM 0 HH21 ARG A 41 35.160 23.920 -6.014 1.00 71.52 H new ATOM 0 HH22 ARG A 41 36.525 24.418 -5.009 1.00 71.52 H new ATOM 658 N SER A 42 28.019 22.209 -4.204 1.00 2.55 N ATOM 659 CA SER A 42 27.679 20.865 -3.754 1.00 64.40 C ATOM 660 C SER A 42 26.682 20.210 -4.705 1.00 30.21 C ATOM 661 O SER A 42 26.190 20.842 -5.640 1.00 1.11 O ATOM 662 CB SER A 42 27.099 20.908 -2.339 1.00 41.21 C ATOM 663 OG SER A 42 27.815 21.818 -1.522 1.00 64.10 O ATOM 0 H SER A 42 27.264 22.888 -4.110 1.00 2.55 H new ATOM 0 HA SER A 42 28.592 20.270 -3.746 1.00 64.40 H new ATOM 0 HB2 SER A 42 26.050 21.200 -2.381 1.00 41.21 H new ATOM 0 HB3 SER A 42 27.135 19.912 -1.897 1.00 41.21 H new ATOM 0 HG SER A 42 27.262 22.609 -1.351 1.00 64.10 H new ATOM 669 N LYS A 43 26.388 18.938 -4.459 1.00 73.43 N ATOM 670 CA LYS A 43 25.448 18.195 -5.291 1.00 64.40 C ATOM 671 C LYS A 43 25.973 18.061 -6.717 1.00 72.51 C ATOM 672 O LYS A 43 25.223 17.729 -7.635 1.00 13.54 O ATOM 673 CB LYS A 43 24.085 18.889 -5.301 1.00 34.20 C ATOM 674 CG LYS A 43 22.995 18.099 -4.597 1.00 10.02 C ATOM 675 CD LYS A 43 21.686 18.147 -5.366 1.00 74.03 C ATOM 676 CE LYS A 43 20.775 19.250 -4.849 1.00 42.21 C ATOM 677 NZ LYS A 43 20.313 20.147 -5.944 1.00 44.33 N ATOM 0 H LYS A 43 26.787 18.400 -3.690 1.00 73.43 H new ATOM 0 HA LYS A 43 25.337 17.197 -4.868 1.00 64.40 H new ATOM 0 HB2 LYS A 43 24.180 19.865 -4.825 1.00 34.20 H new ATOM 0 HB3 LYS A 43 23.784 19.066 -6.334 1.00 34.20 H new ATOM 0 HG2 LYS A 43 23.312 17.063 -4.482 1.00 10.02 H new ATOM 0 HG3 LYS A 43 22.844 18.500 -3.595 1.00 10.02 H new ATOM 0 HD2 LYS A 43 21.890 18.309 -6.424 1.00 74.03 H new ATOM 0 HD3 LYS A 43 21.179 17.186 -5.283 1.00 74.03 H new ATOM 0 HE2 LYS A 43 19.911 18.806 -4.355 1.00 42.21 H new ATOM 0 HE3 LYS A 43 21.305 19.836 -4.098 1.00 42.21 H new ATOM 0 HZ1 LYS A 43 19.695 20.885 -5.551 1.00 44.33 H new ATOM 0 HZ2 LYS A 43 21.136 20.591 -6.399 1.00 44.33 H new ATOM 0 HZ3 LYS A 43 19.785 19.592 -6.648 1.00 44.33 H new ATOM 691 N GLU A 44 27.265 18.318 -6.895 1.00 12.44 N ATOM 692 CA GLU A 44 27.888 18.225 -8.210 1.00 0.34 C ATOM 693 C GLU A 44 28.125 16.769 -8.597 1.00 62.44 C ATOM 694 O GLU A 44 27.926 16.382 -9.749 1.00 61.23 O ATOM 695 CB GLU A 44 29.213 18.991 -8.226 1.00 54.11 C ATOM 696 CG GLU A 44 30.220 18.487 -7.207 1.00 20.34 C ATOM 697 CD GLU A 44 31.486 19.320 -7.176 1.00 45.02 C ATOM 698 OE1 GLU A 44 31.975 19.616 -6.065 1.00 54.04 O ATOM 699 OE2 GLU A 44 31.989 19.676 -8.262 1.00 41.33 O ATOM 0 H GLU A 44 27.900 18.592 -6.146 1.00 12.44 H new ATOM 0 HA GLU A 44 27.210 18.671 -8.938 1.00 0.34 H new ATOM 0 HB2 GLU A 44 29.651 18.922 -9.222 1.00 54.11 H new ATOM 0 HB3 GLU A 44 29.015 20.046 -8.037 1.00 54.11 H new ATOM 0 HG2 GLU A 44 29.763 18.491 -6.218 1.00 20.34 H new ATOM 0 HG3 GLU A 44 30.476 17.452 -7.436 1.00 20.34 H new ATOM 706 N ILE A 45 28.552 15.966 -7.628 1.00 10.51 N ATOM 707 CA ILE A 45 28.816 14.553 -7.867 1.00 52.11 C ATOM 708 C ILE A 45 27.529 13.801 -8.190 1.00 64.33 C ATOM 709 O ILE A 45 27.563 12.659 -8.651 1.00 2.41 O ATOM 710 CB ILE A 45 29.492 13.893 -6.651 1.00 33.21 C ATOM 711 CG1 ILE A 45 28.627 14.070 -5.401 1.00 70.41 C ATOM 712 CG2 ILE A 45 30.877 14.481 -6.431 1.00 2.33 C ATOM 713 CD1 ILE A 45 27.574 12.996 -5.238 1.00 20.10 C ATOM 0 H ILE A 45 28.722 16.270 -6.670 1.00 10.51 H new ATOM 0 HA ILE A 45 29.491 14.498 -8.721 1.00 52.11 H new ATOM 0 HB ILE A 45 29.599 12.826 -6.848 1.00 33.21 H new ATOM 0 HG12 ILE A 45 29.270 14.073 -4.521 1.00 70.41 H new ATOM 0 HG13 ILE A 45 28.138 15.043 -5.442 1.00 70.41 H new ATOM 0 HG21 ILE A 45 31.342 14.004 -5.568 1.00 2.33 H new ATOM 0 HG22 ILE A 45 31.490 14.308 -7.315 1.00 2.33 H new ATOM 0 HG23 ILE A 45 30.793 15.553 -6.252 1.00 2.33 H new ATOM 0 HD11 ILE A 45 26.999 13.185 -4.332 1.00 20.10 H new ATOM 0 HD12 ILE A 45 26.907 13.007 -6.100 1.00 20.10 H new ATOM 0 HD13 ILE A 45 28.057 12.021 -5.165 1.00 20.10 H new ATOM 725 N LYS A 46 26.395 14.448 -7.948 1.00 11.34 N ATOM 726 CA LYS A 46 25.096 13.843 -8.215 1.00 54.21 C ATOM 727 C LYS A 46 25.055 13.238 -9.615 1.00 10.41 C ATOM 728 O LYS A 46 24.577 12.120 -9.803 1.00 43.24 O ATOM 729 CB LYS A 46 23.984 14.885 -8.066 1.00 24.23 C ATOM 730 CG LYS A 46 23.726 15.296 -6.627 1.00 0.34 C ATOM 731 CD LYS A 46 23.134 14.154 -5.818 1.00 1.32 C ATOM 732 CE LYS A 46 23.741 14.084 -4.425 1.00 44.30 C ATOM 733 NZ LYS A 46 24.635 12.903 -4.268 1.00 53.31 N ATOM 0 H LYS A 46 26.349 15.393 -7.567 1.00 11.34 H new ATOM 0 HA LYS A 46 24.939 13.046 -7.488 1.00 54.21 H new ATOM 0 HB2 LYS A 46 24.246 15.770 -8.646 1.00 24.23 H new ATOM 0 HB3 LYS A 46 23.064 14.486 -8.492 1.00 24.23 H new ATOM 0 HG2 LYS A 46 24.659 15.623 -6.168 1.00 0.34 H new ATOM 0 HG3 LYS A 46 23.046 16.148 -6.607 1.00 0.34 H new ATOM 0 HD2 LYS A 46 22.055 14.284 -5.740 1.00 1.32 H new ATOM 0 HD3 LYS A 46 23.305 13.211 -6.338 1.00 1.32 H new ATOM 0 HE2 LYS A 46 24.306 14.995 -4.229 1.00 44.30 H new ATOM 0 HE3 LYS A 46 22.944 14.037 -3.683 1.00 44.30 H new ATOM 0 HZ1 LYS A 46 25.255 13.044 -3.445 1.00 53.31 H new ATOM 0 HZ2 LYS A 46 24.060 12.048 -4.126 1.00 53.31 H new ATOM 0 HZ3 LYS A 46 25.215 12.791 -5.124 1.00 53.31 H new ATOM 747 N GLU A 47 25.560 13.985 -10.592 1.00 63.41 N ATOM 748 CA GLU A 47 25.582 13.520 -11.974 1.00 55.01 C ATOM 749 C GLU A 47 26.155 12.109 -12.065 1.00 21.10 C ATOM 750 O GLU A 47 25.728 11.304 -12.893 1.00 53.43 O ATOM 751 CB GLU A 47 26.404 14.474 -12.843 1.00 71.45 C ATOM 752 CG GLU A 47 25.790 14.735 -14.209 1.00 21.13 C ATOM 753 CD GLU A 47 24.544 15.595 -14.133 1.00 14.01 C ATOM 754 OE1 GLU A 47 23.980 15.916 -15.200 1.00 15.20 O ATOM 755 OE2 GLU A 47 24.132 15.947 -13.008 1.00 5.13 O ATOM 0 H GLU A 47 25.959 14.913 -10.452 1.00 63.41 H new ATOM 0 HA GLU A 47 24.555 13.500 -12.340 1.00 55.01 H new ATOM 0 HB2 GLU A 47 26.519 15.422 -12.318 1.00 71.45 H new ATOM 0 HB3 GLU A 47 27.404 14.061 -12.976 1.00 71.45 H new ATOM 0 HG2 GLU A 47 26.526 15.224 -14.847 1.00 21.13 H new ATOM 0 HG3 GLU A 47 25.542 13.784 -14.680 1.00 21.13 H new ATOM 762 N LYS A 48 27.127 11.815 -11.208 1.00 13.24 N ATOM 763 CA LYS A 48 27.760 10.502 -11.189 1.00 1.04 C ATOM 764 C LYS A 48 26.736 9.408 -10.901 1.00 5.40 C ATOM 765 O LYS A 48 26.764 8.341 -11.515 1.00 24.33 O ATOM 766 CB LYS A 48 28.872 10.464 -10.137 1.00 54.33 C ATOM 767 CG LYS A 48 29.899 11.571 -10.298 1.00 51.43 C ATOM 768 CD LYS A 48 31.316 11.025 -10.272 1.00 65.24 C ATOM 769 CE LYS A 48 32.309 12.022 -10.850 1.00 1.11 C ATOM 770 NZ LYS A 48 32.302 12.012 -12.339 1.00 5.40 N ATOM 0 H LYS A 48 27.494 12.469 -10.517 1.00 13.24 H new ATOM 0 HA LYS A 48 28.192 10.321 -12.173 1.00 1.04 H new ATOM 0 HB2 LYS A 48 28.425 10.536 -9.145 1.00 54.33 H new ATOM 0 HB3 LYS A 48 29.378 9.500 -10.190 1.00 54.33 H new ATOM 0 HG2 LYS A 48 29.727 12.094 -11.239 1.00 51.43 H new ATOM 0 HG3 LYS A 48 29.775 12.302 -9.499 1.00 51.43 H new ATOM 0 HD2 LYS A 48 31.596 10.785 -9.246 1.00 65.24 H new ATOM 0 HD3 LYS A 48 31.359 10.096 -10.840 1.00 65.24 H new ATOM 0 HE2 LYS A 48 32.068 13.023 -10.492 1.00 1.11 H new ATOM 0 HE3 LYS A 48 33.311 11.787 -10.490 1.00 1.11 H new ATOM 0 HZ1 LYS A 48 32.992 12.705 -12.694 1.00 5.40 H new ATOM 0 HZ2 LYS A 48 32.556 11.063 -12.681 1.00 5.40 H new ATOM 0 HZ3 LYS A 48 31.353 12.261 -12.683 1.00 5.40 H new ATOM 784 N LEU A 49 25.833 9.681 -9.966 1.00 2.12 N ATOM 785 CA LEU A 49 24.799 8.720 -9.598 1.00 12.40 C ATOM 786 C LEU A 49 23.722 8.641 -10.675 1.00 14.11 C ATOM 787 O LEU A 49 23.161 7.575 -10.931 1.00 24.00 O ATOM 788 CB LEU A 49 24.169 9.107 -8.258 1.00 64.14 C ATOM 789 CG LEU A 49 23.324 8.030 -7.579 1.00 34.44 C ATOM 790 CD1 LEU A 49 24.176 6.816 -7.241 1.00 12.24 C ATOM 791 CD2 LEU A 49 22.661 8.584 -6.326 1.00 34.41 C ATOM 0 H LEU A 49 25.796 10.559 -9.449 1.00 2.12 H new ATOM 0 HA LEU A 49 25.265 7.739 -9.504 1.00 12.40 H new ATOM 0 HB2 LEU A 49 24.967 9.399 -7.575 1.00 64.14 H new ATOM 0 HB3 LEU A 49 23.544 9.987 -8.413 1.00 64.14 H new ATOM 0 HG LEU A 49 22.543 7.718 -8.272 1.00 34.44 H new ATOM 0 HD11 LEU A 49 23.557 6.060 -6.758 1.00 12.24 H new ATOM 0 HD12 LEU A 49 24.603 6.405 -8.156 1.00 12.24 H new ATOM 0 HD13 LEU A 49 24.979 7.112 -6.566 1.00 12.24 H new ATOM 0 HD21 LEU A 49 22.063 7.804 -5.855 1.00 34.41 H new ATOM 0 HD22 LEU A 49 23.427 8.924 -5.629 1.00 34.41 H new ATOM 0 HD23 LEU A 49 22.017 9.421 -6.595 1.00 34.41 H new ATOM 803 N LYS A 50 23.437 9.776 -11.305 1.00 24.11 N ATOM 804 CA LYS A 50 22.430 9.836 -12.357 1.00 61.24 C ATOM 805 C LYS A 50 22.833 8.969 -13.546 1.00 42.43 C ATOM 806 O LYS A 50 21.994 8.310 -14.160 1.00 62.22 O ATOM 807 CB LYS A 50 22.224 11.282 -12.813 1.00 