USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 834 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 59 SER OG : rot 97:sc= 0.065 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.0779 USER MOD Set 2.1: A 27 TYR OH : rot 163:sc= -0.291 USER MOD Set 2.2: A 51 GLN : amide:sc= -0.217 K(o=-0.51,f=-1.9) USER MOD Set 3.1: A 16 ASN : amide:sc= 0.723 K(o=2.3,f=3.3) USER MOD Set 3.2: A 18 ASN : amide:sc= 0.248 K(o=2.3,f=4) USER MOD Set 3.3: A 56 SER OG : rot 60:sc= -0.0865 USER MOD Set 3.4: A 58 THR OG1 : rot 180:sc= 0.904 USER MOD Set 3.5: A 79 TYR OH : rot 25:sc= 0.52 USER MOD Set 4.1: A 13 GLN : amide:sc= -2.79! K(o=-5.1!,f=-0.72) USER MOD Set 4.2: A 15 GLN : amide:sc= -2.31! K(o=-5.1!,f=-0.77) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= 1.05 (180deg=0.212) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-0.04) USER MOD Single : A 5 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 7 HIS : no HE2:sc= 0.0567 K(o=0.057,f=-0.59) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0845 K(o=-0.085,f=-3.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.087) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 46:sc= -0.242 USER MOD Single : A 28 THR OG1 : rot 64:sc= 0.271 USER MOD Single : A 29 TYR OH : rot -81:sc= 0.704 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -34:sc= 0.254 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.575 (180deg=0.423) USER MOD Single : A 42 ASN : amide:sc= -0.735 X(o=-0.73,f=-0.76) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.228 (180deg=0.152) USER MOD Single : A 47 TYR OH : rot 158:sc= 0.00375 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0.834 (180deg=0.696) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -160:sc= -0.426 USER MOD Single : A 64 THR OG1 : rot -52:sc= -0.311 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.0431 (180deg=-0.32) USER MOD Single : A 70 LYS NZ :NH3+ -125:sc= -0.596 (180deg=-1.42!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 21:sc= -0.635 USER MOD Single : A 85 ASN : amide:sc= -1.58 K(o=-1.6,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.413 K(o=-0.41,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.110 29.751 -7.031 1.00 22.12 N ATOM 2 CA MET A 1 -6.839 29.040 -7.301 1.00 3.01 C ATOM 3 C MET A 1 -6.915 28.332 -8.668 1.00 24.40 C ATOM 4 O MET A 1 -7.999 27.922 -9.105 1.00 12.10 O ATOM 5 CB MET A 1 -6.521 28.029 -6.164 1.00 53.14 C ATOM 6 CG MET A 1 -7.551 26.897 -5.983 1.00 22.33 C ATOM 7 SD MET A 1 -9.196 27.502 -5.537 1.00 44.41 S ATOM 8 CE MET A 1 -10.136 25.976 -5.450 1.00 75.12 C ATOM 0 H1 MET A 1 -7.918 30.605 -6.469 1.00 22.12 H new ATOM 0 H2 MET A 1 -8.554 30.022 -7.931 1.00 22.12 H new ATOM 0 H3 MET A 1 -8.752 29.126 -6.502 1.00 22.12 H new ATOM 0 HA MET A 1 -6.028 29.767 -7.332 1.00 3.01 H new ATOM 0 HB2 MET A 1 -5.546 27.583 -6.359 1.00 53.14 H new ATOM 0 HB3 MET A 1 -6.439 28.577 -5.225 1.00 53.14 H new ATOM 0 HG2 MET A 1 -7.619 26.324 -6.908 1.00 22.33 H new ATOM 0 HG3 MET A 1 -7.199 26.214 -5.210 1.00 22.33 H new ATOM 0 HE1 MET A 1 -11.169 26.200 -5.184 1.00 75.12 H new ATOM 0 HE2 MET A 1 -10.111 25.477 -6.419 1.00 75.12 H new ATOM 0 HE3 MET A 1 -9.700 25.323 -4.694 1.00 75.12 H new ATOM 20 N HIS A 2 -5.762 28.205 -9.343 1.00 33.23 N ATOM 21 CA HIS A 2 -5.668 27.532 -10.646 1.00 53.45 C ATOM 22 C HIS A 2 -5.539 26.010 -10.433 1.00 0.44 C ATOM 23 O HIS A 2 -4.441 25.501 -10.167 1.00 72.41 O ATOM 24 CB HIS A 2 -4.473 28.090 -11.457 1.00 54.32 C ATOM 25 CG HIS A 2 -4.311 27.460 -12.811 1.00 53.24 C ATOM 26 ND1 HIS A 2 -3.325 26.545 -13.098 1.00 74.14 N ATOM 27 CD2 HIS A 2 -5.038 27.593 -13.944 1.00 24.40 C ATOM 28 CE1 HIS A 2 -3.447 26.152 -14.345 1.00 31.31 C ATOM 29 NE2 HIS A 2 -4.478 26.775 -14.884 1.00 42.15 N ATOM 0 H HIS A 2 -4.871 28.565 -9.001 1.00 33.23 H new ATOM 0 HA HIS A 2 -6.574 27.725 -11.220 1.00 53.45 H new ATOM 0 HB2 HIS A 2 -4.600 29.166 -11.580 1.00 54.32 H new ATOM 0 HB3 HIS A 2 -3.557 27.941 -10.885 1.00 54.32 H new ATOM 0 HD2 HIS A 2 -5.901 28.228 -14.080 1.00 24.40 H new ATOM 0 HE1 HIS A 2 -2.810 25.438 -14.846 1.00 31.31 H new ATOM 0 HE2 HIS A 2 -4.803 26.664 -15.844 1.00 42.15 H new ATOM 38 N HIS A 3 -6.682 25.306 -10.500 1.00 54.13 N ATOM 39 CA HIS A 3 -6.735 23.840 -10.369 1.00 62.14 C ATOM 40 C HIS A 3 -6.250 23.193 -11.682 1.00 0.14 C ATOM 41 O HIS A 3 -6.710 23.557 -12.773 1.00 22.04 O ATOM 42 CB HIS A 3 -8.173 23.368 -10.000 1.00 5.54 C ATOM 43 CG HIS A 3 -8.236 21.941 -9.489 1.00 33.42 C ATOM 44 ND1 HIS A 3 -8.495 21.632 -8.170 1.00 50.02 N ATOM 45 CD2 HIS A 3 -8.061 20.750 -10.114 1.00 4.42 C ATOM 46 CE1 HIS A 3 -8.473 20.328 -8.010 1.00 73.20 C ATOM 47 NE2 HIS A 3 -8.216 19.770 -9.175 1.00 21.32 N ATOM 0 H HIS A 3 -7.595 25.737 -10.646 1.00 54.13 H new ATOM 0 HA HIS A 3 -6.076 23.526 -9.559 1.00 62.14 H new ATOM 0 HB2 HIS A 3 -8.580 24.035 -9.240 1.00 5.54 H new ATOM 0 HB3 HIS A 3 -8.812 23.458 -10.879 1.00 5.54 H new ATOM 0 HD2 HIS A 3 -7.840 20.603 -11.161 1.00 4.42 H new ATOM 0 HE1 HIS A 3 -8.638 19.803 -7.081 1.00 73.20 H new ATOM 0 HE2 HIS A 3 -8.144 18.767 -9.348 1.00 21.32 H new ATOM 56 N HIS A 4 -5.317 22.239 -11.553 1.00 54.52 N ATOM 57 CA HIS A 4 -4.685 21.532 -12.681 1.00 24.53 C ATOM 58 C HIS A 4 -4.058 20.229 -12.147 1.00 53.03 C ATOM 59 O HIS A 4 -3.867 20.089 -10.934 1.00 73.00 O ATOM 60 CB HIS A 4 -3.626 22.464 -13.354 1.00 62.21 C ATOM 61 CG HIS A 4 -2.937 21.904 -14.579 1.00 34.01 C ATOM 62 ND1 HIS A 4 -3.520 21.884 -15.828 1.00 55.22 N ATOM 63 CD2 HIS