45.12 C ATOM 808 CG LYS A 50 20.858 11.843 -12.458 1.00 45.41 C ATOM 809 CD LYS A 50 20.719 13.291 -12.898 1.00 52.02 C ATOM 810 CE LYS A 50 19.481 13.939 -12.297 1.00 40.34 C ATOM 811 NZ LYS A 50 18.742 14.758 -13.298 1.00 62.33 N ATOM 0 H LYS A 50 23.890 10.668 -11.105 1.00 24.11 H new ATOM 0 HA LYS A 50 21.494 9.453 -11.951 1.00 61.24 H new ATOM 0 HB2 LYS A 50 22.993 11.909 -12.363 1.00 45.12 H new ATOM 0 HB3 LYS A 50 22.360 11.336 -13.893 1.00 45.12 H new ATOM 0 HG2 LYS A 50 20.082 11.242 -12.932 1.00 45.41 H new ATOM 0 HG3 LYS A 50 20.703 11.772 -11.381 1.00 45.41 H new ATOM 0 HD2 LYS A 50 21.605 13.850 -12.599 1.00 52.02 H new ATOM 0 HD3 LYS A 50 20.664 13.338 -13.986 1.00 52.02 H new ATOM 0 HE2 LYS A 50 18.822 13.166 -11.902 1.00 40.34 H new ATOM 0 HE3 LYS A 50 19.772 14.569 -11.456 1.00 40.34 H new ATOM 0 HZ1 LYS A 50 17.905 15.183 -12.849 1.00 62.33 H new ATOM 0 HZ2 LYS A 50 19.363 15.512 -13.656 1.00 62.33 H new ATOM 0 HZ3 LYS A 50 18.441 14.152 -14.088 1.00 62.33 H new ATOM 825 N LYS A 51 24.123 8.974 -13.866 1.00 10.32 N ATOM 826 CA LYS A 51 24.639 8.187 -14.979 1.00 51.04 C ATOM 827 C LYS A 51 24.597 6.697 -14.657 1.00 65.42 C ATOM 828 O LYS A 51 24.310 5.871 -15.525 1.00 45.23 O ATOM 829 CB LYS A 51 26.073 8.609 -15.308 1.00 73.00 C ATOM 830 CG LYS A 51 26.335 8.766 -16.796 1.00 34.11 C ATOM 831 CD LYS A 51 27.587 9.585 -17.058 1.00 42.13 C ATOM 832 CE LYS A 51 27.310 11.077 -16.952 1.00 30.20 C ATOM 833 NZ LYS A 51 28.079 11.857 -17.961 1.00 13.11 N ATOM 0 H LYS A 51 24.831 9.515 -13.369 1.00 10.32 H new ATOM 0 HA LYS A 51 24.005 8.371 -15.846 1.00 51.04 H new ATOM 0 HB2 LYS A 51 26.289 9.553 -14.808 1.00 73.00 H new ATOM 0 HB3 LYS A 51 26.763 7.869 -14.902 1.00 73.00 H new ATOM 0 HG2 LYS A 51 26.440 7.782 -17.254 1.00 34.11 H new ATOM 0 HG3 LYS A 51 25.479 9.247 -17.268 1.00 34.11 H new ATOM 0 HD2 LYS A 51 28.362 9.306 -16.344 1.00 42.13 H new ATOM 0 HD3 LYS A 51 27.972 9.355 -18.051 1.00 42.13 H new ATOM 0 HE2 LYS A 51 26.244 11.259 -17.088 1.00 30.20 H new ATOM 0 HE3 LYS A 51 27.568 11.424 -15.951 1.00 30.20 H new ATOM 0 HZ1 LYS A 51 27.863 12.869 -17.856 1.00 13.11 H new ATOM 0 HZ2 LYS A 51 29.097 11.704 -17.816 1.00 13.11 H new ATOM 0 HZ3 LYS A 51 27.815 11.544 -18.917 1.00 13.11 H new ATOM 847 N LEU A 52 24.884 6.359 -13.405 1.00 23.40 N ATOM 848 CA LEU A 52 24.878 4.967 -12.968 1.00 22.14 C ATOM 849 C LEU A 52 23.571 4.281 -13.351 1.00 14.42 C ATOM 850 O LEU A 52 23.537 3.074 -13.584 1.00 34.52 O ATOM 851 CB LEU A 52 25.085 4.886 -11.454 1.00 41.41 C ATOM 852 CG LEU A 52 25.100 3.481 -10.852 1.00 72.25 C ATOM 853 CD1 LEU A 52 25.987 3.438 -9.618 1.00 34.12 C ATOM 854 CD2 LEU A 52 23.686 3.032 -10.512 1.00 63.41 C ATOM 0 H LEU A 52 25.124 7.029 -12.675 1.00 23.40 H new ATOM 0 HA LEU A 52 25.697 4.452 -13.469 1.00 22.14 H new ATOM 0 HB2 LEU A 52 26.029 5.374 -11.210 1.00 41.41 H new ATOM 0 HB3 LEU A 52 24.295 5.459 -10.968 1.00 41.41 H new ATOM 0 HG LEU A 52 25.510 2.794 -11.592 1.00 72.25 H new ATOM 0 HD11 LEU A 52 25.985 2.430 -9.203 1.00 34.12 H new ATOM 0 HD12 LEU A 52 27.005 3.716 -9.892 1.00 34.12 H new ATOM 0 HD13 LEU A 52 25.608 4.137 -8.873 1.00 34.12 H new ATOM 0 HD21 LEU A 52 23.715 2.030 -10.085 1.00 63.41 H new ATOM 0 HD22 LEU A 52 23.249 3.722 -9.790 1.00 63.41 H new ATOM 0 HD23 LEU A 52 23.080 3.022 -11.418 1.00 63.41 H new ATOM 866 N ALA A 53 22.497 5.061 -13.416 1.00 15.41 N ATOM 867 CA ALA A 53 21.187 4.530 -13.775 1.00 45.41 C ATOM 868 C ALA A 53 21.253 3.743 -15.080 1.00 4.35 C ATOM 869 O ALA A 53 20.455 2.835 -15.307 1.00 50.25 O ATOM 870 CB ALA A 53 20.173 5.659 -13.888 1.00 61.20 C ATOM 0 H ALA A 53 22.508 6.063 -13.225 1.00 15.41 H new ATOM 0 HA ALA A 53 20.869 3.849 -12.986 1.00 45.41 H new ATOM 0 HB1 ALA A 53 19.200 5.248 -14.156 1.00 61.20 H new ATOM 0 HB2 ALA A 53 20.097 6.177 -12.932 1.00 61.20 H new ATOM 0 HB3 ALA A 53 20.495 6.362 -14.657 1.00 61.20 H new ATOM 876 N GLU A 54 22.210 4.099 -15.932 1.00 74.51 N ATOM 877 CA GLU A 54 22.377 3.425 -17.215 1.00 3.14 C ATOM 878 C GLU A 54 23.021 2.054 -17.029 1.00 50.01 C ATOM 879 O GLU A 54 22.492 1.042 -17.487 1.00 53.11 O ATOM 880 CB GLU A 54 23.230 4.278 -18.156 1.00 4.11 C ATOM 881 CG GLU A 54 23.411 3.667 -19.535 1.00 51.13 C ATOM 882 CD GLU A 54 24.606 2.737 -19.609 1.00 62.15 C ATOM 883 OE1 GLU A 54 25.750 3.240 -19.602 1.00 75.51 O ATOM 884 OE2 GLU A 54 24.399 1.507 -19.675 1.00 52.41 O ATOM 0 H GLU A 54 22.880 4.848 -15.758 1.00 74.51 H new ATOM 0 HA GLU A 54 21.390 3.287 -17.656 1.00 3.14 H new ATOM 0 HB2 GLU A 54 22.769 5.260 -18.261 1.00 4.11 H new ATOM 0 HB3 GLU A 54 24.210 4.432 -17.705 1.00 4.11 H new ATOM 0 HG2 GLU A 54 22.510 3.117 -19.805 1.00 51.13 H new ATOM 0 HG3 GLU A 54 23.530 4.464 -20.269 1.00 51.13 H new ATOM 891 N GLU A 55 24.166 2.031 -16.355 1.00 24.23 N ATOM 892 CA GLU A 55 24.883 0.785 -16.110 1.00 71.40 C ATOM 893 C GLU A 55 24.019 -0.194 -15.319 1.00 52.45 C ATOM 894 O GLU A 55 24.214 -1.407 -15.388 1.00 71.32 O ATOM 895 CB GLU A 55 26.184 1.059 -15.354 1.00 24.23 C ATOM 896 CG GLU A 55 26.034 1.002 -13.843 1.00 12.32 C ATOM 897 CD GLU A 55 26.213 -0.399 -13.291 1.00 13.44 C ATOM 898 OE1 GLU A 55 26.066 -0.575 -12.063 1.00 10.21 O ATOM 899 OE2 GLU A 55 26.499 -1.318 -14.085 1.00 64.03 O ATOM 0 H GLU A 55 24.617 2.860 -15.969 1.00 24.23 H new ATOM 0 HA GLU A 55 25.120 0.337 -17.075 1.00 71.40 H new ATOM 0 HB2 GLU A 55 26.934 0.332 -15.664 1.00 24.23 H new ATOM 0 HB3 GLU A 55 26.558 2.043 -15.637 1.00 24.23 H new ATOM 0 HG2 GLU A 55 26.767 1.666 -13.384 1.00 12.32 H new ATOM 0 HG3 GLU A 55 25.048 1.375 -13.565 1.00 12.32 H new ATOM 906 N PHE A 56 23.063 0.344 -14.568 1.00 62.33 N ATOM 907 CA PHE A 56 22.170 -0.481 -13.763 1.00 14.50 C ATOM 908 C PHE A 56 20.854 0.245 -13.496 1.00 72.52 C ATOM 909 O PHE A 56 20.656 0.860 -12.448 1.00 62.03 O ATOM 910 CB PHE A 56 22.839 -0.851 -12.438 1.00 12.33 C ATOM 911 CG PHE A 56 22.244 -2.065 -11.785 1.00 30.54 C ATOM 912 CD1 PHE A 56 21.882 -2.042 -10.447 1.00 73.25 C ATOM 913 CD2 PHE A 56 22.048 -3.231 -12.508 1.00 13.02 C ATOM 914 CE1 PHE A 56 21.334 -3.158 -9.843 1.00 73.25 C ATOM 915 CE2 PHE A 56 21.500 -4.350 -11.909 1.00 52.24 C ATOM 916 CZ PHE A 56 21.144 -4.314 -10.575 1.00 54.23 C ATOM 0 H PHE A 56 22.887 1.346 -14.500 1.00 62.33 H new ATOM 0 HA PHE A 56 21.956 -1.393 -14.321 1.00 14.50 H new ATOM 0 HB2 PHE A 56 23.901 -1.026 -12.613 1.00 12.33 H new ATOM 0 HB3 PHE A 56 22.763 -0.006 -11.753 1.00 12.33 H new ATOM 0 HD1 PHE A 56 22.030 -1.141 -9.870 1.00 73.25 H new ATOM 0 HD2 PHE A 56 22.326 -3.266 -13.551 1.00 13.02 H new ATOM 0 HE1 PHE A 56 21.055 -3.126 -8.800 1.00 73.25 H new ATOM 0 HE2 PHE A 56 21.350 -5.252 -12.484 1.00 52.24 H new ATOM 0 HZ PHE A 56 20.718 -5.188 -10.105 1.00 54.23 H new ATOM 926 N PRO A 57 19.931 0.172 -14.467 1.00 62.51 N ATOM 927 CA PRO A 57 18.618 0.815 -14.361 1.00 61.43 C ATOM 928 C PRO A 57 17.724 0.140 -13.326 1.00 41.33 C ATOM 929 O PRO A 57 16.643 0.636 -13.009 1.00 10.24 O ATOM 930 CB PRO A 57 18.029 0.651 -15.765 1.00 30.14 C ATOM 931 CG PRO A 57 18.712 -0.548 -16.325 1.00 23.52 C ATOM 932 CD PRO A 57 20.099 -0.545 -15.743 1.00 13.14 C ATOM 0 HA PRO A 57 18.697 1.852 -14.035 1.00 61.43 H new ATOM 0 HB2 PRO A 57 16.949 0.510 -15.727 1.00 30.14 H new ATOM 0 HB3 PRO A 57 18.214 1.534 -16.377 1.00 30.14 H new ATOM 0 HG2 PRO A 57 18.179 -1.461 -16.058 1.00 23.52 H new ATOM 0 HG3 PRO A 57 18.746 -0.505 -17.414 1.00 23.52 H new ATOM 0 HD2 PRO A 57 20.473 -1.557 -15.589 1.00 13.14 H new ATOM 0 HD3 PRO A 57 20.809 -0.039 -16.398 1.00 13.14 H new ATOM 940 N ASP A 58 18.182 -0.992 -12.804 1.00 2.25 N ATOM 941 CA ASP A 58 17.424 -1.733 -11.803 1.00 21.54 C ATOM 942 C ASP A 58 17.155 -0.869 -10.575 1.00 33.34 C ATOM 943 O ASP A 58 16.226 -1.131 -9.810 1.00 54.33 O ATOM 944 CB ASP A 58 18.179 -3.000 -11.395 1.00 2.51 C ATOM 945 CG ASP A 58 17.955 -3.364 -9.940 1.00 62.25 C ATOM 946 OD1 ASP A 58 18.583 -2.731 -9.066 1.00 43.11 O ATOM 947 OD2 ASP A 58 17.151 -4.282 -9.677 1.00 22.35 O ATOM 0 H ASP A 58 19.074 -1.417 -13.057 1.00 2.25 H new ATOM 0 HA ASP A 58 16.467 -2.015 -12.243 1.00 21.54 H new ATOM 0 HB2 ASP A 58 17.860 -3.829 -12.027 1.00 2.51 H new ATOM 0 HB3 ASP A 58 19.245 -2.857 -11.571 1.00 2.51 H new ATOM 952 N VAL A 59 17.974 0.161 -10.391 1.00 23.12 N ATOM 953 CA VAL A 59 17.825 1.064 -9.256 1.00 33.22 C ATOM 954 C VAL A 59 17.232 2.400 -9.691 1.00 23.44 C ATOM 955 O VAL A 59 17.381 2.811 -10.841 1.00 52.14 O ATOM 956 CB VAL A 59 19.174 1.316 -8.558 1.00 3.23 C ATOM 957 CG1 VAL A 59 18.964 2.029 -7.231 1.00 1.52 C ATOM 958 CG2 VAL A 59 19.922 0.007 -8.356 1.00 43.01 C ATOM 0 H VAL A 59 18.748 0.391 -11.014 1.00 23.12 H new ATOM 0 HA VAL A 59 17.146 0.580 -8.553 1.00 33.22 H new ATOM 0 HB VAL A 59 19.779 1.959 -9.197 1.00 3.23 H new ATOM 0 HG11 VAL A 59 19.929 2.198 -6.752 1.00 1.52 H new ATOM 0 HG12 VAL A 59 18.473 2.986 -7.406 1.00 1.52 H new ATOM 0 HG13 VAL A 59 18.340 1.414 -6.582 1.00 1.52 H new ATOM 0 HG21 VAL A 59 20.873 0.204 -7.861 1.00 43.01 H new ATOM 0 HG22 VAL A 59 19.324 -0.662 -7.738 1.00 43.01 H new ATOM 0 HG23 VAL A 59 20.106 -0.460 -9.324 1.00 43.01 H new ATOM 968 N ASP A 60 16.561 3.073 -8.763 1.00 30.43 N ATOM 969 CA ASP A 60 15.947 4.364 -9.049 1.00 73.11 C ATOM 970 C ASP A 60 16.529 5.453 -8.154 1.00 42.20 C ATOM 971 O ASP A 60 16.534 5.327 -6.929 1.00 64.42 O ATOM 972 CB ASP A 60 14.431 4.285 -8.858 1.00 3.43 C ATOM 973 CG ASP A 60 14.040 4.114 -7.403 1.00 74.02 C ATOM 974 OD1 ASP A 60 13.952 5.134 -6.688 1.00 14.12 O ATOM 975 OD2 ASP A 60 13.820 2.960 -6.980 1.00 60.25 O ATOM 0 H ASP A 60 16.428 2.746 -7.806 1.00 30.43 H new ATOM 0 HA ASP A 60 16.162 4.619 -10.087 1.00 73.11 H new ATOM 0 HB2 ASP A 60 13.970 5.191 -9.251 1.00 3.43 H new ATOM 0 HB3 ASP A 60 14.037 3.450 -9.438 1.00 3.43 H new ATOM 980 N ILE A 61 17.020 6.521 -8.774 1.00 14.44 N ATOM 981 CA ILE A 61 17.604 7.632 -8.033 1.00 3.22 C ATOM 982 C ILE A 61 16.528 8.449 -7.327 1.00 12.43 C ATOM 983 O ILE A 61 15.581 8.923 -7.955 1.00 73.22 O ATOM 984 CB ILE A 61 18.414 8.561 -8.957 1.00 23.23 C ATOM 985 CG1 ILE A 61 18.911 9.782 -8.180 1.00 53.23 C ATOM 986 CG2 ILE A 61 17.571 8.990 -10.148 1.00 14.34 C ATOM 987 CD1 ILE A 61 19.639 9.431 -6.902 1.00 62.41 C ATOM 0 H ILE A 61 17.025 6.640 -9.787 1.00 14.44 H new ATOM 0 HA ILE A 61 18.273 7.198 -7.290 1.00 3.22 H new ATOM 0 HB ILE A 61 19.280 8.014 -9.329 1.00 23.23 H new ATOM 0 HG12 ILE A 61 19.576 10.363 -8.819 1.00 53.23 H new ATOM 0 HG13 ILE A 61 18.061 10.421 -7.940 1.00 53.23 H new ATOM 0 HG21 ILE A 61 18.157 9.646 -10.791 1.00 14.34 H new ATOM 0 HG22 ILE A 61 17.263 8.109 -10.712 1.00 14.34 H new ATOM 0 HG23 ILE A 61 16.688 9.522 -9.796 1.00 14.34 H new ATOM 0 HD11 ILE A 61 19.962 10.345 -6.405 1.00 62.41 H new ATOM 0 HD12 ILE A 61 18.971 8.876 -6.243 1.00 62.41 H new ATOM 0 HD13 ILE A 61 20.509 8.818 -7.136 1.00 62.41 H new ATOM 999 N TYR A 62 16.680 8.612 -6.017 1.00 44.43 N ATOM 1000 CA TYR A 62 15.721 9.372 -5.225 1.00 10.23 C ATOM 1001 C TYR A 62 16.427 10.432 -4.384 1.00 74.02 C ATOM 1002 O TYR A 62 17.430 10.153 -3.726 1.00 52.11 O ATOM 1003 CB TYR A 62 14.921 8.435 -4.318 1.00 3.32 C ATOM 1004 CG TYR A 62 13.935 9.153 -3.425 1.00 14.11 C ATOM 1005 CD1 TYR A 62 13.061 10.102 -3.943 1.00 63.52 C ATOM 1006 CD2 TYR A 62 13.876 8.884 -2.063 1.00 62.01 C ATOM 1007 CE1 TYR A 62 12.159 10.761 -3.131 1.00 75.52 C ATOM 1008 CE2 TYR A 62 12.976 9.537 -1.244 1.00 32.11 C ATOM 1009 CZ TYR A 62 12.119 10.474 -1.782 1.00 43.45 C ATOM 1010 OH TYR A 62 11.222 11.128 -0.969 1.00 51.15 O ATOM 0 H TYR A 62 17.459 8.228 -5.482 1.00 44.43 H new ATOM 0 HA TYR A 62 15.038 9.874 -5.911 1.00 10.23 H new ATOM 0 HB2 TYR A 62 14.382 7.717 -4.936 1.00 3.32 H new ATOM 0 HB3 TYR A 62 15.613 7.866 -3.697 1.00 3.32 H new ATOM 0 HD1 TYR A 62 13.088 10.328 -4.999 1.00 63.52 H new ATOM 0 HD2 TYR A 62 14.546 8.151 -1.637 1.00 62.01 H new ATOM 0 HE1 TYR A 62 11.489 11.497 -3.550 1.00 75.52 H new ATOM 0 HE2 TYR A 62 12.943 9.315 -0.188 1.00 32.11 H new ATOM 0 HH TYR A 62 10.613 10.476 -0.563 1.00 51.15 H new ATOM 1020 N LEU A 63 15.895 11.649 -4.411 1.00 10.02 N ATOM 1021 CA LEU A 63 16.472 12.753 -3.651 1.00 71.21 C ATOM 1022 C LEU A 63 15.521 13.212 -2.551 1.00 10.15 C ATOM 1023 O LEU A 63 14.301 13.116 -2.689 1.00 45.33 O ATOM 1024 CB LEU A 63 16.797 13.923 -4.581 1.00 61.12 C ATOM 1025 CG LEU A 63 17.383 13.554 -5.945 1.00 31.15 C ATOM 1026 CD1 LEU A 63 17.720 14.807 -6.738 1.00 14.13 C ATOM 1027 CD2 LEU A 63 18.617 12.680 -5.776 1.00 20.32 C ATOM 0 H LEU A 63 15.066 11.896 -4.951 1.00 10.02 H new ATOM 0 HA LEU A 63 17.392 12.400 -3.186 1.00 71.21 H new ATOM 0 HB2 LEU A 63 15.884 14.496 -4.743 1.00 61.12 H new ATOM 0 HB3 LEU A 63 17.501 14.581 -4.072 1.00 61.12 H new ATOM 0 HG LEU A 63 16.634 12.988 -6.500 1.00 31.15 H new ATOM 0 HD11 LEU A 63 18.136 14.525 -7.705 1.00 14.13 H new ATOM 0 HD12 LEU A 63 16.815 15.396 -6.890 1.00 14.13 H new ATOM 0 HD13 LEU A 63 18.451 15.400 -6.188 1.00 14.13 H new ATOM 0 HD21 LEU A 63 19.021 12.427 -6.756 1.00 20.32 H new ATOM 0 HD22 LEU A 63 19.370 13.220 -5.202 1.00 20.32 H new ATOM 0 HD23 LEU A 63 18.346 11.766 -5.248 1.00 20.32 H new ATOM 1039 N VAL A 64 16.087 13.713 -1.457 1.00 43.54 N ATOM 1040 CA VAL A 64 15.290 14.191 -0.334 1.00 1.31 C ATOM 1041 C VAL A 64 15.890 15.458 0.266 1.00 32.01 C ATOM 1042 O VAL A 64 17.108 15.579 0.397 1.00 60.40 O ATOM 1043 CB VAL A 64 15.173 13.120 0.767 1.00 42.40 C ATOM 1044 CG1 VAL A 64 14.191 13.563 1.841 1.00 41.33 C ATOM 1045 CG2 VAL A 64 14.756 11.785 0.169 1.00 52.41 C ATOM 0 H VAL A 64 17.095 13.798 -1.325 1.00 43.54 H new ATOM 0 HA VAL A 64 14.296 14.412 -0.723 1.00 1.31 H new ATOM 0 HB VAL A 64 16.150 12.994 1.233 1.00 42.40 H new ATOM 0 HG11 VAL A 64 14.122 12.794 2.610 1.00 41.33 H new ATOM 0 HG12 VAL A 64 14.538 14.494 2.289 1.00 41.33 H new ATOM 0 HG13 VAL A 64 13.209 13.719 1.394 1.00 41.33 H new ATOM 0 HG21 VAL A 64 14.678 11.040 0.961 1.00 52.41 H new ATOM 0 HG22 VAL A 64 13.790 11.893 -0.324 1.00 52.41 H new ATOM 0 HG23 VAL A 64 15.501 11.464 -0.559 1.00 52.41 H new ATOM 1055 N ASP A 65 15.026 16.400 0.630 1.00 64.25 N ATOM 1056 CA ASP A 65 15.470 17.658 1.218 1.00 44.22 C ATOM 1057 C ASP A 65 15.016 17.769 2.670 1.00 5.10 C ATOM 1058 O ASP A 65 13.829 17.649 2.972 1.00 34.40 O ATOM 1059 CB ASP A 65 14.933 18.841 0.411 1.00 72.23 C ATOM 1060 CG ASP A 65 13.618 18.524 -0.275 1.00 2.21 C ATOM 1061 OD1 ASP A 65 12.586 18.452 0.425 1.00 40.32 O ATOM 1062 OD2 ASP A 65 13.621 18.349 -1.511 1.00 44.11 O ATOM 0 H ASP A 65 14.015 16.316 0.528 1.00 64.25 H new ATOM 0 HA ASP A 65 16.560 17.677 1.194 1.00 44.22 H new ATOM 0 HB2 ASP A 65 14.798 19.697 1.072 1.00 72.23 H new ATOM 0 HB3 ASP A 65 15.670 19.131 -0.338 1.00 72.23 H new ATOM 1067 N THR A 66 15.970 17.999 3.567 1.00 24.32 N ATOM 1068 CA THR A 66 15.670 18.124 4.988 1.00 74.43 C ATOM 1069 C THR A 66 14.635 19.215 5.237 1.00 42.32 C ATOM 1070 O THR A 66 13.966 19.225 6.270 1.00 52.33 O ATOM 1071 CB THR A 66 16.937 18.437 5.805 1.00 41.11 C ATOM 1072 OG1 THR A 66 17.870 19.168 5.001 1.00 12.22 O ATOM 1073 CG2 THR A 66 17.587 17.157 6.307 1.00 23.15 C ATOM 0 H THR A 66 16.958 18.103 3.334 1.00 24.32 H new ATOM 0 HA THR A 66 15.267 17.164 5.312 1.00 74.43 H new ATOM 0 HB THR A 66 16.648 19.041 6.665 1.00 41.11 H new ATOM 0 HG1 THR A 66 18.672 19.364 5.528 1.00 12.22 H new ATOM 0 HG21 THR A 66 18.480 17.403 6.881 1.00 23.15 H new ATOM 0 HG22 THR A 66 16.885 16.617 6.942 1.00 23.15 H new ATOM 0 HG23 THR A 66 17.863 16.532 5.458 1.00 23.15 H new ATOM 1081 N SER A 67 14.509 20.133 4.284 1.00 40.14 N ATOM 1082 CA SER A 67 13.557 21.232 4.402 1.00 64.35 C ATOM 1083 C SER A 67 12.171 20.712 4.768 1.00 55.10 C ATOM 1084 O SER A 67 11.387 21.404 5.420 1.00 70.44 O ATOM 1085 CB SER A 67 13.490 22.019 3.091 1.00 31.33 C ATOM 1086 OG SER A 67 13.579 23.413 3.329 1.00 71.13 O ATOM 0 H SER A 67 15.054 20.138 3.422 1.00 40.14 H new ATOM 0 HA SER A 67 13.899 21.894 5.198 1.00 64.35 H new ATOM 0 HB2 SER A 67 14.301 21.706 2.434 1.00 31.33 H new ATOM 0 HB3 SER A 67 12.557 21.794 2.575 1.00 31.33 H new ATOM 0 HG SER A 67 13.536 23.894 2.476 1.00 71.13 H new ATOM 1092 N THR A 68 11.873 19.488 4.344 1.00 21.41 N ATOM 1093 CA THR A 68 10.581 18.874 4.625 1.00 3.24 C ATOM 1094 C THR A 68 10.697 17.832 5.732 1.00 70.35 C ATOM 1095 O THR A 68 9.743 17.588 6.469 1.00 24.24 O ATOM 1096 CB THR A 68 9.990 18.209 3.368 1.00 33.04 C ATOM 1097 OG1 THR A 68 10.970 17.365 2.753 1.00 35.05 O ATOM 1098 CG2 THR A 68 9.519 19.258 2.372 1.00 60.52 C ATOM 0 H THR A 68 12.510 18.902 3.804 1.00 21.41 H new ATOM 0 HA THR A 68 9.915 19.673 4.951 1.00 3.24 H new ATOM 0 HB THR A 68 9.133 17.608 3.671 1.00 33.04 H new ATOM 0 HG1 THR A 68 11.417 17.855 2.032 1.00 35.05 H new ATOM 0 HG21 THR A 68 9.105 18.765 1.492 1.00 60.52 H new ATOM 0 HG22 THR A 68 8.752 19.880 2.834 1.00 60.52 H new ATOM 0 HG23 THR A 68 10.362 19.882 2.075 1.00 60.52 H new ATOM 1106 N ASN A 69 11.872 17.220 5.841 1.00 33.31 N ATOM 1107 CA ASN A 69 12.112 16.203 6.858 1.00 33.34 C ATOM 1108 C ASN A 69 13.361 16.530 7.671 1.00 15.43 C ATOM 1109 O ASN A 69 14.357 15.808 7.643 1.00 20.14 O ATOM 1110 CB ASN A 69 12.260 14.826 6.208 1.00 71.22 C ATOM 1111 CG ASN A 69 13.405 14.776 5.215 1.00 72.15 C ATOM 