A 4 -1.703 21.363 -14.743 1.00 4.43 C ATOM 64 CE1 HIS A 4 -2.677 21.358 -16.700 1.00 61.25 C ATOM 65 NE2 HIS A 4 -1.573 21.028 -16.060 1.00 72.43 N ATOM 0 H HIS A 4 -4.972 21.930 -10.644 1.00 54.52 H new ATOM 0 HA HIS A 4 -5.419 21.274 -13.444 1.00 24.53 H new ATOM 0 HB2 HIS A 4 -4.116 23.397 -13.631 1.00 62.21 H new ATOM 0 HB3 HIS A 4 -2.865 22.711 -12.614 1.00 62.21 H new ATOM 0 HD2 HIS A 4 -0.960 21.223 -13.972 1.00 4.43 H new ATOM 0 HE1 HIS A 4 -2.861 21.222 -17.755 1.00 61.25 H new ATOM 0 HE2 HIS A 4 -0.753 20.592 -16.481 1.00 72.43 H new ATOM 74 N HIS A 5 -3.809 19.254 -13.040 1.00 12.34 N ATOM 75 CA HIS A 5 -3.055 18.024 -12.710 1.00 53.12 C ATOM 76 C HIS A 5 -1.716 18.028 -13.467 1.00 63.41 C ATOM 77 O HIS A 5 -1.679 17.843 -14.690 1.00 4.02 O ATOM 78 CB HIS A 5 -3.861 16.729 -13.037 1.00 32.40 C ATOM 79 CG HIS A 5 -5.023 16.448 -12.112 1.00 24.34 C ATOM 80 ND1 HIS A 5 -6.001 15.514 -12.394 1.00 30.50 N ATOM 81 CD2 HIS A 5 -5.334 16.943 -10.890 1.00 35.33 C ATOM 82 CE1 HIS A 5 -6.858 15.460 -11.395 1.00 73.41 C ATOM 83 NE2 HIS A 5 -6.476 16.316 -10.474 1.00 31.34 N ATOM 0 H HIS A 5 -4.123 19.293 -14.010 1.00 12.34 H new ATOM 0 HA HIS A 5 -2.874 18.020 -11.635 1.00 53.12 H new ATOM 0 HB2 HIS A 5 -4.238 16.802 -14.057 1.00 32.40 H new ATOM 0 HB3 HIS A 5 -3.180 15.878 -13.009 1.00 32.40 H new ATOM 0 HD2 HIS A 5 -4.782 17.694 -10.345 1.00 35.33 H new ATOM 0 HE1 HIS A 5 -7.727 14.821 -11.342 1.00 73.41 H new ATOM 0 HE2 HIS A 5 -6.955 16.486 -9.590 1.00 31.34 H new ATOM 92 N HIS A 6 -0.630 18.277 -12.726 1.00 43.22 N ATOM 93 CA HIS A 6 0.744 18.276 -13.246 1.00 22.34 C ATOM 94 C HIS A 6 1.590 17.353 -12.367 1.00 14.31 C ATOM 95 O HIS A 6 1.542 17.462 -11.131 1.00 14.34 O ATOM 96 CB HIS A 6 1.334 19.711 -13.257 1.00 43.11 C ATOM 97 CG HIS A 6 2.704 19.821 -13.882 1.00 64.53 C ATOM 98 ND1 HIS A 6 3.824 20.234 -13.191 1.00 13.44 N ATOM 99 CD2 HIS A 6 3.120 19.599 -15.155 1.00 2.03 C ATOM 100 CE1 HIS A 6 4.856 20.269 -14.012 1.00 75.52 C ATOM 101 NE2 HIS A 6 4.455 19.883 -15.204 1.00 33.23 N ATOM 0 H HIS A 6 -0.682 18.489 -11.730 1.00 43.22 H new ATOM 0 HA HIS A 6 0.746 17.916 -14.275 1.00 22.34 H new ATOM 0 HB2 HIS A 6 0.650 20.367 -13.795 1.00 43.11 H new ATOM 0 HB3 HIS A 6 1.386 20.076 -12.231 1.00 43.11 H new ATOM 0 HD2 HIS A 6 2.508 19.260 -15.978 1.00 2.03 H new ATOM 0 HE1 HIS A 6 5.861 20.565 -13.750 1.00 75.52 H new ATOM 0 HE2 HIS A 6 5.046 19.808 -16.032 1.00 33.23 H new ATOM 110 N HIS A 7 2.347 16.445 -13.008 1.00 33.34 N ATOM 111 CA HIS A 7 3.211 15.484 -12.312 1.00 74.20 C ATOM 112 C HIS A 7 4.427 16.219 -11.690 1.00 11.40 C ATOM 113 O HIS A 7 5.512 16.294 -12.287 1.00 41.21 O ATOM 114 CB HIS A 7 3.627 14.355 -13.288 1.00 62.01 C ATOM 115 CG HIS A 7 4.461 13.252 -12.690 1.00 33.12 C ATOM 116 ND1 HIS A 7 3.937 12.288 -11.857 1.00 5.20 N ATOM 117 CD2 HIS A 7 5.783 12.962 -12.811 1.00 12.00 C ATOM 118 CE1 HIS A 7 4.888 11.445 -11.515 1.00 5.03 C ATOM 119 NE2 HIS A 7 6.015 11.833 -12.079 1.00 24.52 N ATOM 0 H HIS A 7 2.375 16.359 -14.024 1.00 33.34 H new ATOM 0 HA HIS A 7 2.669 15.017 -11.490 1.00 74.20 H new ATOM 0 HB2 HIS A 7 2.724 13.915 -13.712 1.00 62.01 H new ATOM 0 HB3 HIS A 7 4.183 14.799 -14.114 1.00 62.01 H new ATOM 0 HD1 HIS A 7 2.965 12.236 -11.553 1.00 5.20 H new ATOM 0 HD2 HIS A 7 6.513 13.520 -13.379 1.00 12.00 H new ATOM 0 HE1 HIS A 7 4.766 10.581 -10.879 1.00 5.03 H new ATOM 128 N ARG A 8 4.182 16.791 -10.503 1.00 11.12 N ATOM 129 CA ARG A 8 5.125 17.652 -9.766 1.00 1.05 C ATOM 130 C ARG A 8 4.507 18.043 -8.403 1.00 52.34 C ATOM 131 O ARG A 8 5.221 18.452 -7.482 1.00 35.41 O ATOM 132 CB ARG A 8 5.491 18.932 -10.575 1.00 21.22 C ATOM 133 CG ARG A 8 6.643 19.777 -9.976 1.00 54.33 C ATOM 134 CD ARG A 8 7.989 19.026 -9.953 1.00 31.43 C ATOM 135 NE ARG A 8 9.052 19.804 -9.298 1.00 11.15 N ATOM 136 CZ ARG A 8 10.338 19.418 -9.185 1.00 12.34 C ATOM 137 NH1 ARG A 8 10.749 18.255 -9.696 1.00 20.10 N ATOM 138 NH2 ARG A 8 11.199 20.202 -8.551 1.00 53.42 N ATOM 0 H ARG A 8 3.297 16.665 -10.012 1.00 11.12 H new ATOM 0 HA ARG A 8 6.046 17.090 -9.608 1.00 1.05 H new ATOM 0 HB2 ARG A 8 5.765 18.637 -11.588 1.00 21.22 H new ATOM 0 HB3 ARG A 8 4.603 19.560 -10.655 1.00 21.22 H new ATOM 0 HG2 ARG A 8 6.754 20.693 -10.556 1.00 54.33 H new ATOM 0 HG3 ARG A 8 6.380 20.072 -8.960 1.00 54.33 H new ATOM 0 HD2 ARG A 8 7.864 18.076 -9.433 1.00 31.43 H new ATOM 0 HD3 ARG A 8 8.290 18.793 -10.974 1.00 31.43 H new ATOM 0 HE ARG A 8 8.795 20.707 -8.898 1.00 11.15 H new ATOM 0 HH11 ARG A 8 10.087 17.648 -10.179 1.00 20.10 H new ATOM 0 HH12 ARG A 8 11.725 17.974 -9.604 1.00 20.10 H new ATOM 0 HH21 ARG A 8 10.886 21.088 -8.154 1.00 53.42 H new ATOM 0 HH22 ARG A 8 12.175 19.919 -8.460 1.00 53.42 H new ATOM 152 N SER A 9 3.175 17.911 -8.293 1.00 44.03 N ATOM 153 CA SER A 9 2.418 18.174 -7.052 1.00 65.44 C ATOM 154 C SER A 9 2.572 16.985 -6.068 1.00 11.14 C ATOM 155 O SER A 9 3.633 16.363 -6.033 1.00 22.25 O ATOM 156 CB SER A 9 0.952 18.420 -7.451 1.00 53.21 C ATOM 157 OG SER A 9 0.869 19.507 -8.359 1.00 30.53 O ATOM 0 H SER A 9 2.584 17.616 -9.070 1.00 44.03 H new ATOM 0 HA SER A 9 2.799 19.053 -6.532 1.00 65.44 H new ATOM 0 HB2 SER A 9 0.536 17.522 -7.908 1.00 53.21 H new ATOM 0 HB3 SER A 9 0.356 18.631 -6.563 1.00 53.21 H new ATOM 0 HG SER A 9 -0.067 19.654 -8.608 1.00 30.53 H new ATOM 163 N GLY A 10 1.528 16.688 -5.259 1.00 31.31 N ATOM 164 CA GLY A 10 1.537 15.544 -4.338 1.00 74.24 C ATOM 165 C GLY A 10 1.203 14.232 -5.032 1.00 0.45 C ATOM 166 O GLY A 10 0.214 