1112 OD1 ASN A 69 13.350 15.401 4.155 1.00 31.23 O ATOM 1113 ND2 ASN A 69 14.450 14.030 5.553 1.00 34.53 N ATOM 0 H ASN A 69 12.672 17.411 5.238 1.00 33.31 H new ATOM 0 HA ASN A 69 11.255 16.190 7.531 1.00 33.34 H new ATOM 0 HB2 ASN A 69 12.422 14.077 6.983 1.00 71.22 H new ATOM 0 HB3 ASN A 69 11.331 14.565 5.701 1.00 71.22 H new ATOM 0 HD21 ASN A 69 15.250 13.958 4.924 1.00 34.53 H new ATOM 0 HD22 ASN A 69 14.453 13.529 6.442 1.00 34.53 H new ATOM 1120 N PRO A 70 13.307 17.646 8.414 1.00 42.11 N ATOM 1121 CA PRO A 70 14.425 18.095 9.250 1.00 73.12 C ATOM 1122 C PRO A 70 14.649 17.187 10.454 1.00 30.30 C ATOM 1123 O PRO A 70 15.780 16.804 10.751 1.00 10.14 O ATOM 1124 CB PRO A 70 13.989 19.490 9.706 1.00 71.43 C ATOM 1125 CG PRO A 70 12.501 19.461 9.644 1.00 73.42 C ATOM 1126 CD PRO A 70 12.152 18.555 8.495 1.00 14.21 C ATOM 0 HA PRO A 70 15.370 18.085 8.707 1.00 73.12 H new ATOM 0 HB2 PRO A 70 14.339 19.704 10.716 1.00 71.43 H new ATOM 0 HB3 PRO A 70 14.397 20.264 9.057 1.00 71.43 H new ATOM 0 HG2 PRO A 70 12.079 19.088 10.577 1.00 73.42 H new ATOM 0 HG3 PRO A 70 12.097 20.461 9.489 1.00 73.42 H new ATOM 0 HD2 PRO A 70 11.225 18.012 8.679 1.00 14.21 H new ATOM 0 HD3 PRO A 70 12.015 19.114 7.569 1.00 14.21 H new ATOM 1134 N GLU A 71 13.564 16.846 11.142 1.00 21.45 N ATOM 1135 CA GLU A 71 13.644 15.982 12.315 1.00 44.22 C ATOM 1136 C GLU A 71 14.283 14.642 11.961 1.00 53.11 C ATOM 1137 O GLU A 71 14.977 14.039 12.778 1.00 65.52 O ATOM 1138 CB GLU A 71 12.251 15.756 12.905 1.00 21.24 C ATOM 1139 CG GLU A 71 11.846 16.804 13.928 1.00 30.33 C ATOM 1140 CD GLU A 71 10.345 16.868 14.134 1.00 0.14 C ATOM 1141 OE1 GLU A 71 9.607 16.326 13.286 1.00 75.25 O ATOM 1142 OE2 GLU A 71 9.909 17.460 15.143 1.00 10.53 O ATOM 0 H GLU A 71 12.620 17.154 10.908 1.00 21.45 H new ATOM 0 HA GLU A 71 14.269 16.478 13.058 1.00 44.22 H new ATOM 0 HB2 GLU A 71 11.520 15.748 12.096 1.00 21.24 H new ATOM 0 HB3 GLU A 71 12.219 14.772 13.373 1.00 21.24 H new ATOM 0 HG2 GLU A 71 12.331 16.584 14.879 1.00 30.33 H new ATOM 0 HG3 GLU A 71 12.207 17.780 13.605 1.00 30.33 H new ATOM 1149 N ALA A 72 14.041 14.183 10.737 1.00 31.14 N ATOM 1150 CA ALA A 72 14.592 12.916 10.274 1.00 25.21 C ATOM 1151 C ALA A 72 16.099 12.856 10.503 1.00 11.32 C ATOM 1152 O ALA A 72 16.622 11.858 10.999 1.00 11.33 O ATOM 1153 CB ALA A 72 14.272 12.708 8.801 1.00 30.34 C ATOM 0 H ALA A 72 13.467 14.670 10.049 1.00 31.14 H new ATOM 0 HA ALA A 72 14.131 12.115 10.852 1.00 25.21 H new ATOM 0 HB1 ALA A 72 14.690 11.758 8.469 1.00 30.34 H new ATOM 0 HB2 ALA A 72 13.191 12.698 8.661 1.00 30.34 H new ATOM 0 HB3 ALA A 72 14.706 13.519 8.216 1.00 30.34 H new ATOM 1159 N ARG A 73 16.791 13.930 10.138 1.00 1.41 N ATOM 1160 CA ARG A 73 18.238 13.999 10.302 1.00 22.02 C ATOM 1161 C ARG A 73 18.640 13.653 11.733 1.00 30.10 C ATOM 1162 O ARG A 73 19.317 12.654 11.973 1.00 60.22 O ATOM 1163 CB ARG A 73 18.748 15.395 9.942 1.00 41.45 C ATOM 1164 CG ARG A 73 19.699 15.409 8.756 1.00 51.13 C ATOM 1165 CD ARG A 73 21.088 15.875 9.161 1.00 4.32 C ATOM 1166 NE ARG A 73 21.055 17.165 9.846 1.00 31.43 N ATOM 1167 CZ ARG A 73 22.108 17.703 10.451 1.00 41.22 C ATOM 1168 NH1 ARG A 73 23.272 17.067 10.454 1.00 15.34 N ATOM 1169 NH2 ARG A 73 21.999 18.881 11.053 1.00 72.41 N ATOM 0 H ARG A 73 16.373 14.765 9.727 1.00 1.41 H new ATOM 0 HA ARG A 73 18.689 13.270 9.629 1.00 22.02 H new ATOM 0 HB2 ARG A 73 17.896 16.038 9.721 1.00 41.45 H new ATOM 0 HB3 ARG A 73 19.254 15.822 10.808 1.00 41.45 H new ATOM 0 HG2 ARG A 73 19.761 14.409 8.326 1.00 51.13 H new ATOM 0 HG3 ARG A 73 19.305 16.066 7.980 1.00 51.13 H new ATOM 0 HD2 ARG A 73 21.544 15.130 9.813 1.00 4.32 H new ATOM 0 HD3 ARG A 73 21.718 15.951 8.274 1.00 4.32 H new ATOM 0 HE ARG A 73 20.175 17.681 9.860 1.00 31.43 H new ATOM 0 HH11 ARG A 73 23.360 16.162 9.991 1.00 15.34 H new ATOM 0 HH12 ARG A 73 24.079 17.482 10.919 1.00 15.34 H new ATOM 0 HH21 ARG A 73 21.106 19.374 11.051 1.00 72.41 H new ATOM 0 HH22 ARG A 73 22.808 19.293 11.517 1.00 72.41 H new ATOM 1183 N GLU A 74 18.218 14.486 12.679 1.00 40.41 N ATOM 1184 CA GLU A 74 18.536 14.268 14.085 1.00 14.43 C ATOM 1185 C GLU A 74 17.985 12.929 14.566 1.00 11.02 C ATOM 1186 O GLU A 74 18.520 12.324 15.495 1.00 35.13 O ATOM 1187 CB GLU A 74 17.968 15.403 14.941 1.00 73.30 C ATOM 1188 CG GLU A 74 19.001 16.067 15.835 1.00 23.20 C ATOM 1189 CD GLU A 74 19.103 17.561 15.599 1.00 43.15 C ATOM 1190 OE1 GLU A 74 18.965 17.987 14.433 1.00 53.42 O ATOM 1191 OE2 GLU A 74 19.322 18.304 16.578 1.00 32.11 O ATOM 0 H GLU A 74 17.656 15.317 12.497 1.00 40.41 H new ATOM 0 HA GLU A 74 19.621 14.253 14.188 1.00 14.43 H new ATOM 0 HB2 GLU A 74 17.529 16.156 14.286 1.00 73.30 H new ATOM 0 HB3 GLU A 74 17.162 15.011 15.561 1.00 73.30 H new ATOM 0 HG2 GLU A 74 18.744 15.885 16.878 1.00 23.20 H new ATOM 0 HG3 GLU A 74 19.974 15.608 15.662 1.00 23.20 H new ATOM 1198 N TRP A 75 16.913 12.473 13.927 1.00 4.45 N ATOM 1199 CA TRP A 75 16.289 11.206 14.290 1.00 22.10 C ATOM 1200 C TRP A 75 17.320 10.083 14.331 1.00 42.42 C ATOM 1201 O TRP A 75 17.211 9.157 15.134 1.00 24.23 O ATOM 1202 CB TRP A 75 15.178 10.859 13.298 1.00 61.22 C ATOM 1203 CG TRP A 75 14.138 9.943 13.868 1.00 73.23 C ATOM 1204 CD1 TRP A 75 13.129 10.280 14.724 1.00 11.42 C ATOM 1205 CD2 TRP A 75 14.006 8.538 13.623 1.00 12.31 C ATOM 1206 NE1 TRP A 75 12.378 9.170 15.027 1.00 52.32 N ATOM 1207 CE2 TRP A 75 12.895 8.089 14.363 1.00 14.12 C ATOM 1208 CE3 TRP A 75 14.717 7.617 12.849 1.00 34.04 C ATOM 1209 CZ2 TRP A 75 12.481 6.760 14.352 1.00 61.33 C ATOM 1210 CZ3 TRP A 75 14.305 6.298 12.839 1.00 21.22 C ATOM 1211 CH2 TRP A 75 13.195 5.879 13.586 1.00 45.24 C ATOM 0 H TRP A 75 16.458 12.962 13.156 1.00 4.45 H new ATOM 0 HA TRP A 75 15.858 11.314 15.285 1.00 22.10 H new ATOM 0 HB2 TRP A 75 14.698 11.779 12.964 1.00 61.22 H new ATOM 0 HB3 TRP A 75 15.620 10.392 12.417 1.00 61.22 H new ATOM 0 HD1 TRP A 75 12.948 11.273 15.107 1.00 11.42 H new ATOM 0 HE1 TRP A 75 11.567 9.154 15.646 1.00 52.32 H new ATOM 0 HE3 TRP A 75 15.573 7.930 12.269 1.00 34.04 H new ATOM 0 HZ2 TRP A 75 11.627 6.436 14.928 1.00 61.33 H new ATOM 0 HZ3 TRP A 75 14.848 5.577 12.245 1.00 21.22 H new ATOM 0 HH2 TRP A 75 12.898 4.841 13.556 1.00 45.24 H new ATOM 1222 N TYR A 76 18.320 10.172 13.461 1.00 51.43 N ATOM 1223 CA TYR A 76 19.369 9.162 13.396 1.00 4.35 C ATOM 1224 C TYR A 76 20.751 9.806 13.473 1.00 55.15 C ATOM 1225 O TYR A 76 21.770 9.131 13.340 1.00 43.05 O ATOM 1226 CB TYR A 76 19.244 8.348 12.108 1.00 64.13 C ATOM 1227 CG TYR A 76 20.137 7.128 12.073 1.00 1.12 C ATOM 1228 CD1 TYR A 76 20.922 6.849 10.961 1.00 74.31 C ATOM 1229 CD2 TYR A 76 20.196 6.255 13.152 1.00 34.40 C ATOM 1230 CE1 TYR A 76 21.738 5.735 10.924 1.00 4.04 C ATOM 1231 CE2 TYR A 76 21.010 5.140 13.125 1.00 64.51 C ATOM 1232 CZ TYR A 76 21.780 4.884 12.009 1.00 73.11 C ATOM 1233 OH TYR A 76 22.592 3.773 11.977 1.00 14.35 O ATOM 0 H TYR A 76 18.426 10.934 12.791 1.00 51.43 H new ATOM 0 HA TYR A 76 19.250 8.496 14.251 1.00 4.35 H new ATOM 0 HB2 TYR A 76 18.208 8.033 11.987 1.00 64.13 H new ATOM 0 HB3 TYR A 76 19.484 8.988 11.259 1.00 64.13 H new ATOM 0 HD1 TYR A 76 20.894 7.515 10.111 1.00 74.31 H new ATOM 0 HD2 TYR A 76 19.595 6.452 14.027 1.00 34.40 H new ATOM 0 HE1 TYR A 76 22.340 5.531 10.051 1.00 4.04 H new ATOM 0 HE2 TYR A 76 21.044 4.472 13.973 1.00 64.51 H new ATOM 0 HH TYR A 76 22.506 3.280 12.820 1.00 14.35 H new ATOM 1243 N ASN A 77 20.774 11.117 13.688 1.00 12.32 N ATOM 1244 CA ASN A 77 22.029 11.854 13.782 1.00 11.24 C ATOM 1245 C ASN A 77 22.924 11.560 12.583 1.00 60.34 C ATOM 1246 O ASN A 77 23.744 10.642 12.618 1.00 61.21 O ATOM 1247 CB ASN A 77 22.759 11.495 15.078 1.00 1.21 C ATOM 1248 CG ASN A 77 24.211 11.932 15.063 1.00 2.15 C ATOM 1249 OD1 ASN A 77 25.120 11.103 15.027 1.00 63.33 O ATOM 1250 ND2 ASN A 77 24.435 13.241 15.092 1.00 25.35 N ATOM 0 H ASN A 77 19.938 11.691 13.800 1.00 12.32 H new ATOM 0 HA ASN A 77 21.797 12.919 13.786 1.00 11.24 H new ATOM 0 HB2 ASN A 77 22.250 11.963 15.920 1.00 1.21 H new ATOM 0 HB3 ASN A 77 22.708 10.417 15.234 1.00 1.21 H new ATOM 0 HD21 ASN A 77 25.392 13.595 15.085 1.00 25.35 H new ATOM 0 HD22 ASN A 77 23.650 13.892 15.121 1.00 25.35 H new ATOM 1257 N ILE A 78 22.761 12.344 11.523 1.00 51.51 N ATOM 1258 CA ILE A 78 23.555 12.169 10.313 1.00 21.14 C ATOM 1259 C ILE A 78 24.667 13.209 10.230 1.00 52.31 C ATOM 1260 O ILE A 78 24.449 14.391 10.501 1.00 61.25 O ATOM 1261 CB ILE A 78 22.682 12.264 9.048 1.00 23.00 C ATOM 1262 CG1 ILE A 78 21.759 11.048 8.946 1.00 24.10 C ATOM 1263 CG2 ILE A 78 23.557 12.377 7.808 1.00 1.35 C ATOM 1264 CD1 