13.570 -4.696 1.00 61.34 O ATOM 0 H GLY A 10 0.667 17.234 -5.231 1.00 31.31 H new ATOM 0 HA2 GLY A 10 2.519 15.465 -3.872 1.00 74.24 H new ATOM 0 HA3 GLY A 10 0.818 15.721 -3.538 1.00 74.24 H new ATOM 170 N ASP A 11 2.038 13.872 -6.020 1.00 21.44 N ATOM 171 CA ASP A 11 1.925 12.607 -6.751 1.00 63.21 C ATOM 172 C ASP A 11 2.390 11.463 -5.838 1.00 64.42 C ATOM 173 O ASP A 11 3.528 11.465 -5.352 1.00 44.30 O ATOM 174 CB ASP A 11 2.784 12.641 -8.036 1.00 61.33 C ATOM 175 CG ASP A 11 2.338 13.703 -9.058 1.00 33.03 C ATOM 176 OD1 ASP A 11 2.602 14.906 -8.833 1.00 43.10 O ATOM 177 OD2 ASP A 11 1.757 13.334 -10.104 1.00 71.03 O ATOM 0 H ASP A 11 2.813 14.456 -6.333 1.00 21.44 H new ATOM 0 HA ASP A 11 0.886 12.451 -7.042 1.00 63.21 H new ATOM 0 HB2 ASP A 11 3.822 12.828 -7.762 1.00 61.33 H new ATOM 0 HB3 ASP A 11 2.751 11.660 -8.509 1.00 61.33 H new ATOM 182 N ILE A 12 1.490 10.513 -5.600 1.00 64.22 N ATOM 183 CA ILE A 12 1.704 9.389 -4.680 1.00 11.32 C ATOM 184 C ILE A 12 2.025 8.129 -5.501 1.00 41.50 C ATOM 185 O ILE A 12 1.133 7.531 -6.114 1.00 41.34 O ATOM 186 CB ILE A 12 0.412 9.177 -3.807 1.00 54.13 C ATOM 187 CG1 ILE A 12 0.058 10.496 -3.037 1.00 14.10 C ATOM 188 CG2 ILE A 12 0.561 7.981 -2.846 1.00 41.03 C ATOM 189 CD1 ILE A 12 -1.333 10.528 -2.422 1.00 45.23 C ATOM 0 H ILE A 12 0.573 10.498 -6.047 1.00 64.22 H new ATOM 0 HA ILE A 12 2.540 9.597 -4.012 1.00 11.32 H new ATOM 0 HB ILE A 12 -0.415 8.938 -4.476 1.00 54.13 H new ATOM 0 HG12 ILE A 12 0.792 10.645 -2.245 1.00 14.10 H new ATOM 0 HG13 ILE A 12 0.155 11.337 -3.724 1.00 14.10 H new ATOM 0 HG21 ILE A 12 -0.352 7.868 -2.261 1.00 41.03 H new ATOM 0 HG22 ILE A 12 0.738 7.072 -3.421 1.00 41.03 H new ATOM 0 HG23 ILE A 12 1.402 8.156 -2.175 1.00 41.03 H new ATOM 0 HD11 ILE A 12 -1.483 11.479 -1.912 1.00 45.23 H new ATOM 0 HD12 ILE A 12 -2.081 10.415 -3.207 1.00 45.23 H new ATOM 0 HD13 ILE A 12 -1.433 9.712 -1.706 1.00 45.23 H new ATOM 201 N GLN A 13 3.308 7.757 -5.517 1.00 73.01 N ATOM 202 CA GLN A 13 3.809 6.610 -6.283 1.00 32.53 C ATOM 203 C GLN A 13 3.736 5.336 -5.415 1.00 64.21 C ATOM 204 O GLN A 13 4.505 5.165 -4.460 1.00 41.30 O ATOM 205 CB GLN A 13 5.259 6.906 -6.760 1.00 11.01 C ATOM 206 CG GLN A 13 5.913 5.797 -7.616 1.00 21.51 C ATOM 207 CD GLN A 13 7.312 6.174 -8.128 1.00 4.31 C ATOM 208 OE1 GLN A 13 7.615 7.335 -8.365 1.00 71.20 O ATOM 209 NE2 GLN A 13 8.159 5.188 -8.323 1.00 63.11 N ATOM 0 H GLN A 13 4.035 8.247 -4.995 1.00 73.01 H new ATOM 0 HA GLN A 13 3.192 6.444 -7.166 1.00 32.53 H new ATOM 0 HB2 GLN A 13 5.252 7.831 -7.337 1.00 11.01 H new ATOM 0 HB3 GLN A 13 5.883 7.081 -5.884 1.00 11.01 H new ATOM 0 HG2 GLN A 13 5.983 4.884 -7.024 1.00 21.51 H new ATOM 0 HG3 GLN A 13 5.269 5.576 -8.467 1.00 21.51 H new ATOM 0 HE21 GLN A 13 7.881 4.228 -8.117 1.00 63.11 H new ATOM 0 HE22 GLN A 13 9.094 5.382 -8.680 1.00 63.11 H new ATOM 218 N VAL A 14 2.758 4.482 -5.745 1.00 34.32 N ATOM 219 CA VAL A 14 2.536 3.181 -5.093 1.00 1.22 C ATOM 220 C VAL A 14 3.293 2.101 -5.889 1.00 33.44 C ATOM 221 O VAL A 14 3.070 1.961 -7.089 1.00 74.01 O ATOM 222 CB VAL A 14 0.998 2.820 -5.060 1.00 12.15 C ATOM 223 CG1 VAL A 14 0.743 1.481 -4.322 1.00 63.54 C ATOM 224 CG2 VAL A 14 0.164 3.971 -4.444 1.00 24.42 C ATOM 0 H VAL A 14 2.085 4.678 -6.486 1.00 34.32 H new ATOM 0 HA VAL A 14 2.898 3.231 -4.066 1.00 1.22 H new ATOM 0 HB VAL A 14 0.671 2.690 -6.092 1.00 12.15 H new ATOM 0 HG11 VAL A 14 -0.325 1.265 -4.319 1.00 63.54 H new ATOM 0 HG12 VAL A 14 1.274 0.677 -4.832 1.00 63.54 H new ATOM 0 HG13 VAL A 14 1.101 1.558 -3.295 1.00 63.54 H new ATOM 0 HG21 VAL A 14 -0.890 3.692 -4.435 1.00 24.42 H new ATOM 0 HG22 VAL A 14 0.499 4.157 -3.423 1.00 24.42 H new ATOM 0 HG23 VAL A 14 0.296 4.875 -5.039 1.00 24.42 H new ATOM 234 N GLN A 15 4.207 1.371 -5.228 1.00 34.22 N ATOM 235 CA GLN A 15 4.971 0.267 -5.851 1.00 51.11 C ATOM 236 C GLN A 15 4.856 -0.999 -4.998 1.00 52.21 C ATOM 237 O GLN A 15 5.210 -0.984 -3.821 1.00 2.22 O ATOM 238 CB GLN A 15 6.466 0.658 -6.017 1.00 13.22 C ATOM 239 CG GLN A 15 6.724 1.729 -7.092 1.00 13.14 C ATOM 240 CD GLN A 15 8.208 2.044 -7.300 1.00 65.03 C ATOM 241 OE1 GLN A 15 9.006 1.996 -6.369 1.00 52.44 O ATOM 242 NE2 GLN A 15 8.585 2.367 -8.531 1.00 31.22 N ATOM 0 H GLN A 15 4.440 1.526 -4.247 1.00 34.22 H new ATOM 0 HA GLN A 15 4.551 0.074 -6.838 1.00 51.11 H new ATOM 0 HB2 GLN A 15 6.843 1.021 -5.061 1.00 13.22 H new ATOM 0 HB3 GLN A 15 7.038 -0.236 -6.266 1.00 13.22 H new ATOM 0 HG2 GLN A 15 6.296 1.394 -8.037 1.00 13.14 H new ATOM 0 HG3 GLN A 15 6.202 2.645 -6.813 1.00 13.14 H new ATOM 0 HE21 GLN A 15 7.897 2.398 -9.283 1.00 31.22 H new ATOM 0 HE22 GLN A 15 9.563 2.584 -8.725 1.00 31.22 H new ATOM 251 N ASN A 16 4.352 -2.085 -5.603 1.00 3.21 N ATOM 252 CA ASN A 16 4.261 -3.411 -4.960 1.00 20.05 C ATOM 253 C ASN A 16 5.192 -4.397 -5.694 1.00 21.53 C ATOM 254 O ASN A 16 5.153 -4.492 -6.923 1.00 1.51 O ATOM 255 CB ASN A 16 2.795 -3.918 -4.979 1.00 43.50 C ATOM 256 CG ASN A 16 2.605 -5.273 -4.277 1.00 73.13 C ATOM 257 OD1 ASN A 16 2.752 -6.333 -4.878 1.00 4.44 O ATOM 258 ND2 ASN A 16 2.245 -5.244 -3.008 1.00 14.24 N ATOM 0 H ASN A 16 3.993 -2.071 -6.558 1.00 3.21 H new ATOM 0 HA ASN A 16 4.576 -3.334 -3.919 1.00 20.05 H new ATOM 0 HB2 ASN A 16 2.156 -3.176 -4.499 1.00 43.50 H new ATOM 0 HB3 ASN A 16 2.462 -4.004 -6.013 1.00 43.50 H new ATOM 0 HD21 ASN A 16 2.082 -6.116 -2.504 1.00 14.24 H new ATOM 0 HD22 ASN A 16 2.130 -4.350 -2.531 1.00 14.24 H new ATOM 265 N ASN A 17 6.037 -5.104 -4.932 1.00 0.40 N ATOM 266 CA ASN A 17 6.948 -6.144 -5.448 1.00 44.40 C ATOM 267 C ASN A 17 6.612 -7.454 -4.719 1.00 34.11 C ATOM 268 O ASN A 17 6.600 -7.491 -3.489 1.00 41.34 O ATOM 269 CB ASN A 17 8.430 -5.725 -5.208 1.00 2.32 C ATOM 270 CG ASN A 17 9.465 -6.631 -5.904 1.00 52.43 C ATOM 271 OD1 ASN A 17 9.243 -7.819 -6.129 1.00 23.44 O ATOM 272 ND2 ASN A 17 10.619 -6.071 -6.233 1.00 42.30 N ATOM 0 H ASN A 17 6.111 -4.970 -3.924 1.00 0.40 H new ATOM 0 HA ASN A 17 6.822 -6.277 -6.523 1.00 44.40 H new ATOM 0 HB2 ASN A 17 8.567 -4.702 -5.557 1.00 2.32 H new ATOM 0 HB3 ASN A 17 8.627 -5.725 -4.136 1.00 2.32 H new ATOM 0 HD21 ASN A 17 11.346 -6.627 -6.683 1.00 42.30 H new ATOM 0 HD22 ASN A 17 10.781 -5.083 -6.037 1.00 42.30 H new ATOM 279 N ASN A 18 6.360 -8.525 -5.483 1.00 22.11 N ATOM 280 CA ASN A 18 5.791 -9.780 -4.954 1.00 61.12 C ATOM 281 C ASN A 18 6.878 -10.848 -4.778 1.00 60.13 C ATOM 282 O ASN A 18 7.788 -10.967 -5.610 1.00 22.14 O ATOM 283 CB ASN A 18 4.687 -10.300 -5.914 1.00 43.13 C ATOM 284 CG ASN A 18 3.627 -9.238 -6.213 1.00 54.14 C ATOM 285 OD1 ASN A 18 3.801 -8.426 -7.119 1.00 34.44 O ATOM 286 ND2 ASN A 18 2.530 -9.238 -5.467 1.00 54.21 N ATOM 0 H ASN A 18 6.544 -8.550 -6.486 1.00 22.11 H new ATOM 0 HA ASN A 18 5.356 -9.575 -3.976 1.00 61.12 H new ATOM 0 HB2 ASN A 18 5.145 -10.625 -6.848 1.00 43.13 H new ATOM 0 HB3 ASN A 18 4.208 -11.174 -5.473 1.00 43.13 H new ATOM 0 HD21 ASN A 18 1.797 -8.549 -5.637 1.00 54.21 H new ATOM 0 HD22 ASN A 18 2.419 -9.927 -4.723 1.00 54.21 H new ATOM 293 N THR A 19 6.793 -11.601 -3.666 1.00 4.43 N ATOM 294 CA THR A 19 7.621 -12.798 -3.435 1.00 5.31 C ATOM 295 C THR A 19 6.778 -14.019 -3.851 1.00 0.24 C ATOM 296 O THR A 19 5.659 -14.175 -3.345 1.00 21.31 O ATOM 297 CB THR A 19 8.062 -12.907 -1.934 1.00 62.21 C ATOM 298 OG1 THR A 19 8.499 -11.628 -1.456 1.00 54.13 O ATOM 299 CG2 THR A 19 9.209 -13.922 -1.751 1.00 63.42 C ATOM 0 H THR A 19 6.148 -11.396 -2.903 1.00 4.43 H new ATOM 0 HA THR A 19 8.538 -12.743 -4.022 1.00 5.31 H new ATOM 0 HB THR A 19 7.198 -13.249 -1.365 1.00 62.21 H new ATOM 0 HG1 THR A 19 8.771 -11.705 -0.518 1.00 54.13 H new ATOM 0 HG21 THR A 19 9.488 -13.970 -0.698 1.00 63.42 H new ATOM 0 HG22 THR A 19 8.881 -14.906 -2.085 1.00 63.42 H new ATOM 0 HG23 THR A 19 10.070 -13.608 -2.340 1.00 63.42 H new ATOM 307 N CYS A 20 7.340 -14.870 -4.743 1.00 25.10 N ATOM 308 CA CYS A 20 6.592 -15.846 -5.578 1.00 13.12 C ATOM 309 C CYS A 20 5.831 -15.085 -6.694 1.00 53.52 C ATOM 310 O CYS A 20 4.656 -15.358 -6.977 1.00 63.23 O ATOM 311 CB CYS A 20 5.634 -16.764 -4.758 1.00 32.10 C ATOM 312 SG CYS A 20 6.444 -17.741 -3.434 1.00 35.02 S ATOM 0 H CYS A 20 8.346 -14.899 -4.907 1.00 25.10 H new ATOM 0 HA CYS A 20 7.321 -16.523 -6.023 1.00 13.12 H new ATOM 0 HB2 CYS A 20 4.858 -16.145 -4.309 1.00 32.10 H new ATOM 0 HB3 CYS A 20 5.137 -17.451 -5.444 1.00 32.10 H new ATOM 317 N ASN A 21 6.545 -14.125 -7.323 1.00 61.45 N ATOM 318 CA ASN A 21 5.976 -13.256 -8.365 1.00 2.41 C ATOM 319 C ASN A 21 5.849 -14.014 -9.703 1.00 43.34 C ATOM 320 O ASN A 21 6.850 -14.419 -10.306 1.00 74.00 O ATOM 321 CB ASN A 21 6.815 -11.946 -8.519 1.00 73.20 C ATOM 322 CG ASN A 21 8.274 -12.143 -8.951 1.00 53.13 C ATOM 323 OD1 ASN A 21 8.598 -12.091 -10.132 1.00 74.11 O ATOM 324 ND2 ASN A 21 9.161 -12.363 -7.992 1.00 61.42 N ATOM 0 H ASN A 21 7.527 -13.935 -7.121 1.00 61.45 H new ATOM 0 HA ASN A 21 4.972 -12.965 -8.058 1.00 2.41 H new ATOM 0 HB2 ASN A 21 6.322 -11.303 -9.248 1.00 73.20 H new ATOM 0 HB3 ASN A 21 6.805 -11.415 -7.567 1.00 73.20 H new ATOM 0 HD21 ASN A 21 10.145 -12.495 -8.228 1.00 61.42 H new ATOM 0 HD22 ASN A 21 8.860 -12.401 -7.018 1.00 61.42 H new ATOM 331 N GLY A 22 4.594 -14.258 -10.122 1.00 51.44 N ATOM 332 CA GLY A 22 4.300 -14.905 -11.404 1.00 23.14 C ATOM 333 C GLY A 22 4.210 -13.889 -12.532 1.00 22.44 C ATOM 334 O GLY A 22 5.218 -13.267 -12.893 1.00 50.52 O ATOM 0 H GLY A 22 3.764 -14.013 -9.583 1.00 51.44 H new ATOM 0 HA2 GLY A 22 5.077 -15.635 -11.631 1.00 23.14 H new ATOM 0 HA3 GLY A 22 3.360 -15.452 -11.330 1.00 23.14 H new ATOM 338 N LYS A 23 3.000 -13.708 -13.081 1.00 40.05 N ATOM 339 CA LYS A 23 2.721 -12.694 -14.103 1.00 4.51 C ATOM 340 C LYS A 23 2.522 -11.323 -13.421 1.00 0.35 C ATOM 341 O LYS A 23 1.399 -10.844 -13.246 1.00 34.05 O ATOM 342 CB LYS A 23 1.480 -13.113 -14.947 1.00 52.44 C ATOM 343 CG LYS A 23 1.654 -14.464 -15.689 1.00 43.51 C ATOM 344 CD LYS A 23 0.391 -14.885 -16.487 1.00 51.10 C ATOM 345 CE LYS A 23 0.585 -16.217 -17.240 1.00 34.21 C ATOM 346 NZ LYS A 23 -0.626 -16.607 -18.008 1.00 2.44 N ATOM 0 H LYS A 23 2.185 -14.265 -12.826 1.00 40.05 H new ATOM 0 HA LYS A 23 3.565 -12.611 -14.788 1.00 4.51 H new ATOM 0 HB2 LYS A 23 0.612 -13.179 -14.291 1.00 52.44 H new ATOM 0 HB3 LYS A 23 1.269 -12.332 -15.678 1.00 52.44 H new ATOM 0 HG2 LYS A 23 2.501 -14.391 -16.372 1.00 43.51 H new ATOM 0 HG3 LYS A 23 1.895 -15.242 -14.964 1.00 43.51 H new ATOM 0 HD2 LYS A 23 -0.453 -14.977 -15.803 1.00 51.10 H new ATOM 0 HD3 LYS A 23 0.138 -14.101 -17.201 1.00 51.10 H new ATOM 0 HE2 LYS A 23 1.432 -16.128 -17.920 1.00 34.21 H new ATOM 0 HE3 LYS A 23 0.830 -17.004 -16.527 1.00 34.21 H new ATOM 0 HZ1 LYS A 23 -0.451 -17.507 -18.498 1.00 2.44 H new ATOM 0 HZ2 LYS A 23 -1.429 -16.718 -17.357 1.00 2.44 H new ATOM 0 HZ3 LYS A 23 -0.846 -15.869 -18.707 1.00 2.44 H new ATOM 360 N THR A 24 3.647 -10.756 -12.961 1.00 33.01 N ATOM 361 CA THR A 24 3.699 -9.457 -12.281 1.00 11.11 C ATOM 362 C THR A 24 4.246 -8.396 -13.244 1.00 51.03 C ATOM 363 O