ILE A 78 20.295 11.409 8.835 1.00 74.41 C ATOM 0 H ILE A 78 22.086 13.107 11.477 1.00 51.51 H new ATOM 0 HA ILE A 78 23.996 11.173 10.366 1.00 21.14 H new ATOM 0 HB ILE A 78 22.065 13.160 9.117 1.00 23.00 H new ATOM 0 HG12 ILE A 78 22.046 10.456 8.077 1.00 24.10 H new ATOM 0 HG13 ILE A 78 21.904 10.417 9.823 1.00 24.10 H new ATOM 0 HG21 ILE A 78 22.926 12.443 6.922 1.00 1.35 H new ATOM 0 HG22 ILE A 78 24.176 13.271 7.880 1.00 1.35 H new ATOM 0 HG23 ILE A 78 24.197 11.498 7.733 1.00 1.35 H new ATOM 0 HD11 ILE A 78 19.700 10.498 8.766 1.00 74.41 H new ATOM 0 HD12 ILE A 78 19.992 11.975 9.716 1.00 74.41 H new ATOM 0 HD13 ILE A 78 20.136 12.014 7.943 1.00 74.41 H new ATOM 1276 N THR A 79 25.861 12.763 9.851 1.00 34.15 N ATOM 1277 CA THR A 79 27.007 13.655 9.731 1.00 21.52 C ATOM 1278 C THR A 79 27.401 13.850 8.272 1.00 71.14 C ATOM 1279 O THR A 79 27.938 14.892 7.898 1.00 41.41 O ATOM 1280 CB THR A 79 28.222 13.116 10.511 1.00 15.41 C ATOM 1281 OG1 THR A 79 28.389 11.718 10.253 1.00 43.13 O ATOM 1282 CG2 THR A 79 28.049 13.344 12.005 1.00 1.03 C ATOM 0 H THR A 79 26.059 11.789 9.622 1.00 34.15 H new ATOM 0 HA THR A 79 26.708 14.613 10.155 1.00 21.52 H new ATOM 0 HB THR A 79 29.109 13.655 10.177 1.00 15.41 H new ATOM 0 HG1 THR A 79 29.164 11.384 10.751 1.00 43.13 H new ATOM 0 HG21 THR A 79 28.918 12.956 12.535 1.00 1.03 H new ATOM 0 HG22 THR A 79 27.951 14.412 12.201 1.00 1.03 H new ATOM 0 HG23 THR A 79 27.153 12.828 12.350 1.00 1.03 H new ATOM 1290 N SER A 80 27.130 12.841 7.450 1.00 32.31 N ATOM 1291 CA SER A 80 27.459 12.901 6.031 1.00 70.32 C ATOM 1292 C SER A 80 26.222 13.225 5.199 1.00 14.24 C ATOM 1293 O SER A 80 25.433 12.340 4.867 1.00 11.12 O ATOM 1294 CB SER A 80 28.064 11.573 5.569 1.00 12.43 C ATOM 1295 OG SER A 80 28.008 10.602 6.599 1.00 34.24 O ATOM 0 H SER A 80 26.683 11.972 7.743 1.00 32.31 H new ATOM 0 HA SER A 80 28.191 13.696 5.887 1.00 70.32 H new ATOM 0 HB2 SER A 80 27.526 11.210 4.693 1.00 12.43 H new ATOM 0 HB3 SER A 80 29.100 11.727 5.266 1.00 12.43 H new ATOM 0 HG SER A 80 28.838 10.081 6.603 1.00 34.24 H new ATOM 1301 N VAL A 81 26.058 14.502 4.866 1.00 22.33 N ATOM 1302 CA VAL A 81 24.918 14.945 4.073 1.00 61.22 C ATOM 1303 C VAL A 81 24.557 13.916 3.008 1.00 75.32 C ATOM 1304 O VAL A 81 23.438 13.404 2.958 1.00 53.34 O ATOM 1305 CB VAL A 81 25.201 16.296 3.390 1.00 13.32 C ATOM 1306 CG1 VAL A 81 24.098 17.295 3.706 1.00 1.35 C ATOM 1307 CG2 VAL A 81 26.558 16.835 3.817 1.00 31.20 C ATOM 0 H VAL A 81 26.701 15.248 5.133 1.00 22.33 H new ATOM 0 HA VAL A 81 24.080 15.062 4.760 1.00 61.22 H new ATOM 0 HB VAL A 81 25.220 16.141 2.311 1.00 13.32 H new ATOM 0 HG11 VAL A 81 24.315 18.244 3.215 1.00 1.35 H new ATOM 0 HG12 VAL A 81 23.144 16.910 3.346 1.00 1.35 H new ATOM 0 HG13 VAL A 81 24.044 17.448 4.784 1.00 1.35 H new ATOM 0 HG21 VAL A 81 26.741 17.790 3.325 1.00 31.20 H new ATOM 0 HG22 VAL A 81 26.570 16.976 4.898 1.00 31.20 H new ATOM 0 HG23 VAL A 81 27.336 16.126 3.535 1.00 31.20 H new ATOM 1317 N PRO A 82 25.525 13.603 2.134 1.00 22.34 N ATOM 1318 CA PRO A 82 25.333 12.631 1.054 1.00 23.31 C ATOM 1319 C PRO A 82 25.206 11.203 1.575 1.00 42.15 C ATOM 1320 O PRO A 82 26.142 10.408 1.474 1.00 54.32 O ATOM 1321 CB PRO A 82 26.602 12.782 0.211 1.00 23.35 C ATOM 1322 CG PRO A 82 27.626 13.304 1.159 1.00 24.42 C ATOM 1323 CD PRO A 82 26.883 14.173 2.135 1.00 52.32 C ATOM 0 HA PRO A 82 24.412 12.814 0.500 1.00 23.31 H new ATOM 0 HB2 PRO A 82 26.909 11.828 -0.217 1.00 23.35 H new ATOM 0 HB3 PRO A 82 26.446 13.469 -0.621 1.00 23.35 H new ATOM 0 HG2 PRO A 82 28.135 12.488 1.672 1.00 24.42 H new ATOM 0 HG3 PRO A 82 28.391 13.875 0.632 1.00 24.42 H new ATOM 0 HD2 PRO A 82 27.333 14.138 3.127 1.00 52.32 H new ATOM 0 HD3 PRO A 82 26.881 15.217 1.823 1.00 52.32 H new ATOM 1331 N THR A 83 24.042 10.882 2.132 1.00 44.44 N ATOM 1332 CA THR A 83 23.793 9.551 2.669 1.00 62.45 C ATOM 1333 C THR A 83 23.210 8.629 1.604 1.00 65.44 C ATOM 1334 O THR A 83 22.739 9.086 0.562 1.00 11.34 O ATOM 1335 CB THR A 83 22.831 9.600 3.870 1.00 2.54 C ATOM 1336 OG1 THR A 83 22.804 10.922 4.422 1.00 60.32 O ATOM 1337 CG2 THR A 83 23.253 8.607 4.942 1.00 35.34 C ATOM 0 H THR A 83 23.257 11.527 2.223 1.00 44.44 H new ATOM 0 HA THR A 83 24.755 9.159 2.999 1.00 62.45 H new ATOM 0 HB THR A 83 21.834 9.332 3.520 1.00 2.54 H new ATOM 0 HG1 THR A 83 23.721 11.226 4.587 1.00 60.32 H new ATOM 0 HG21 THR A 83 22.559 8.660 5.780 1.00 35.34 H new ATOM 0 HG22 THR A 83 23.245 7.599 4.527 1.00 35.34 H new ATOM 0 HG23 THR A 83 24.258 8.850 5.287 1.00 35.34 H new ATOM 1345 N PHE A 84 23.245 7.327 1.871 1.00 43.32 N ATOM 1346 CA PHE A 84 22.720 6.340 0.935 1.00 44.35 C ATOM 1347 C PHE A 84 21.892 5.286 1.663 1.00 10.21 C ATOM 1348 O PHE A 84 22.429 4.454 2.394 1.00 4.24 O ATOM 1349 CB PHE A 84 23.865 5.669 0.173 1.00 24.23 C ATOM 1350 CG PHE A 84 24.185 6.332 -1.136 1.00 0.11 C ATOM 1351 CD1 PHE A 84 25.132 7.341 -1.203 1.00 51.33 C ATOM 1352 CD2 PHE A 84 23.538 5.947 -2.299 1.00 22.50 C ATOM 1353 CE1 PHE A 84 25.429 7.953 -2.407 1.00 13.55 C ATOM 1354 CE2 PHE A 84 23.831 6.555 -3.505 1.00 21.30 C ATOM 1355 CZ PHE A 84 24.777 7.560 -3.559 1.00 14.23 C ATOM 0 H PHE A 84 23.632 6.931 2.728 1.00 43.32 H new ATOM 0 HA PHE A 84 22.074 6.857 0.225 1.00 44.35 H new ATOM 0 HB2 PHE A 84 24.757 5.670 0.799 1.00 24.23 H new ATOM 0 HB3 PHE A 84 23.606 4.626 -0.011 1.00 24.23 H new ATOM 0 HD1 PHE A 84 25.644 7.653 -0.305 1.00 51.33 H new ATOM 0 HD2 PHE A 84 22.796 5.163 -2.263 1.00 22.50 H new ATOM 0 HE1 PHE A 84 26.170 8.738 -2.446 1.00 13.55 H new ATOM 0 HE2 PHE A 84 23.321 6.245 -4.405 1.00 21.30 H new ATOM 0 HZ PHE A 84 25.006 8.037 -4.500 1.00 14.23 H new ATOM 1365 N VAL A 85 20.579 5.328 1.458 1.00 2.34 N ATOM 1366 CA VAL A 85 19.675 4.377 2.095 1.00 44.45 C ATOM 1367 C VAL A 85 19.008 3.478 1.061 1.00 71.54 C ATOM 1368 O VAL A 85 18.345 3.958 0.141 1.00 74.31 O ATOM 1369 CB VAL A 85 18.586 5.098 2.911 1.00 43.30 C ATOM 1370 CG1 VAL A 85 17.842 4.111 3.797 1.00 12.30 C ATOM 1371 CG2 VAL A 85 19.197 6.217 3.741 1.00 14.42 C ATOM 0 H VAL A 85 20.118 6.010 0.856 1.00 2.34 H new ATOM 0 HA VAL A 85 20.278 3.768 2.768 1.00 44.45 H new ATOM 0 HB VAL A 85 17.869 5.540 2.219 1.00 43.30 H new ATOM 0 HG11 VAL A 85 17.076 4.638 4.366 1.00 12.30 H new ATOM 0 HG12 VAL A 85 17.372 3.348 3.177 1.00 12.30 H new ATOM 0 HG13 VAL A 85 18.544 3.638 4.484 1.00 12.30 H new ATOM 0 HG21 VAL A 85 18.414 6.716 4.311 1.00 14.42 H new ATOM 0 HG22 VAL A 85 19.935 5.800 4.426 1.00 14.42 H new ATOM 0 HG23 VAL A 85 19.680 6.937 3.081 1.00 14.42 H new ATOM 1381 N ILE A 86 19.187 2.170 1.218 1.00 4.52 N ATOM 1382 CA ILE A 86 18.601 1.203 0.299 1.00 50.10 C ATOM 1383 C ILE A 86 17.415 0.488 0.937 1.00 54.13 C ATOM 1384 O ILE A 86 17.557 -0.179 1.961 1.00 43.12 O ATOM 1385 CB ILE A 86 19.636 0.155 -0.151 1.00 51.23 C ATOM 1386 CG1 ILE A 86 20.949 0.838 -0.540 1.00 71.35 C ATOM 1387 CG2 ILE A 86 19.092 -0.661 -1.314 1.00 52.12 C ATOM 1388 CD1 ILE A 86 22.077 -0.133 -0.814 1.00 14.35 C ATOM 0 H ILE A 86 19.733 1.756 1.973 1.00 4.52 H new ATOM 0 HA ILE A 86 18.260 1.762 -0.572 1.00 50.10 H new ATOM 0 HB ILE A 86 19.833 -0.521 0.681 1.00 51.23 H new ATOM 0 HG12 ILE A 86 20.783 1.449 -1.427 1.00 71.35 H new ATOM 0 HG13 ILE A 86 21.249 1.514 0.261 1.00 71.35 H new ATOM 0 HG21 ILE A 86 19.835 -1.397 -1.621 1.00 52.12 H new ATOM 0 HG22 ILE A 86 18.180 -1.172 -1.005 1.00 52.12 H new ATOM 0 HG23 ILE A 86 18.870 0.001 -2.151 1.00 52.12 H new ATOM 0 HD11 ILE A 86 22.976 0.421 -1.084 1.00 14.35 H new ATOM 0 HD12 ILE A 86 22.271 -0.727 0.079 1.00 14.35 H new ATOM 0 HD13 ILE A 86 21.797 -0.793 -1.635 1.00 14.35 H new ATOM 1400 N GLU A 87 16.244 0.631 0.322 1.00 4.23 N ATOM 1401 CA GLU A 87 15.033 -0.002 0.830 1.00 22.42 C ATOM 1402 C GLU A 87 14.574 -1.122 -0.100 1.00 13.42 C ATOM 1403 O GLU A 87 15.104 -1.289 -1.198 1.00 53.25 O ATOM 1404 CB GLU A 87 13.918 1.033 0.990 1.00 70.10 C ATOM 1405 CG GLU A 87 13.683 1.871 -0.255 1.00 53.23 C ATOM 1406 CD GLU A 87 12.257 1.776 -0.762 1.00 73.40 C ATOM 1407 OE1 GLU A 87 11.693 0.661 -0.738 1.00 14.52 O ATOM 1408 OE2 GLU A 87 11.705 2.814 -1.183 1.00 20.32 O ATOM 0 H GLU A 87 16.109 1.179 -0.528 1.00 4.23 H new ATOM 0 HA GLU A 87 15.260 -0.433 1.805 1.00 22.42 H new ATOM 0 HB2 GLU A 87 12.993 0.520 1.253 1.00 70.10 H new ATOM 0 HB3 GLU A 87 14.163 1.694 1.822 1.00 70.10 H new ATOM 0 HG2 GLU A 87 13.918 2.913 -0.037 1.00 53.23 H new ATOM 0 HG3 GLU A 87 14.366 1.548 -1.040 1.00 53.23 H new ATOM 1415 N LYS A 88 13.584 -1.887 0.349 1.00 44.32 N ATOM 1416 CA LYS A 88 13.051 -2.990 -0.441 1.00 63.22 C ATOM 1417 C LYS A 88 11.754 -3.516 0.165 