THR A 24 5.462 -8.281 -13.428 1.00 25.34 O ATOM 364 CB THR A 24 4.576 -9.557 -10.988 1.00 31.33 C ATOM 365 OG1 THR A 24 5.803 -10.238 -11.289 1.00 32.34 O ATOM 366 CG2 THR A 24 3.854 -10.305 -9.865 1.00 12.12 C ATOM 0 H THR A 24 4.562 -11.197 -13.054 1.00 33.01 H new ATOM 0 HA THR A 24 2.694 -9.163 -11.978 1.00 11.11 H new ATOM 0 HB THR A 24 4.776 -8.541 -10.647 1.00 31.33 H new ATOM 0 HG1 THR A 24 6.178 -9.883 -12.122 1.00 32.34 H new ATOM 0 HG21 THR A 24 4.498 -10.352 -8.987 1.00 12.12 H new ATOM 0 HG22 THR A 24 2.933 -9.781 -9.612 1.00 12.12 H new ATOM 0 HG23 THR A 24 3.617 -11.316 -10.195 1.00 12.12 H new ATOM 374 N PHE A 25 3.327 -7.643 -13.872 1.00 4.33 N ATOM 375 CA PHE A 25 3.655 -6.710 -14.955 1.00 72.03 C ATOM 376 C PHE A 25 4.468 -5.517 -14.421 1.00 31.14 C ATOM 377 O PHE A 25 5.533 -5.197 -14.966 1.00 60.11 O ATOM 378 CB PHE A 25 2.354 -6.227 -15.661 1.00 73.13 C ATOM 379 CG PHE A 25 2.588 -5.481 -16.982 1.00 2.33 C ATOM 380 CD1 PHE A 25 2.721 -6.186 -18.179 1.00 53.13 C ATOM 381 CD2 PHE A 25 2.679 -4.089 -17.030 1.00 31.25 C ATOM 382 CE1 PHE A 25 2.937 -5.523 -19.373 1.00 13.21 C ATOM 383 CE2 PHE A 25 2.895 -3.427 -18.223 1.00 52.10 C ATOM 384 CZ PHE A 25 3.024 -4.144 -19.394 1.00 43.41 C ATOM 0 H PHE A 25 2.334 -7.667 -13.640 1.00 4.33 H new ATOM 0 HA PHE A 25 4.271 -7.231 -15.688 1.00 72.03 H new ATOM 0 HB2 PHE A 25 1.718 -7.091 -15.854 1.00 73.13 H new ATOM 0 HB3 PHE A 25 1.807 -5.574 -14.981 1.00 73.13 H new ATOM 0 HD1 PHE A 25 2.654 -7.264 -18.173 1.00 53.13 H new ATOM 0 HD2 PHE A 25 2.579 -3.519 -16.118 1.00 31.25 H new ATOM 0 HE1 PHE A 25 3.038 -6.084 -20.291 1.00 13.21 H new ATOM 0 HE2 PHE A 25 2.963 -2.349 -18.239 1.00 52.10 H new ATOM 0 HZ PHE A 25 3.193 -3.628 -20.327 1.00 43.41 H new ATOM 394 N ASP A 26 3.973 -4.884 -13.334 1.00 40.54 N ATOM 395 CA ASP A 26 4.587 -3.652 -12.791 1.00 62.31 C ATOM 396 C ASP A 26 4.130 -3.378 -11.334 1.00 45.34 C ATOM 397 O ASP A 26 4.966 -3.111 -10.463 1.00 62.15 O ATOM 398 CB ASP A 26 4.270 -2.434 -13.714 1.00 10.04 C ATOM 399 CG ASP A 26 2.795 -1.987 -13.694 1.00 5.01 C ATOM 400 OD1 ASP A 26 1.919 -2.767 -14.118 1.00 74.12 O ATOM 401 OD2 ASP A 26 2.505 -0.863 -13.239 1.00 44.24 O ATOM 0 H ASP A 26 3.154 -5.204 -12.818 1.00 40.54 H new ATOM 0 HA ASP A 26 5.667 -3.799 -12.768 1.00 62.31 H new ATOM 0 HB2 ASP A 26 4.896 -1.594 -13.414 1.00 10.04 H new ATOM 0 HB3 ASP A 26 4.546 -2.688 -14.737 1.00 10.04 H new ATOM 406 N TYR A 27 2.796 -3.446 -11.100 1.00 71.32 N ATOM 407 CA TYR A 27 2.146 -3.165 -9.785 1.00 70.40 C ATOM 408 C TYR A 27 2.496 -1.744 -9.268 1.00 51.14 C ATOM 409 O TYR A 27 2.581 -1.500 -8.056 1.00 32.12 O ATOM 410 CB TYR A 27 2.500 -4.267 -8.739 1.00 25.44 C ATOM 411 CG TYR A 27 1.910 -5.666 -9.015 1.00 25.41 C ATOM 412 CD1 TYR A 27 1.870 -6.204 -10.303 1.00 52.31 C ATOM 413 CD2 TYR A 27 1.414 -6.462 -7.975 1.00 54.34 C ATOM 414 CE1 TYR A 27 1.368 -7.458 -10.541 1.00 12.55 C ATOM 415 CE2 TYR A 27 0.902 -7.723 -8.214 1.00 72.42 C ATOM 416 CZ TYR A 27 0.885 -8.215 -9.503 1.00 62.42 C ATOM 417 OH TYR A 27 0.416 -9.484 -9.760 1.00 62.14 O ATOM 0 H TYR A 27 2.127 -3.701 -11.827 1.00 71.32 H new ATOM 0 HA TYR A 27 1.067 -3.191 -9.935 1.00 70.40 H new ATOM 0 HB2 TYR A 27 3.585 -4.355 -8.684 1.00 25.44 H new ATOM 0 HB3 TYR A 27 2.157 -3.935 -7.759 1.00 25.44 H new ATOM 0 HD1 TYR A 27 2.243 -5.619 -11.131 1.00 52.31 H new ATOM 0 HD2 TYR A 27 1.432 -6.082 -6.964 1.00 54.34 H new ATOM 0 HE1 TYR A 27 1.353 -7.850 -11.547 1.00 12.55 H new ATOM 0 HE2 TYR A 27 0.518 -8.318 -7.399 1.00 72.42 H new ATOM 0 HH TYR A 27 0.365 -9.990 -8.922 1.00 62.14 H new ATOM 427 N THR A 28 2.646 -0.810 -10.220 1.00 12.43 N ATOM 428 CA THR A 28 3.072 0.577 -9.955 1.00 12.15 C ATOM 429 C THR A 28 1.995 1.557 -10.466 1.00 64.53 C ATOM 430 O THR A 28 1.681 1.570 -11.660 1.00 1.04 O ATOM 431 CB THR A 28 4.446 0.864 -10.649 1.00 41.04 C ATOM 432 OG1 THR A 28 5.412 -0.125 -10.235 1.00 0.13 O ATOM 433 CG2 THR A 28 4.984 2.274 -10.323 1.00 41.01 C ATOM 0 H THR A 28 2.473 -0.997 -11.208 1.00 12.43 H new ATOM 0 HA THR A 28 3.195 0.714 -8.881 1.00 12.15 H new ATOM 0 HB THR A 28 4.285 0.813 -11.726 1.00 41.04 H new ATOM 0 HG1 THR A 28 5.126 -1.010 -10.543 1.00 0.13 H new ATOM 0 HG21 THR A 28 5.938 2.425 -10.827 1.00 41.01 H new ATOM 0 HG22 THR A 28 4.270 3.024 -10.665 1.00 41.01 H new ATOM 0 HG23 THR A 28 5.123 2.370 -9.246 1.00 41.01 H new ATOM 441 N TYR A 29 1.423 2.365 -9.546 1.00 34.43 N ATOM 442 CA TYR A 29 0.313 3.299 -9.843 1.00 54.51 C ATOM 443 C TYR A 29 0.556 4.636 -9.125 1.00 20.40 C ATOM 444 O TYR A 29 0.748 4.659 -7.908 1.00 0.32 O ATOM 445 CB TYR A 29 -1.052 2.695 -9.388 1.00 64.35 C ATOM 446 CG TYR A 29 -1.323 1.279 -9.931 1.00 40.04 C ATOM 447 CD1 TYR A 29 -1.745 1.083 -11.245 1.00 3.02 C ATOM 448 CD2 TYR A 29 -1.116 0.143 -9.133 1.00 14.10 C ATOM 449 CE1 TYR A 29 -1.949 -0.185 -11.743 1.00 74.54 C ATOM 450 CE2 TYR A 29 -1.325 -1.128 -9.630 1.00 43.14 C ATOM 451 CZ TYR A 29 -1.735 -1.285 -10.935 1.00 2.22 C ATOM 452 OH TYR A 29 -1.941 -2.548 -11.438 1.00 1.25 O ATOM 0 H TYR A 29 1.720 2.388 -8.570 1.00 34.43 H new ATOM 0 HA TYR A 29 0.276 3.465 -10.920 1.00 54.51 H new ATOM 0 HB2 TYR A 29 -1.080 2.667 -8.299 1.00 64.35 H new ATOM 0 HB3 TYR A 29 -1.856 3.357 -9.711 1.00 64.35 H new ATOM 0 HD1 TYR A 29 -1.915 1.938 -11.882 1.00 3.02 H new ATOM 0 HD2 TYR A 29 -0.787 0.265 -8.112 1.00 14.10 H new ATOM 0 HE1 TYR A 29 -2.276 -0.319 -12.764 1.00 74.54 H new ATOM 0 HE2 TYR A 29 -1.168 -1.992 -9.001 1.00 43.14 H new ATOM 0 HH TYR A 29 -2.898 -2.758 -11.413 1.00 1.25 H new ATOM 462 N THR A 30 0.537 5.740 -9.880 1.00 13.21 N ATOM 463 CA THR A 30 0.788 7.090 -9.353 1.00 41.33 C ATOM 464 C THR A 30 -0.530 7.882 -9.320 1.00 21.34 C ATOM 465 O THR A 30 -1.095 8.204 -10.373 1.00 74.42 O ATOM 466 CB THR A 30 1.857 7.818 -10.231 1.00 35.34 C ATOM 467 OG1 THR A 30 3.000 6.955 -10.388 1.00 40.42 O ATOM 468 CG2 THR A 30 2.308 9.162 -9.622 1.00 21.00 C ATOM 0 H THR A 30 0.346 5.724 -10.882 1.00 13.21 H new ATOM 0 HA THR A 30 1.177 7.019 -8.337 1.00 41.33 H new ATOM 0 HB THR A 30 1.400 8.038 -11.196 1.00 35.34 H new ATOM 0 HG1 THR A 30 3.675 7.403 -10.939 1.00 40.42 H new ATOM 0 HG21 THR A 30 3.050 9.625 -10.272 1.00 21.00 H new ATOM 0 HG22 THR A 30 1.448 9.824 -9.524 1.00 21.00 H new ATOM 0 HG23 THR A 30 2.745 8.988 -8.639 1.00 21.00 H new ATOM 476 N VAL A 31 -1.028 8.167 -8.102 1.00 10.33 N ATOM 477 CA VAL A 31 -2.316 8.859 -7.883 1.00 2.45 C ATOM 478 C VAL A 31 -2.092 10.222 -7.190 1.00 1.34 C ATOM 479 O VAL A 31 -1.372 10.313 -6.205 1.00 31.44 O ATOM 480 CB VAL A 31 -3.320 7.966 -7.044 1.00 71.15 C ATOM 481 CG1 VAL A 31 -3.712 6.693 -7.832 1.00 65.42 C ATOM 482 CG2 VAL A 31 -2.761 7.599 -5.644 1.00 12.14 C ATOM 0 H VAL A 31 -0.547 7.923 -7.236 1.00 10.33 H new ATOM 0 HA VAL A 31 -2.766 9.035 -8.860 1.00 2.45 H new ATOM 0 HB VAL A 31 -4.216 8.565 -6.879 1.00 71.15 H new ATOM 0 HG11 VAL A 31 -4.402 6.095 -7.237 1.00 65.42 H new ATOM 0 HG12 VAL A 31 -4.193 6.978 -8.768 1.00 65.42 H new ATOM 0 HG13 VAL A 31 -2.818 6.108 -8.047 1.00 65.42 H new ATOM 0 HG21 VAL A 31 -3.488 6.987 -5.111 1.00 12.14 H new ATOM 0 HG22 VAL A 31 -1.831 7.041 -5.758 1.00 12.14 H new ATOM 0 HG23 VAL A 31 -2.570 8.511 -5.078 1.00 12.14 H new ATOM 492 N THR A 32 -2.680 11.286 -7.752 1.00 62.43 N ATOM 493 CA THR A 32 -2.651 12.635 -7.148 1.00 72.21 C ATOM 494 C THR A 32 -3.850 12.825 -6.182 1.00 33.41 C ATOM 495 O THR A 32 -3.932 13.836 -5.472 1.00 62.22 O ATOM 496 CB THR A 32 -2.645 13.751 -8.257 1.00 1.20 C ATOM 497 OG1 THR A 32 -2.487 15.058 -7.674 1.00 21.20 O ATOM 498 CG2 THR A 32 -3.920 13.734 -9.121 1.00 43.40 C ATOM 0 H THR A 32 -3.189 11.242 -8.635 1.00 62.43 H new ATOM 0 HA THR A 32 -1.729 12.729 -6.574 1.00 72.21 H new ATOM 0 HB THR A 32 -1.795 13.530 -8.903 1.00 1.20 H new ATOM 0 HG1 THR A 32 -2.930 15.082 -6.800 1.00 21.20 H new ATOM 0 HG21 THR A 32 -3.863 14.524 -9.870 1.00 43.40 H new ATOM 0 HG22 THR A 32 -4.009 12.768 -9.619 1.00 43.40 H new ATOM 0 HG23 THR A 32 -4.791 13.897 -8.487 1.00 43.40 H new ATOM 506 N THR A 33 -4.775 11.842 -6.165 1.00 21.43 N ATOM 507 CA THR A 33 -5.978 11.876 -5.312 1.00 64.30 C ATOM 508 C THR A 33 -6.260 10.463 -4.751 1.00 24.11 C ATOM 509 O THR A 33 -6.177 9.467 -5.484 1.00 71.53 O ATOM 510 CB THR A 33 -7.219 12.403 -6.120 1.00 4.54 C ATOM 511 OG1 THR A 33 -6.902 13.667 -6.745 1.00 75.53 O ATOM 512 CG2 THR A 33 -8.466 12.579 -5.230 1.00 44.20 C ATOM 0 H THR A 33 -4.707 11.004 -6.742 1.00 21.43 H new ATOM 0 HA THR A 33 -5.800 12.560 -4.482 1.00 64.30 H new ATOM 0 HB THR A 33 -7.449 11.653 -6.876 1.00 4.54 H new ATOM 0 HG1 THR A 33 -7.680 13.988 -7.248 1.00 75.53 H new ATOM 0 HG21 THR A 33 -9.296 12.945 -5.835 1.00 44.20 H new ATOM 0 HG22 THR A 33 -8.735 11.620 -4.787 1.00 44.20 H new ATOM 0 HG23 THR A 33 -8.250 13.297 -4.439 1.00 44.20 H new ATOM 520 N GLU A 34 -6.619 10.394 -3.451 1.00 32.25 N ATOM 521 CA GLU A 34 -6.873 9.122 -2.739 1.00 3.42 C ATOM 522 C GLU A 34 -8.167 8.416 -3.204 1.00 14.41 C ATOM 523 O GLU A 34 -8.370 7.237 -2.899 1.00 11.22 O ATOM 524 CB GLU A 34 -6.902 9.343 -1.214 1.00 30.33 C ATOM 525 CG GLU A 34 -5.565 9.830 -0.633 1.00 73.03 C ATOM 526 CD GLU A 34 -5.601 9.954 0.895 1.00 54.53 C ATOM 527 OE1 GLU A 34 -5.290 8.961 1.595 1.00 71.35 O ATOM 528 OE2 GLU A 34 -5.937 11.047 1.411 1.00 53.13 O ATOM 0 H GLU A 34 -6.741 11.220 -2.865 1.00 32.25 H new ATOM 0 HA GLU A 34 -6.044 8.460 -2.990 1.00 3.42 H new ATOM 0 HB2 GLU A 34 -7.678 10.071 -0.976 1.00 30.33 H new ATOM 0 HB3 GLU A 34 -7.181 8.409 -0.726 1.00 30.33 H new ATOM 0 HG2 GLU A 34 -4.774 9.137 -0.920 1.00 73.03 H new ATOM 0 HG3 GLU A 34 -5.314 10.798 -1.067 1.00 73.03 H new ATOM 535 N SER A 35 -9.041 9.154 -3.905 1.00 41.23 N ATOM 536 CA SER A 35 -10.235 8.581 -4.551 1.00 13.42 C ATOM 537 C SER A 35 -9.829 7.477 -5.556 1.00 43.31 C ATOM 538 O SER A 35 -10.439 6.408 -5.594 1.00 5.52 O ATOM 539 CB SER A 35 -11.029 9.704 -5.254 1.00 72.33 C ATOM 540 OG SER A 35 -11.346 10.740 -4.335 1.00 74.24 O ATOM 0 H SER A 35 -8.942 10.160 -4.041 1.00 41.23 H new ATOM 0 HA SER A 35 -10.871 8.123 -3.793 1.00 13.42 H new ATOM 0 HB2 SER A 35 -10.444 10.109 -6.080 1.00 72.33 H new ATOM 0 HB3 SER A 35 -11.945 9.297 -5.682 1.00 72.33 H new ATOM 0 HG SER A 35 -11.847 11.444 -4.796 1.00 74.24 H new ATOM 546 N GLU A 36 -8.749 7.753 -6.312 1.00 43.32 N ATOM 547 CA GLU A 36 -8.174 6.824 -7.299 1.00 73.34 C ATOM 548 C GLU A 36 -7.378 5.697 -6.605 1.00 71.13 C ATOM 549 O GLU A 36 -7.400 4.544 -7.053 1.00 52.52 O ATOM 550 CB GLU A 36 -7.295 7.627 -8.289 1.00 52.41 C ATOM 551 CG GLU A 36 -8.085 8.654 -9.134 1.00 51.40 C ATOM 552 CD GLU A 36 -9.159 8.022 -10.046 1.00 4.22 C ATOM 553 OE1 GLU A 36 -8.843 7.647 -11.194 1.00 62.21 O ATOM 554 OE2 GLU A 36 -10.329 7.894 -9.626 1.00 3.53 O ATOM 0 H GLU A 36 -8.247 8.639 -6.252 1.00 43.32 H new ATOM 0 HA GLU A 36 -8.976 6.338 -7.855 1.00 73.34 H new ATOM 0 HB2 GLU A 36 -6.520 8.150 -7.730 1.00 52.41 H new ATOM 0 HB3 GLU A 36 -6.790 6.931 -8.959 1.00 52.41 H new ATOM 0 HG2 GLU A 36 -8.565 