1.00 70.14 C ATOM 1418 O LYS A 88 11.767 -4.198 1.188 1.00 24.42 O ATOM 1419 CB LYS A 88 14.078 -4.121 -0.534 1.00 44.10 C ATOM 1420 CG LYS A 88 13.831 -5.074 -1.690 1.00 72.14 C ATOM 1421 CD LYS A 88 12.992 -6.266 -1.261 1.00 22.13 C ATOM 1422 CE LYS A 88 11.535 -6.096 -1.662 1.00 60.12 C ATOM 1423 NZ LYS A 88 10.942 -7.372 -2.150 1.00 14.12 N ATOM 0 H LYS A 88 13.135 -1.763 1.256 1.00 44.32 H new ATOM 0 HA LYS A 88 12.839 -2.617 -1.443 1.00 63.22 H new ATOM 0 HB2 LYS A 88 15.073 -3.689 -0.637 1.00 44.10 H new ATOM 0 HB3 LYS A 88 14.070 -4.685 0.399 1.00 44.10 H new ATOM 0 HG2 LYS A 88 13.326 -4.544 -2.498 1.00 72.14 H new ATOM 0 HG3 LYS A 88 14.785 -5.423 -2.085 1.00 72.14 H new ATOM 0 HD2 LYS A 88 13.391 -7.174 -1.713 1.00 22.13 H new ATOM 0 HD3 LYS A 88 13.061 -6.390 -0.180 1.00 22.13 H new ATOM 0 HE2 LYS A 88 10.963 -5.733 -0.808 1.00 60.12 H new ATOM 0 HE3 LYS A 88 11.459 -5.338 -2.442 1.00 60.12 H new ATOM 0 HZ1 LYS A 88 9.948 -7.215 -2.413 1.00 14.12 H new ATOM 0 HZ2 LYS A 88 11.472 -7.706 -2.980 1.00 14.12 H new ATOM 0 HZ3 LYS A 88 10.991 -8.088 -1.397 1.00 14.12 H new ATOM 1437 N GLY A 89 10.634 -3.195 -0.476 1.00 11.11 N ATOM 1438 CA GLY A 89 9.344 -3.645 0.014 1.00 1.32 C ATOM 1439 C GLY A 89 8.712 -2.657 0.975 1.00 42.12 C ATOM 1440 O GLY A 89 7.511 -2.399 0.911 1.00 71.55 O ATOM 0 H GLY A 89 10.597 -2.632 -1.325 1.00 11.11 H new ATOM 0 HA2 GLY A 89 8.674 -3.805 -0.831 1.00 1.32 H new ATOM 0 HA3 GLY A 89 9.464 -4.607 0.513 1.00 1.32 H new ATOM 1444 N GLY A 90 9.524 -2.102 1.870 1.00 31.53 N ATOM 1445 CA GLY A 90 9.019 -1.145 2.837 1.00 73.21 C ATOM 1446 C GLY A 90 9.779 -1.189 4.148 1.00 53.23 C ATOM 1447 O GLY A 90 9.179 -1.305 5.216 1.00 62.31 O ATOM 0 H GLY A 90 10.522 -2.298 1.942 1.00 31.53 H new ATOM 0 HA2 GLY A 90 9.083 -0.141 2.417 1.00 73.21 H new ATOM 0 HA3 GLY A 90 7.964 -1.345 3.025 1.00 73.21 H new ATOM 1451 N GLU A 91 11.102 -1.097 4.066 1.00 4.40 N ATOM 1452 CA GLU A 91 11.945 -1.129 5.256 1.00 54.11 C ATOM 1453 C GLU A 91 13.420 -1.027 4.881 1.00 63.41 C ATOM 1454 O GLU A 91 13.822 -1.322 3.755 1.00 24.22 O ATOM 1455 CB GLU A 91 11.696 -2.413 6.049 1.00 32.42 C ATOM 1456 CG GLU A 91 10.937 -2.190 7.346 1.00 34.33 C ATOM 1457 CD GLU A 91 9.886 -3.254 7.598 1.00 71.43 C ATOM 1458 OE1 GLU A 91 10.187 -4.447 7.383 1.00 23.20 O ATOM 1459 OE2 GLU A 91 8.763 -2.895 8.009 1.00 51.25 O ATOM 0 H GLU A 91 11.613 -1.000 3.189 1.00 4.40 H new ATOM 0 HA GLU A 91 11.686 -0.271 5.877 1.00 54.11 H new ATOM 0 HB2 GLU A 91 11.137 -3.112 5.426 1.00 32.42 H new ATOM 0 HB3 GLU A 91 12.654 -2.882 6.274 1.00 32.42 H new ATOM 0 HG2 GLU A 91 11.642 -2.177 8.177 1.00 34.33 H new ATOM 0 HG3 GLU A 91 10.458 -1.211 7.319 1.00 34.33 H new ATOM 1466 N PRO A 92 14.248 -0.600 5.846 1.00 14.41 N ATOM 1467 CA PRO A 92 15.691 -0.449 5.642 1.00 44.00 C ATOM 1468 C PRO A 92 16.399 -1.792 5.495 1.00 42.53 C ATOM 1469 O PRO A 92 16.239 -2.684 6.329 1.00 45.05 O ATOM 1470 CB PRO A 92 16.157 0.264 6.914 1.00 51.32 C ATOM 1471 CG PRO A 92 15.144 -0.098 7.944 1.00 33.40 C ATOM 1472 CD PRO A 92 13.837 -0.231 7.211 1.00 3.44 C ATOM 0 HA PRO A 92 15.918 0.094 4.725 1.00 44.00 H new ATOM 0 HB2 PRO A 92 17.155 -0.063 7.208 1.00 51.32 H new ATOM 0 HB3 PRO A 92 16.205 1.343 6.768 1.00 51.32 H new ATOM 0 HG2 PRO A 92 15.409 -1.031 8.441 1.00 33.40 H new ATOM 0 HG3 PRO A 92 15.082 0.668 8.717 1.00 33.40 H new ATOM 0 HD2 PRO A 92 13.201 -0.994 7.659 1.00 3.44 H new ATOM 0 HD3 PRO A 92 13.273 0.702 7.223 1.00 3.44 H new ATOM 1480 N LEU A 93 17.182 -1.929 4.430 1.00 0.42 N ATOM 1481 CA LEU A 93 17.916 -3.163 4.174 1.00 74.21 C ATOM 1482 C LEU A 93 19.413 -2.961 4.385 1.00 14.12 C ATOM 1483 O LEU A 93 20.087 -3.807 4.970 1.00 23.21 O ATOM 1484 CB LEU A 93 17.651 -3.650 2.748 1.00 44.10 C ATOM 1485 CG LEU A 93 18.064 -5.090 2.443 1.00 22.42 C ATOM 1486 CD1 LEU A 93 17.352 -6.058 3.375 1.00 73.31 C ATOM 1487 CD2 LEU A 93 17.771 -5.433 0.990 1.00 41.13 C ATOM 0 H LEU A 93 17.325 -1.201 3.730 1.00 0.42 H new ATOM 0 HA LEU A 93 17.568 -3.917 4.880 1.00 74.21 H new ATOM 0 HB2 LEU A 93 16.585 -3.548 2.543 1.00 44.10 H new ATOM 0 HB3 LEU A 93 18.174 -2.989 2.057 1.00 44.10 H new ATOM 0 HG LEU A 93 19.138 -5.182 2.608 1.00 22.42 H new ATOM 0 HD11 LEU A 93 17.658 -7.078 3.143 1.00 73.31 H new ATOM 0 HD12 LEU A 93 17.613 -5.827 4.408 1.00 73.31 H new ATOM 0 HD13 LEU A 93 16.274 -5.964 3.243 1.00 73.31 H new ATOM 0 HD21 LEU A 93 18.072 -6.462 0.791 1.00 41.13 H new ATOM 0 HD22 LEU A 93 16.704 -5.323 0.798 1.00 41.13 H new ATOM 0 HD23 LEU A 93 18.328 -4.760 0.338 1.00 41.13 H new ATOM 1499 N GLY A 94 19.926 -1.832 3.906 1.00 13.42 N ATOM 1500 CA GLY A 94 21.339 -1.537 4.054 1.00 30.34 C ATOM 1501 C GLY A 94 21.592 -0.101 4.467 1.00 50.23 C ATOM 1502 O GLY A 94 20.669 0.608 4.868 1.00 63.42 O ATOM 0 H GLY A 94 19.388 -1.116 3.418 1.00 13.42 H new ATOM 0 HA2 GLY A 94 21.771 -2.207 4.798 1.00 30.34 H new ATOM 0 HA3 GLY A 94 21.849 -1.736 3.111 1.00 30.34 H new ATOM 1506 N GLU A 95 22.846 0.329 4.369 1.00 2.15 N ATOM 1507 CA GLU A 95 23.217 1.690 4.738 1.00 2.24 C ATOM 1508 C GLU A 95 24.623 2.023 4.248 1.00 64.30 C ATOM 1509 O GLU A 95 25.521 1.181 4.285 1.00 41.13 O ATOM 1510 CB GLU A 95 23.139 1.870 6.256 1.00 55.42 C ATOM 1511 CG GLU A 95 24.287 1.218 7.007 1.00 71.53 C ATOM 1512 CD GLU A 95 24.307 -0.290 6.846 1.00 73.22 C ATOM 1513 OE1 GLU A 95 25.307 -0.816 6.313 1.00 35.11 O ATOM 1514 OE2 GLU A 95 23.323 -0.944 7.252 1.00 44.22 O ATOM 0 H GLU A 95 23.621 -0.245 4.038 1.00 2.15 H new ATOM 0 HA GLU A 95 22.513 2.372 4.261 1.00 2.24 H new ATOM 0 HB2 GLU A 95 23.124 2.935 6.487 1.00 55.42 H new ATOM 0 HB3 GLU A 95 22.198 1.453 6.615 1.00 55.42 H new ATOM 0 HG2 GLU A 95 25.231 1.630 6.650 1.00 71.53 H new ATOM 0 HG3 GLU A 95 24.211 1.466 8.066 1.00 71.53 H new ATOM 1521 N VAL A 96 24.807 3.256 3.788 1.00 2.41 N ATOM 1522 CA VAL A 96 26.103 3.702 3.290 1.00 23.45 C ATOM 1523 C VAL A 96 26.290 5.199 3.507 1.00 24.03 C ATOM 1524 O VAL A 96 25.338 5.974 3.420 1.00 50.33 O ATOM 1525 CB VAL A 96 26.267 3.387 1.792 1.00 64.43 C ATOM 1526 CG1 VAL A 96 27.600 3.910 1.279 1.00 64.22 C ATOM 1527 CG2 VAL A 96 26.142 1.891 1.545 1.00 30.23 C ATOM 0 H VAL A 96 24.074 3.965 3.750 1.00 2.41 H new ATOM 0 HA VAL A 96 26.862 3.159 3.853 1.00 23.45 H new ATOM 0 HB VAL A 96 25.471 3.891 1.244 1.00 64.43 H new ATOM 0 HG11 VAL A 96 27.698 3.678 0.218 1.00 64.22 H new ATOM 0 HG12 VAL A 96 27.646 4.990 1.420 1.00 64.22 H new ATOM 0 HG13 VAL A 96 28.413 3.437 1.830 1.00 64.22 H new ATOM 0 HG21 VAL A 96 26.261 1.687 0.481 1.00 30.23 H new ATOM 0 HG22 VAL A 96 26.915 1.364 2.104 1.00 30.23 H new ATOM 0 HG23 VAL A 96 25.160 1.549 1.873 1.00 30.23 H new ATOM 1537 N LYS A 97 27.525 5.600 3.791 1.00 51.42 N ATOM 1538 CA LYS A 97 27.840 7.006 4.019 1.00 75.32 C ATOM 1539 C LYS A 97 29.214 7.354 3.457 1.00 24.41 C ATOM 1540 O LYS A 97 30.180 6.617 3.653 1.00 41.11 O ATOM 1541 CB LYS A 97 27.793 7.324 5.515 1.00 32.21 C ATOM 1542 CG LYS A 97 28.990 6.796 6.287 1.00 72.22 C ATOM 1543 CD LYS A 97 28.922 7.183 7.754 1.00 1.25 C ATOM 1544 CE LYS A 97 28.283 6.086 8.592 1.00 73.04 C ATOM 1545 NZ LYS A 97 29.277 5.404 9.466 1.00 42.35 N ATOM 0 H LYS A 97 28.324 4.971 3.869 1.00 51.42 H new ATOM 0 HA LYS A 97 27.093 7.608 3.502 1.00 75.32 H new ATOM 0 HB2 LYS A 97 27.734 8.404 5.647 1.00 32.21 H new ATOM 0 HB3 LYS A 97 26.882 6.901 5.939 1.00 32.21 H new ATOM 0 HG2 LYS A 97 29.032 5.710 6.198 1.00 72.22 H new ATOM 0 HG3 LYS A 97 29.908 7.187 5.849 1.00 72.22 H new ATOM 0 HD2 LYS A 97 29.927 7.386 8.124 1.00 1.25 H new ATOM 0 HD3 LYS A 97 28.350 8.104 7.862 1.00 1.25 H new ATOM 0 HE2 LYS A 97 27.492 6.514 9.208 1.00 73.04 H new ATOM 0 HE3 LYS A 97 27.815 5.353 7.935 1.00 73.04 H new ATOM 0 HZ1 LYS A 97 28.802 4.664 10.020 1.00 42.35 H new ATOM 0 HZ2 LYS A 97 30.019 4.974 8.878 1.00 42.35 H new ATOM 0 HZ3 LYS A 97 29.706 6.098 10.111 1.00 42.35 H new ATOM 1559 N GLY A 98 29.295 8.482 2.759 1.00 43.23 N ATOM 1560 CA GLY A 98 30.557 8.908 2.181 1.00 55.11 C ATOM 1561 C GLY A 98 30.568 8.799 0.669 1.00 31.01 C ATOM 1562 O GLY A 98 29.752 8.098 0.070 1.00 63.12 O ATOM 0 H GLY A 98 28.510 9.109 2.583 1.00 43.23 H new ATOM 0 HA2 GLY A 98 30.755 9.940 2.469 1.00 55.11 H new ATOM 0 HA3 GLY A 98 31.364 8.302 2.592 1.00 55.11 H new ATOM 1566 N PRO A 99 31.510 9.507 0.028 1.00 71.52 N ATOM 1567 CA PRO A 99 31.646 9.503 -1.432 1.00 11.33 C ATOM 1568 C PRO A 99 32.149 8.166 -1.964 1.00 61.11 C ATOM 1569 O PRO A 99 33.355 7.938 -2.056 1.00 44.04 O ATOM 1570 CB PRO A 99 32.676 10.605 -1.694 1.00 54.04 C ATOM 1571 CG PRO A 99 33.470 10.689 -0.437 1.00 32.12 C ATOM 1572 CD PRO A 99 