9.367 -8.464 1.00 51.40 H new ATOM 0 HG3 GLU A 36 -7.385 9.217 -9.751 1.00 51.40 H new ATOM 561 N LEU A 37 -6.716 6.049 -5.481 1.00 61.33 N ATOM 562 CA LEU A 37 -5.967 5.101 -4.617 1.00 3.31 C ATOM 563 C LEU A 37 -6.828 3.876 -4.213 1.00 60.33 C ATOM 564 O LEU A 37 -6.316 2.766 -4.101 1.00 63.33 O ATOM 565 CB LEU A 37 -5.499 5.842 -3.347 1.00 53.43 C ATOM 566 CG LEU A 37 -4.789 4.991 -2.246 1.00 62.02 C ATOM 567 CD1 LEU A 37 -3.310 4.712 -2.592 1.00 30.33 C ATOM 568 CD2 LEU A 37 -4.948 5.645 -0.860 1.00 31.45 C ATOM 0 H LEU A 37 -6.684 7.010 -5.141 1.00 61.33 H new ATOM 0 HA LEU A 37 -5.113 4.730 -5.184 1.00 3.31 H new ATOM 0 HB2 LEU A 37 -4.818 6.637 -3.651 1.00 53.43 H new ATOM 0 HB3 LEU A 37 -6.368 6.321 -2.896 1.00 53.43 H new ATOM 0 HG LEU A 37 -5.282 4.019 -2.210 1.00 62.02 H new ATOM 0 HD11 LEU A 37 -2.857 4.118 -1.799 1.00 30.33 H new ATOM 0 HD12 LEU A 37 -3.253 4.165 -3.533 1.00 30.33 H new ATOM 0 HD13 LEU A 37 -2.775 5.656 -2.689 1.00 30.33 H new ATOM 0 HD21 LEU A 37 -4.446 5.034 -0.110 1.00 31.45 H new ATOM 0 HD22 LEU A 37 -4.504 6.640 -0.874 1.00 31.45 H new ATOM 0 HD23 LEU A 37 -6.007 5.723 -0.614 1.00 31.45 H new ATOM 580 N GLN A 38 -8.142 4.105 -4.010 1.00 63.01 N ATOM 581 CA GLN A 38 -9.104 3.047 -3.633 1.00 61.14 C ATOM 582 C GLN A 38 -9.109 1.901 -4.665 1.00 71.44 C ATOM 583 O GLN A 38 -9.009 0.728 -4.296 1.00 64.13 O ATOM 584 CB GLN A 38 -10.531 3.654 -3.490 1.00 61.51 C ATOM 585 CG GLN A 38 -10.650 4.705 -2.369 1.00 60.31 C ATOM 586 CD GLN A 38 -12.008 5.415 -2.318 1.00 23.30 C ATOM 587 OE1 GLN A 38 -13.036 4.856 -2.701 1.00 32.31 O ATOM 588 NE2 GLN A 38 -12.023 6.648 -1.827 1.00 0.21 N ATOM 0 H GLN A 38 -8.566 5.028 -4.103 1.00 63.01 H new ATOM 0 HA GLN A 38 -8.794 2.630 -2.675 1.00 61.14 H new ATOM 0 HB2 GLN A 38 -10.817 4.112 -4.437 1.00 61.51 H new ATOM 0 HB3 GLN A 38 -11.241 2.849 -3.298 1.00 61.51 H new ATOM 0 HG2 GLN A 38 -10.470 4.220 -1.410 1.00 60.31 H new ATOM 0 HG3 GLN A 38 -9.867 5.451 -2.501 1.00 60.31 H new ATOM 0 HE21 GLN A 38 -11.154 7.084 -1.518 1.00 0.21 H new ATOM 0 HE22 GLN A 38 -12.903 7.159 -1.759 1.00 0.21 H new ATOM 597 N LYS A 39 -9.171 2.275 -5.961 1.00 64.51 N ATOM 598 CA LYS A 39 -9.180 1.310 -7.078 1.00 51.35 C ATOM 599 C LYS A 39 -7.831 0.579 -7.203 1.00 1.24 C ATOM 600 O LYS A 39 -7.808 -0.604 -7.581 1.00 43.02 O ATOM 601 CB LYS A 39 -9.573 1.985 -8.429 1.00 34.44 C ATOM 602 CG LYS A 39 -11.096 2.238 -8.616 1.00 25.03 C ATOM 603 CD LYS A 39 -11.662 3.376 -7.746 1.00 22.11 C ATOM 604 CE LYS A 39 -11.093 4.742 -8.145 1.00 32.25 C ATOM 605 NZ LYS A 39 -11.401 5.106 -9.558 1.00 31.14 N ATOM 0 H LYS A 39 -9.216 3.249 -6.260 1.00 64.51 H new ATOM 0 HA LYS A 39 -9.945 0.568 -6.847 1.00 51.35 H new ATOM 0 HB2 LYS A 39 -9.049 2.937 -8.509 1.00 34.44 H new ATOM 0 HB3 LYS A 39 -9.220 1.358 -9.248 1.00 34.44 H new ATOM 0 HG2 LYS A 39 -11.288 2.468 -9.664 1.00 25.03 H new ATOM 0 HG3 LYS A 39 -11.636 1.319 -8.387 1.00 25.03 H new ATOM 0 HD2 LYS A 39 -12.748 3.395 -7.836 1.00 22.11 H new ATOM 0 HD3 LYS A 39 -11.433 3.180 -6.699 1.00 22.11 H new ATOM 0 HE2 LYS A 39 -11.497 5.507 -7.481 1.00 32.25 H new ATOM 0 HE3 LYS A 39 -10.012 4.736 -8.004 1.00 32.25 H new ATOM 0 HZ1 LYS A 39 -11.144 6.100 -9.724 1.00 31.14 H new ATOM 0 HZ2 LYS A 39 -10.856 4.496 -10.200 1.00 31.14 H new ATOM 0 HZ3 LYS A 39 -12.417 4.977 -9.736 1.00 31.14 H new ATOM 619 N VAL A 40 -6.721 1.289 -6.878 1.00 23.45 N ATOM 620 CA VAL A 40 -5.368 0.696 -6.839 1.00 31.13 C ATOM 621 C VAL A 40 -5.374 -0.544 -5.934 1.00 14.42 C ATOM 622 O VAL A 40 -5.066 -1.635 -6.389 1.00 35.04 O ATOM 623 CB VAL A 40 -4.289 1.729 -6.319 1.00 44.05 C ATOM 624 CG1 VAL A 40 -2.906 1.066 -6.086 1.00 11.41 C ATOM 625 CG2 VAL A 40 -4.174 2.936 -7.278 1.00 14.42 C ATOM 0 H VAL A 40 -6.742 2.280 -6.638 1.00 23.45 H new ATOM 0 HA VAL A 40 -5.097 0.415 -7.857 1.00 31.13 H new ATOM 0 HB VAL A 40 -4.633 2.092 -5.351 1.00 44.05 H new ATOM 0 HG11 VAL A 40 -2.199 1.815 -5.730 1.00 11.41 H new ATOM 0 HG12 VAL A 40 -3.002 0.275 -5.342 1.00 11.41 H new ATOM 0 HG13 VAL A 40 -2.544 0.642 -7.022 1.00 11.41 H new ATOM 0 HG21 VAL A 40 -3.426 3.632 -6.899 1.00 14.42 H new ATOM 0 HG22 VAL A 40 -3.877 2.588 -8.267 1.00 14.42 H new ATOM 0 HG23 VAL A 40 -5.138 3.440 -7.345 1.00 14.42 H new ATOM 635 N LEU A 41 -5.819 -0.351 -4.680 1.00 45.41 N ATOM 636 CA LEU A 41 -5.814 -1.409 -3.655 1.00 11.43 C ATOM 637 C LEU A 41 -6.851 -2.513 -3.934 1.00 50.53 C ATOM 638 O LEU A 41 -6.647 -3.653 -3.506 1.00 30.21 O ATOM 639 CB LEU A 41 -6.024 -0.818 -2.232 1.00 75.15 C ATOM 640 CG LEU A 41 -4.776 -0.146 -1.569 1.00 44.01 C ATOM 641 CD1 LEU A 41 -3.557 -1.092 -1.551 1.00 71.31 C ATOM 642 CD2 LEU A 41 -4.417 1.203 -2.209 1.00 64.12 C ATOM 0 H LEU A 41 -6.191 0.539 -4.350 1.00 45.41 H new ATOM 0 HA LEU A 41 -4.828 -1.872 -3.701 1.00 11.43 H new ATOM 0 HB2 LEU A 41 -6.824 -0.079 -2.283 1.00 75.15 H new ATOM 0 HB3 LEU A 41 -6.370 -1.618 -1.577 1.00 75.15 H new ATOM 0 HG LEU A 41 -5.058 0.058 -0.536 1.00 44.01 H new ATOM 0 HD11 LEU A 41 -2.712 -0.588 -1.083 1.00 71.31 H new ATOM 0 HD12 LEU A 41 -3.802 -1.991 -0.985 1.00 71.31 H new ATOM 0 HD13 LEU A 41 -3.295 -1.367 -2.573 1.00 71.31 H new ATOM 0 HD21 LEU A 41 -3.544 1.622 -1.709 1.00 64.12 H new ATOM 0 HD22 LEU A 41 -4.194 1.056 -3.266 1.00 64.12 H new ATOM 0 HD23 LEU A 41 -5.258 1.889 -2.107 1.00 64.12 H new ATOM 654 N ASN A 42 -7.953 -2.171 -4.633 1.00 35.50 N ATOM 655 CA ASN A 42 -9.000 -3.153 -5.007 1.00 10.33 C ATOM 656 C ASN A 42 -8.405 -4.263 -5.893 1.00 71.42 