32.515 10.364 0.678 1.00 20.24 C ATOM 0 HA PRO A 99 30.691 9.665 -1.931 1.00 11.33 H new ATOM 0 HB2 PRO A 99 33.309 10.360 -2.547 1.00 54.04 H new ATOM 0 HB3 PRO A 99 32.191 11.555 -1.920 1.00 54.04 H new ATOM 0 HG2 PRO A 99 34.303 9.987 -0.454 1.00 32.12 H new ATOM 0 HG3 PRO A 99 33.895 11.685 -0.309 1.00 32.12 H new ATOM 0 HD2 PRO A 99 33.015 9.847 1.497 1.00 20.24 H new ATOM 0 HD3 PRO A 99 32.065 11.264 1.097 1.00 20.24 H new ATOM 1580 N ASP A 100 31.218 7.285 -2.313 1.00 52.43 N ATOM 1581 CA ASP A 100 31.567 5.970 -2.838 1.00 43.52 C ATOM 1582 C ASP A 100 30.678 5.604 -4.022 1.00 41.24 C ATOM 1583 O ASP A 100 30.127 4.504 -4.081 1.00 2.54 O ATOM 1584 CB ASP A 100 31.441 4.910 -1.743 1.00 3.41 C ATOM 1585 CG ASP A 100 30.005 4.694 -1.310 1.00 32.45 C ATOM 1586 OD1 ASP A 100 29.265 5.692 -1.184 1.00 43.42 O ATOM 1587 OD2 ASP A 100 29.620 3.525 -1.097 1.00 12.14 O ATOM 0 H ASP A 100 30.215 7.458 -2.242 1.00 52.43 H new ATOM 0 HA ASP A 100 32.601 6.006 -3.181 1.00 43.52 H new ATOM 0 HB2 ASP A 100 31.854 3.968 -2.104 1.00 3.41 H new ATOM 0 HB3 ASP A 100 32.036 5.210 -0.881 1.00 3.41 H new ATOM 1592 N ILE A 101 30.542 6.533 -4.963 1.00 61.21 N ATOM 1593 CA ILE A 101 29.720 6.307 -6.145 1.00 51.23 C ATOM 1594 C ILE A 101 30.213 5.100 -6.936 1.00 2.12 C ATOM 1595 O ILE A 101 29.437 4.435 -7.621 1.00 73.43 O ATOM 1596 CB ILE A 101 29.709 7.541 -7.067 1.00 71.11 C ATOM 1597 CG1 ILE A 101 28.974 8.702 -6.393 1.00 71.55 C ATOM 1598 CG2 ILE A 101 29.061 7.200 -8.401 1.00 24.41 C ATOM 1599 CD1 ILE A 101 27.515 8.413 -6.115 1.00 64.02 C ATOM 0 H ILE A 101 30.990 7.449 -4.929 1.00 61.21 H new ATOM 0 HA ILE A 101 28.706 6.117 -5.792 1.00 51.23 H new ATOM 0 HB ILE A 101 30.739 7.846 -7.253 1.00 71.11 H new ATOM 0 HG12 ILE A 101 29.474 8.942 -5.455 1.00 71.55 H new ATOM 0 HG13 ILE A 101 29.047 9.585 -7.028 1.00 71.55 H new ATOM 0 HG21 ILE A 101 29.061 8.082 -9.041 1.00 24.41 H new ATOM 0 HG22 ILE A 101 29.623 6.401 -8.885 1.00 24.41 H new ATOM 0 HG23 ILE A 101 28.035 6.873 -8.234 1.00 24.41 H new ATOM 0 HD11 ILE A 101 27.057 9.279 -5.637 1.00 64.02 H new ATOM 0 HD12 ILE A 101 27.001 8.202 -7.053 1.00 64.02 H new ATOM 0 HD13 ILE A 101 27.435 7.549 -5.455 1.00 64.02 H new ATOM 1611 N ASP A 102 31.508 4.823 -6.834 1.00 63.42 N ATOM 1612 CA ASP A 102 32.106 3.693 -7.537 1.00 53.33 C ATOM 1613 C ASP A 102 31.865 2.392 -6.779 1.00 31.22 C ATOM 1614 O ASP A 102 31.483 1.380 -7.366 1.00 73.42 O ATOM 1615 CB ASP A 102 33.607 3.918 -7.725 1.00 52.42 C ATOM 1616 CG ASP A 102 33.928 4.622 -9.029 1.00 40.20 C ATOM 1617 OD1 ASP A 102 34.232 5.833 -8.991 1.00 13.21 O ATOM 1618 OD2 ASP A 102 33.877 3.962 -10.087 1.00 74.15 O ATOM 0 H ASP A 102 32.164 5.365 -6.272 1.00 63.42 H new ATOM 0 HA ASP A 102 31.633 3.615 -8.516 1.00 53.33 H new ATOM 0 HB2 ASP A 102 33.990 4.509 -6.893 1.00 52.42 H new ATOM 0 HB3 ASP A 102 34.122 2.958 -7.698 1.00 52.42 H new ATOM 1623 N LYS A 103 32.092 2.425 -5.470 1.00 42.11 N ATOM 1624 CA LYS A 103 31.900 1.249 -4.630 1.00 3.24 C ATOM 1625 C LYS A 103 30.417 0.938 -4.460 1.00 73.44 C ATOM 1626 O LYS A 103 30.044 -0.175 -4.086 1.00 24.23 O ATOM 1627 CB LYS A 103 32.546 1.465 -3.259 1.00 44.43 C ATOM 1628 CG LYS A 103 32.912 0.174 -2.548 1.00 74.24 C ATOM 1629 CD LYS A 103 33.687 0.441 -1.269 1.00 42.34 C ATOM 1630 CE LYS A 103 33.505 -0.683 -0.262 1.00 23.43 C ATOM 1631 NZ LYS A 103 32.393 -0.403 0.688 1.00 51.03 N ATOM 0 H LYS A 103 32.409 3.254 -4.968 1.00 42.11 H new ATOM 0 HA LYS A 103 32.378 0.401 -5.121 1.00 3.24 H new ATOM 0 HB2 LYS A 103 33.445 2.070 -3.382 1.00 44.43 H new ATOM 0 HB3 LYS A 103 31.862 2.035 -2.630 1.00 44.43 H new ATOM 0 HG2 LYS A 103 32.005 -0.384 -2.315 1.00 74.24 H new ATOM 0 HG3 LYS A 103 33.509 -0.451 -3.212 1.00 74.24 H new ATOM 0 HD2 LYS A 103 34.746 0.555 -1.501 1.00 42.34 H new ATOM 0 HD3 LYS A 103 33.354 1.381 -0.830 1.00 42.34 H new ATOM 0 HE2 LYS A 103 33.305 -1.615 -0.791 1.00 23.43 H new ATOM 0 HE3 LYS A 103 34.431 -0.825 0.295 1.00 23.43 H new ATOM 0 HZ1 LYS A 103 32.302 -1.193 1.358 1.00 51.03 H new ATOM 0 HZ2 LYS A 103 32.595 0.473 1.211 1.00 51.03 H new ATOM 0 HZ3 LYS A 103 31.504 -0.293 0.159 1.00 51.03 H new ATOM 1645 N LEU A 104 29.574 1.926 -4.740 1.00 31.40 N ATOM 1646 CA LEU A 104 28.130 1.756 -4.620 1.00 52.23 C ATOM 1647 C LEU A 104 27.640 0.617 -5.509 1.00 13.25 C ATOM 1648 O LEU A 104 26.609 0.003 -5.234 1.00 73.34 O ATOM 1649 CB LEU A 104 27.412 3.054 -4.993 1.00 53.32 C ATOM 1650 CG LEU A 104 25.889 3.044 -4.849 1.00 4.50 C ATOM 1651 CD1 LEU A 104 25.472 3.717 -3.550 1.00 71.24 C ATOM 1652 CD2 LEU A 104 25.236 3.730 -6.040 1.00 64.25 C ATOM 0 H LEU A 104 29.865 2.853 -5.051 1.00 31.40 H new ATOM 0 HA LEU A 104 27.903 1.507 -3.584 1.00 52.23 H new ATOM 0 HB2 LEU A 104 27.810 3.857 -4.373 1.00 53.32 H new ATOM 0 HB3 LEU A 104 27.658 3.298 -6.027 1.00 53.32 H new ATOM 0 HG LEU A 104 25.552 2.008 -4.823 1.00 4.50 H new ATOM 0 HD11 LEU A 104 24.385 3.701 -3.464 1.00 71.24 H new ATOM 0 HD12 LEU A 104 25.911 3.183 -2.707 1.00 71.24 H new ATOM 0 HD13 LEU A 104 25.821 4.750 -3.547 1.00 71.24 H new ATOM 0 HD21 LEU A 104 24.153 3.713 -5.920 1.00 64.25 H new ATOM 0 HD22 LEU A 104 25.579 4.763 -6.098 1.00 64.25 H new ATOM 0 HD23 LEU A 104 25.508 3.206 -6.956 1.00 64.25 H new ATOM 1664 N ARG A 105 28.386 0.340 -6.572 1.00 65.13 N ATOM 1665 CA ARG A 105 28.028 -0.726 -7.500 1.00 64.12 C ATOM 1666 C ARG A 105 28.218 -2.096 -6.854 1.00 54.53 C ATOM 1667 O ARG A 105 27.523 -3.053 -7.193 1.00 13.11 O ATOM 1668 CB ARG A 105 28.873 -0.629 -8.772 1.00 60.20 C ATOM 1669 CG ARG A 105 28.105 -0.964 -10.040 1.00 51.32 C ATOM 1670 CD ARG A 105 28.949 -0.725 -11.282 1.00 63.12 C ATOM 1671 NE ARG A 105 30.200 -1.478 -11.247 1.00 30.43 N ATOM 1672 CZ ARG A 105 30.280 -2.782 -11.488 1.00 33.21 C ATOM 1673 NH1 ARG A 105 29.187 -3.474 -11.781 1.00 10.41 N ATOM 1674 NH2 ARG A 105 31.454 -3.397 -11.437 1.00 25.13 N ATOM 0 H ARG A 105 29.243 0.839 -6.813 1.00 65.13 H new ATOM 0 HA ARG A 105 26.976 -0.609 -7.761 1.00 64.12 H new ATOM 0 HB2 ARG A 105 29.273 0.381 -8.856 1.00 60.20 H new ATOM 0 HB3 ARG A 105 29.725 -1.303 -8.684 1.00 60.20 H new ATOM 0 HG2 ARG A 105 27.787 -2.006 -10.010 1.00 51.32 H new ATOM 0 HG3 ARG A 105 27.201 -0.357 -10.090 1.00 51.32 H new ATOM 0 HD2 ARG A 105 28.380 -1.009 -12.167 1.00 63.12 H new ATOM 0 HD3 ARG A 105 29.169 0.339 -11.372 1.00 63.12 H new ATOM 0 HE ARG A 105 31.059 -0.975 -11.025 1.00 30.43 H new ATOM 0 HH11 ARG A 105 28.282 -3.005 -11.822 1.00 10.41 H new ATOM 0 HH12 ARG A 105 29.251 -4.475 -11.966 1.00 10.41 H new ATOM 0 HH21 ARG A 105 32.297 -2.869 -11.212 1.00 25.13 H new ATOM 0 HH22 ARG A 105 31.514 -4.398 -11.622 1.00 25.13 H new ATOM 1688 N GLU A 106 29.163 -2.180 -5.923 1.00 51.44 N ATOM 1689 CA GLU A 106 29.444 -3.432 -5.232 1.00 33.33 C ATOM 1690 C GLU A 106 28.762 -3.465 -3.867 1.00 13.10 C ATOM 1691 O GLU A 106 28.527 -4.534 -3.302 1.00 51.21 O ATOM 1692 CB GLU A 106 30.953 -3.621 -5.065 1.00 31.24 C ATOM 1693 CG GLU A 106 31.596 -2.599 -4.143 1.00 12.23 C ATOM 1694 CD GLU A 106 32.969 -3.028 -3.663 1.00 40.43 C ATOM 1695 OE1 GLU A 106 33.968 -2.639 -4.304 1.00 63.30 O ATOM 1696 OE2 GLU A 106 33.045 -3.751 -2.648 1.00 74.25 O ATOM 0 H GLU A 106 29.746 -1.396 -5.630 1.00 51.44 H new ATOM 0 HA GLU A 106 29.048 -4.248 -5.837 1.00 33.33 H new ATOM 0 HB2 GLU A 106 31.144 -4.621 -4.675 1.00 31.24 H new ATOM 0 HB3 GLU A 106 31.428 -3.564 -6.044 1.00 31.24 H new ATOM 0 HG2 GLU A 106 31.679 -1.646 -4.665 1.00 12.23 H new ATOM 0 HG3 GLU A 106 30.949 -2.435 -3.281 1.00 12.23 H new ATOM 1703 N THR A 107 28.446 -2.285 -3.341 1.00 61.32 N ATOM 1704 CA THR A 107 27.793 -2.177 -2.043 1.00 22.33 C ATOM 1705 C THR A 107 26.291 -2.410 -2.162 1.00 3.45 C ATOM 1706 O THR A 107 25.649 -2.881 -1.222 1.00 24.11 O ATOM 1707 CB THR A 107 28.039 -0.798 -1.403 1.00 53.54 C ATOM 1708 OG1 THR A 107 29.403 -0.405 -1.594 1.00 34.11 O ATOM 1709 CG2 THR A 107 27.716 -0.825 0.083 1.00 4.20 C ATOM 0 H THR A 107 28.632 -1.391 -3.795 1.00 61.32 H new ATOM 0 HA THR A 107 28.228 -2.947 -1.406 1.00 22.33 H new ATOM 0 HB THR A 107 27.382 -0.075 -1.887 1.00 53.54 H new ATOM 0 HG1 THR A 107 29.550 -0.180 -2.537 1.00 34.11 H new ATOM 0 HG21 THR A 107 27.898 0.160 0.513 1.00 4.20 H new ATOM 0 HG22 THR A 107 26.669 -1.095 0.223 1.00 4.20 H new ATOM 0 HG23 THR A 107 28.349 -1.560 0.580 1.00 4.20 H new ATOM 1717 N LEU A 108 25.736 -2.077 -3.321 1.00 50.15 N ATOM 1718 CA LEU A 108 24.308 -2.250 -3.564 1.00 31.23 C ATOM 1719 C LEU A 108 24.003 -3.670 -4.031 1.00 42.10 C ATOM 1720 O LEU A 108 22.884 -4.159 -3.875 1.00 2.14 O ATOM 1721 CB LEU A 108 23.821 -1.242 -4.607 1.00 23.45 C ATOM 1722 CG LEU A 108 23.815 -1.727 -6.057 1.00 23.13 C ATOM 1723 CD1 LEU A 108 22.491 -2.396 -6.390 1.00 52.25 C ATOM 1724 CD2 LEU A 108 24.085 -0.570 -7.007 1.00 51.41 C ATOM 0 H LEU A 108 26.253 -1.685 -4.108 1.00 50.15 H new ATOM 0 HA LEU A 108 23.782 -2.075 -2.626 1.00 31.23 H new ATOM 0 HB2 LEU A 108 22.809 -0.937 -4.343 1.00 23.45 H new ATOM 0 HB3 LEU A 108 24.449 -0.353 -4.545 1.00 23.45 H new ATOM 0 HG LEU A 108 24.610 -2.463 -6.178 1.00 23.13 H new ATOM 0 HD11 LEU A 108 22.505 -2.735 -7.426 1.00 52.25 H new ATOM 0 HD12 LEU A 108 22.339 -3.251 -5.731 1.00 52.25 H new ATOM 0 HD13 LEU A 108 21.678 -1.683 -6.252 1.00 52.25 H new ATOM 0 HD21 LEU A 108 24.077 -0.934 -8.035 1.00 51.41 H new ATOM 0 HD22 LEU A 108 23.312 0.189 -6.885 1.00 51.41 H new ATOM 0 HD23 LEU A 108 25.059 -0.135 -6.783 1.00 51.41 H new ATOM 1736 N ASP A 109 25.006 -4.327 -4.603 1.00 2.21 N ATOM 1737 CA ASP A 109 24.847 -5.692 -5.090 1.00 71.11 C ATOM 1738 C ASP A 109 24.830 -6.684 -3.931 1.00 75.03 C ATOM 1739 O ASP A 109 23.958 -7.550 -3.856 1.00 42.45 O ATOM 1740 CB ASP A 109 25.974 -6.044 -6.062 1.00 70.23 C ATOM 1741 CG ASP A 109 26.261 -7.532 -6.102 1.00 34.32 C ATOM 1742 OD1 ASP A 109 25.377 -8.296 -6.545 1.00 13.41 O ATOM 1743 OD2 ASP A 109 27.369 -7.934 -5.691 1.00 1.34 O ATOM 0 H ASP A 109 25.938 -3.936 -4.741 1.00 2.21 H new ATOM 0 HA ASP A 109 23.893 -5.756 -5.613 1.00 71.11 H new ATOM 0 HB2 ASP A 109 25.708 -5.701 -7.062 1.00 70.23 H new ATOM 0 HB3 ASP A 109 26.879 -5.510 -5.773 1.00 70.23 H new ATOM 1748 N GLU A 110 25.799 -6.552 -3.031 1.00 15.51 N ATOM 1749 CA GLU A 110 25.895 -7.438 -1.877 1.00 74.01 C ATOM 1750 C GLU A 110 24.585 -7.455 -1.093 1.00 44.14 C ATOM 1751 O GLU A 110 24.288 -8.414 -0.380 1.00 0.23 O ATOM 1752 CB GLU A 110 27.042 -7.001 -0.965 1.00 25.25 C ATOM 1753 CG GLU A 110 28.386 -6.925 -1.670 1.00 51.54 C ATOM 1754 CD GLU A 110 29.191 -8.202 -1.532 1.00 4.22 C ATOM 1755 OE1 GLU A 110 28.581 -9.264 -1.289 1.00 11.13 O ATOM 1756 OE2 GLU A 110 30.431 -8.139 -1.666 1.00 22.51 O ATOM 0 H GLU A 110 26.528 -5.840 -3.079 1.00 15.51 H new ATOM 0 HA GLU A 110 26.094 -8.446 -2.241 1.00 74.01 H new ATOM 0 HB2 GLU A 110 26.807 -6.024 -0.543 1.00 25.25 H new ATOM 0 HB3 GLU A 110 27.118 -7.699 -0.131 1.00 25.25 H new ATOM 0 HG2 GLU A 110 28.226 -6.714 -2.727 1.00 51.54 H new ATOM 0 HG3 GLU A 110 28.959 -6.093 -1.262 1.00 51.54 H new ATOM 1763 N LEU A 111 23.807 -6.387 -1.231 1.00 31.41 N ATOM 1764 CA LEU A 111 22.529 -6.278 -0.536 1.00 11.32 C ATOM 1765 C LEU A 111 21.376 -6.677 -1.450 1.00 74.35 C ATOM 1766 O LEU A 111 20.524 -7.485 -1.077 1.00 31.10 O ATOM 1767 CB LEU A 111 22.322 -4.849 -0.030 1.00 21.13 C ATOM 1768 CG LEU A 111 20.883 -4.459 0.309 1.00 40.32 C ATOM 1769 CD1 LEU A 111 20.855 -3.476 1.469 1.00 44.21 C ATOM 1770 CD2 LEU A 111 20.190 -3.867 -0.910 1.00 61.42 C ATOM 0 H LEU A 111 24.038 -5.585 -1.817 1.00 31.41 H new ATOM 0 HA LEU A 111 22.547 -6.960 0.314 1.00 11.32 H new ATOM 0 HB2 LEU A 111 22.935 -4.708 0.860 1.00 21.13 H new ATOM 0 HB3 LEU A 111 22.696 -4.159 -0.787 1.00 21.13 H new ATOM 0 HG LEU A 111 20.344 -5.358 0.608 1.00 40.32 H new ATOM 0 HD11 LEU A 111 19.823 -3.210 1.696 1.00 44.21 H new ATOM 0 HD12 LEU A 111 21.313 -3.935 2.346 1.00 44.21 H new ATOM 0 HD13 LEU A 111 21.410 -2.578 1.198 1.00 44.21 H new ATOM 0 HD21 LEU A 111 19.167 -3.595 -0.651 1.00 61.42 H new ATOM 0 HD22 LEU A 111 20.729 -2.979 -1.239 1.00 61.42 H new ATOM 0 HD23 LEU A 111 20.177 -4.603 -1.714 1.00 61.42 H new ATOM 1782 N LEU A 112 21.355 -6.109 -2.651 1.00 10.52 N ATOM 1783 CA LEU A 112 20.307 -6.407 -3.621 1.00 42.10 C ATOM 1784 C LEU A 112 20.290 -7.893 -3.964 1.00 63.04 C ATOM 1785 O LEU A 112 19.285 -8.418 -4.442 1.00 30.44 O ATOM 1786 CB LEU A 112 20.511 -5.581 -4.892 1.00 3.51 C ATOM 1787 CG LEU A 112 19.323 -5.522 -5.853 1.00 23.52 C ATOM 1788 CD1 LEU A 112 18.081 -5.017 -5.136 1.00 1.31 C ATOM 1789 CD2 LEU A 112 19.648 -4.640 -7.049 1.00 54.41 C ATOM 0 H LEU A 112 22.052 -5.439 -2.976 1.00 10.52 H new ATOM 0 HA LEU A 112 19.348 -6.145 -3.175 1.00 42.10 H new ATOM 0 HB2 LEU A 112 20.769 -4.562 -4.602 1.00 3.51 H new ATOM 0 HB3 LEU A 112 21.368 -5.985 -5.430 1.00 3.51 H new ATOM 0 HG LEU A 112 19.123 -6.530 -6.215 1.00 23.52 H new ATOM 0 HD11 LEU A 112 17.246 -4.982 -5.836 1.00 1.31 H new ATOM 0 HD12 LEU A 112 17.837 -5.689 -4.313 1.00 1.31 H new ATOM 0 HD13 LEU A 112 18.268 -4.017 -4.744 1.00 1.31 H new ATOM 0 HD21 LEU A 112 18.791 -4.610 -7.722 1.00 54.41 H new ATOM 0 HD22 LEU A 112 19.876 -3.631 -6.706 1.00 54.41 H new ATOM 0 HD23 LEU A 112 20.510 -5.047 -7.577 1.00 54.41 H new ATOM 1801 N ALA A 113 21.410 -8.565 -3.716 1.00 75.21 N ATOM 1802 CA ALA A 113 21.522 -9.992 -3.995 1.00 12.51 C ATOM 1803 C ALA A 113 20.384 -10.770 -3.343 1.00 12.50 C ATOM 1804 O ALA A 113 19.970 -11.817 -3.841 1.00 4.13 O ATOM 1805 CB ALA A 113 22.866 -10.519 -3.516 1.00 3.40 C ATOM 0 H ALA A 113 22.252 -8.144 -3.323 1.00 75.21 H new ATOM 0 HA ALA A 113 21.452 -10.133 -5.074 1.00 12.51 H new ATOM 0 HB1 ALA A 113 22.936 -11.585 -3.731 1.00 3.40 H new ATOM 0 HB2 ALA A 113 23.668 -9.992 -4.032 1.00 3.40 H new ATOM 0 HB3 ALA A 113 22.958 -10.358 -2.442 1.00 3.40 H new ATOM 1811 N ARG A 114 19.882 -10.251 -2.227 1.00 20.11 N ATOM 1812 CA ARG A 114 18.793 -10.899 -1.506 1.00 12.20 C ATOM 1813 C ARG A 114 17.576 -11.080 -2.408 1.00 73.03 C ATOM 1814 O ARG A 114 17.026 -12.177 -2.514 1.00 74.11 O ATOM 1815 CB ARG A 114 18.410 -10.078 -0.273 1.00 75.03 C ATOM 1816 CG ARG A 114 19.489 -10.044 0.796 1.00 63.41 C ATOM 1817 CD ARG A 114 18.919 -9.660 2.152 1.00 52.40 C ATOM 1818 NE ARG A 114 18.395 -10.816 2.874 1.00 62.23 N ATOM 1819 CZ ARG A 114 17.950 -10.762 4.124 1.00 20.51 C ATOM 1820 NH1 ARG A 114 17.965 -9.615 4.788 1.00 54.34 N ATOM 1821 NH2 ARG A 114 17.489 -11.858 4.713 1.00 35.30 N ATOM 0 H ARG A 114 20.212 -9.384 -1.803 1.00 20.11 H new ATOM 0 HA ARG A 114 19.137 -11.883 -1.187 1.00 12.20 H new ATOM 0 HB2 ARG A 114 18.185 -9.057 -0.582 1.00 75.03 H new ATOM 0 HB3 ARG A 114 17.497 -10.489 0.157 1.00 75.03 H new ATOM 0 HG2 ARG A 114 19.966 -11.022 0.864 1.00 63.41 H new ATOM 0 HG3 ARG A 114 20.263 -9.331 0.511 1.00 63.41 H new ATOM 0 HD2 ARG A 114 19.695 -9.182 2.749 1.00 52.40 H new ATOM 0 HD3 ARG A 114 18.124 -8.927 2.016 1.00 52.40 H new ATOM 0 HE ARG A 114 18.369 -11.714 2.392 1.00 62.23 H new ATOM 0 HH11 ARG A 114 18.319 -8.770 4.339 1.00 54.34 H new ATOM 0 HH12 ARG A 114 17.622 -9.577 5.748 1.00 54.34 H new ATOM 0 HH21 ARG A 114 17.476 -12.743 4.206 1.00 35.30 H new ATOM 0 HH22 ARG A 114 17.147 -11.816 5.673 1.00 35.30 H new ATOM 1835 N LEU A 115 17.160 -9.997 -3.056 1.00 72.51 N ATOM 1836 CA LEU A 115 16.007 -10.036 -3.949 1.00 61.15 C ATOM 1837 C LEU A 115 16.339 -10.787 -5.235 1.00 22.32 C ATOM 1838 O LEU A 115 15.705 -11.790 -5.560 1.00 31.44 O ATOM 1839 CB LEU A 115 15.546 -8.616 -4.280 1.00 54.32 C ATOM 1840 CG LEU A 115 14.048 -8.439 -4.535 1.00 3.30 C ATOM 1841 CD1 LEU A 115 13.703 -6.965 -4.687 1.00 21.42 C ATOM 1842 CD2 LEU A 115 13.622 -9.218 -5.770 1.00 74.42 C ATOM 0 H LEU A 115 17.604 -9.082 -2.980 1.00 72.51 H new ATOM 0 HA LEU A 115 15.201 -10.564 -3.439 1.00 61.15 H new ATOM 0 HB2 LEU A 115 15.834 -7.961 -3.458 1.00 54.32 H new ATOM 0 HB3 LEU A 115 16.087 -8.276 -5.163 1.00 54.32 H new ATOM 0 HG LEU A 115 13.504 -8.832 -3.676 1.00 3.30 H new ATOM 0 HD11 LEU A 115 12.633 -6.858 -4.868 1.00 21.42 H new ATOM 0 HD12 LEU A 115 13.972 -6.432 -3.775 1.00 21.42 H new ATOM 0 HD13 LEU A 115 14.257 -6.547 -5.528 1.00 21.42 H new ATOM 0 HD21 LEU A 115 12.554 -9.081 -5.936 1.00 74.42 H new ATOM 0 HD22 LEU A 115 14.174 -8.855 -6.637 1.00 74.42 H new ATOM 0 HD23 LEU A 115 13.833 -10.277 -5.623 1.00 74.42 H new ATOM 1854 N GLU A 116 17.339 -10.296 -5.960 1.00 52.42 N ATOM 1855 CA GLU A 116 17.756 -10.922 -7.209 1.00 74.13 C ATOM 1856 C GLU A 116 18.311 -12.321 -6.957 1.00 43.24 C ATOM 1857 O GLU A 116 18.019 -13.258 -7.699 1.00 61.12 O ATOM 1858 CB GLU A 116 18.809 -10.062 -7.911 1.00 14.32 C ATOM 1859 CG GLU A 116 19.230 -10.601 -9.267 1.00 52.14 C ATOM 1860 CD GLU A 116 20.641 -11.156 -9.262 1.00 41.42 C ATOM 1861 OE1 GLU A 116 20.959 -11.959 -8.360 1.00 74.24 O ATOM 1862 OE2 GLU A 116 21.428 -10.786 -10.159 1.00 33.22 O ATOM 0 H GLU A 116 17.875 -9.467 -5.704 1.00 52.42 H new ATOM 0 HA GLU A 116 16.880 -11.007 -7.853 1.00 74.13 H new ATOM 0 HB2 GLU A 116 18.417 -9.053 -8.037 1.00 14.32 H new ATOM 0 HB3 GLU A 116 19.688 -9.985 -7.271 1.00 14.32 H new ATOM 0 HG2 GLU A 116 18.537 -11.384 -9.574 1.00 52.14 H new ATOM 0 HG3 GLU A 116 19.159 -9.805 -10.008 1.00 52.14 H new TER 1869 GLU A 116