C ATOM 657 O ASN A 42 -8.497 -5.454 -5.553 1.00 64.41 O ATOM 658 CB ASN A 42 -10.196 -2.473 -5.740 1.00 23.35 C ATOM 659 CG ASN A 42 -11.040 -1.553 -4.852 1.00 33.23 C ATOM 660 OD1 ASN A 42 -11.164 -1.764 -3.644 1.00 15.35 O ATOM 661 ND2 ASN A 42 -11.651 -0.537 -5.455 1.00 1.21 N ATOM 0 H ASN A 42 -8.144 -1.221 -4.952 1.00 35.50 H new ATOM 0 HA ASN A 42 -9.378 -3.592 -4.084 1.00 10.33 H new ATOM 0 HB2 ASN A 42 -9.811 -1.894 -6.580 1.00 23.35 H new ATOM 0 HB3 ASN A 42 -10.840 -3.248 -6.156 1.00 23.35 H new ATOM 0 HD21 ASN A 42 -12.243 0.095 -4.916 1.00 1.21 H new ATOM 0 HD22 ASN A 42 -11.528 -0.390 -6.457 1.00 1.21 H new ATOM 668 N GLU A 43 -7.759 -3.854 -7.005 1.00 20.13 N ATOM 669 CA GLU A 43 -7.177 -4.801 -7.969 1.00 3.03 C ATOM 670 C GLU A 43 -5.867 -5.412 -7.423 1.00 20.30 C ATOM 671 O GLU A 43 -5.593 -6.594 -7.643 1.00 1.03 O ATOM 672 CB GLU A 43 -6.932 -4.132 -9.351 1.00 64.10 C ATOM 673 CG GLU A 43 -5.884 -2.993 -9.368 1.00 3.40 C ATOM 674 CD GLU A 43 -5.467 -2.586 -10.792 1.00 34.42 C ATOM 675 OE1 GLU A 43 -4.744 -3.358 -11.448 1.00 61.53 O ATOM 676 OE2 GLU A 43 -5.877 -1.514 -11.277 1.00 55.52 O ATOM 0 H GLU A 43 -7.629 -2.873 -7.254 1.00 20.13 H new ATOM 0 HA GLU A 43 -7.899 -5.605 -8.111 1.00 3.03 H new ATOM 0 HB2 GLU A 43 -6.617 -4.901 -10.056 1.00 64.10 H new ATOM 0 HB3 GLU A 43 -7.880 -3.735 -9.715 1.00 64.10 H new ATOM 0 HG2 GLU A 43 -6.291 -2.124 -8.851 1.00 3.40 H new ATOM 0 HG3 GLU A 43 -5.001 -3.310 -8.813 1.00 3.40 H new ATOM 683 N LEU A 44 -5.093 -4.590 -6.686 1.00 50.22 N ATOM 684 CA LEU A 44 -3.751 -4.955 -6.192 1.00 0.04 C ATOM 685 C LEU A 44 -3.843 -6.125 -5.197 1.00 12.04 C ATOM 686 O LEU A 44 -3.136 -7.112 -5.349 1.00 71.31 O ATOM 687 CB LEU A 44 -3.079 -3.724 -5.527 1.00 33.12 C ATOM 688 CG LEU A 44 -1.575 -3.855 -5.158 1.00 32.20 C ATOM 689 CD1 LEU A 44 -0.713 -4.105 -6.409 1.00 1.42 C ATOM 690 CD2 LEU A 44 -1.088 -2.615 -4.371 1.00 63.11 C ATOM 0 H LEU A 44 -5.383 -3.650 -6.416 1.00 50.22 H new ATOM 0 HA LEU A 44 -3.140 -5.274 -7.036 1.00 0.04 H new ATOM 0 HB2 LEU A 44 -3.190 -2.873 -6.199 1.00 33.12 H new ATOM 0 HB3 LEU A 44 -3.631 -3.486 -4.618 1.00 33.12 H new ATOM 0 HG LEU A 44 -1.463 -4.723 -4.508 1.00 32.20 H new ATOM 0 HD11 LEU A 44 0.334 -4.192 -6.118 1.00 1.42 H new ATOM 0 HD12 LEU A 44 -1.033 -5.028 -6.893 1.00 1.42 H new ATOM 0 HD13 LEU A 44 -0.829 -3.272 -7.103 1.00 1.42 H new ATOM 0 HD21 LEU A 44 -0.033 -2.732 -4.125 1.00 63.11 H new ATOM 0 HD22 LEU A 44 -1.222 -1.721 -4.981 1.00 63.11 H new ATOM 0 HD23 LEU A 44 -1.666 -2.517 -3.452 1.00 63.11 H new ATOM 702 N LYS A 45 -4.758 -5.991 -4.215 1.00 51.04 N ATOM 703 CA LYS A 45 -5.031 -7.011 -3.172 1.00 54.40 C ATOM 704 C LYS A 45 -5.312 -8.395 -3.786 1.00 11.32 C ATOM 705 O LYS A 45 -4.729 -9.414 -3.366 1.00 4.45 O ATOM 706 CB LYS A 45 -6.246 -6.540 -2.333 1.00 11.14 C ATOM 707 CG LYS A 45 -6.748 -7.531 -1.261 1.00 64.43 C ATOM 708 CD LYS A 45 -7.925 -6.967 -0.434 1.00 22.44 C ATOM 709 CE LYS A 45 -9.121 -6.542 -1.306 1.00 44.13 C ATOM 710 NZ LYS A 45 -10.233 -5.989 -0.489 1.00 42.44 N ATOM 0 H LYS A 45 -5.340 -5.158 -4.120 1.00 51.04 H new ATOM 0 HA LYS A 45 -4.149 -7.115 -2.540 1.00 54.40 H new ATOM 0 HB2 LYS A 45 -5.982 -5.604 -1.840 1.00 11.14 H new ATOM 0 HB3 LYS A 45 -7.070 -6.321 -3.013 1.00 11.14 H new ATOM 0 HG2 LYS A 45 -7.060 -8.457 -1.745 1.00 64.43 H new ATOM 0 HG3 LYS A 45 -5.926 -7.783 -0.591 1.00 64.43 H new ATOM 0 HD2 LYS A 45 -8.253 -7.721 0.282 1.00 22.44 H new ATOM 0 HD3 LYS A 45 -7.579 -6.109 0.142 1.00 22.44 H new ATOM 0 HE2 LYS A 45 -8.795 -5.795 -2.030 1.00 44.13 H new ATOM 0 HE3 LYS A 45 -9.480 -7.400 -1.874 1.00 44.13 H new ATOM 0 HZ1 LYS A 45 -11.067 -5.841 -1.093 1.00 42.44 H new ATOM 0 HZ2 LYS A 45 -10.470 -6.657 0.272 1.00 42.44 H new ATOM 0 HZ3 LYS A 45 -9.941 -5.081 -0.074 1.00 42.44 H new ATOM 724 N ASP A 46 -6.190 -8.380 -4.809 1.00 63.33 N ATOM 725 CA ASP A 46 -6.620 -9.571 -5.554 1.00 33.50 C ATOM 726 C ASP A 46 -5.409 -10.332 -6.129 1.00 12.15 C ATOM 727 O ASP A 46 -5.326 -11.558 -6.019 1.00 0.53 O ATOM 728 CB ASP A 46 -7.597 -9.136 -6.686 1.00 62.14 C ATOM 729 CG ASP A 46 -8.158 -10.313 -7.503 1.00 11.53 C ATOM 730 OD1 ASP A 46 -9.081 -11.004 -7.006 1.00 24.24 O ATOM 731 OD2 ASP A 46 -7.673 -10.569 -8.631 1.00 54.42 O ATOM 0 H ASP A 46 -6.626 -7.521 -5.144 1.00 63.33 H new ATOM 0 HA ASP A 46 -7.135 -10.252 -4.877 1.00 33.50 H new ATOM 0 HB2 ASP A 46 -8.426 -8.583 -6.246 1.00 62.14 H new ATOM 0 HB3 ASP A 46 -7.079 -8.452 -7.358 1.00 62.14 H new ATOM 736 N TYR A 47 -4.457 -9.571 -6.686 1.00 12.32 N ATOM 737 CA TYR A 47 -3.253 -10.116 -7.325 1.00 14.11 C ATOM 738 C TYR A 47 -2.278 -10.667 -6.277 1.00 33.35 C ATOM 739 O TYR A 47 -1.860 -11.800 -6.393 1.00 13.15 O ATOM 740 CB TYR A 47 -2.550 -9.019 -8.171 1.00 14.45 C ATOM 741 CG TYR A 47 -3.412 -8.339 -9.250 1.00 43.01 C ATOM 742 CD1 TYR A 47 -4.549 -8.959 -9.788 1.00 12.32 C ATOM 743 CD2 TYR A 47 -3.078 -7.066 -9.727 1.00 15.54 C ATOM 744 CE1 TYR A 47 -5.314 -8.331 -10.754 1.00 54.13 C ATOM 745 CE2 TYR A 47 -3.840 -6.441 -10.688 1.00 3.31 C ATOM 746 CZ TYR A 47 -4.955 -7.073 -11.201 1.00 24.43 C ATOM 747 OH TYR A 47 -5.714 -6.445 -12.166 1.00 33.40 O ATOM 0 H TYR A 47 -4.502 -8.552 -6.706 1.00 12.32 H new ATOM 0 HA TYR A 47 -3.558 -10.933 -7.978 1.00 14.11 H new ATOM 0 HB2 TYR A 47 -2.178 -8.250 -7.494 1.00 14.45 H new ATOM 0 HB3 TYR A 47 -1.681 -9.464 -8.656 1.00 14.45 H new ATOM 0 HD1 TYR A 47 -4.832 -9.942 -9.443 1.00 12.32 H new ATOM 0 HD2 TYR A 47 -2.206 -6.565 -9.334 1.00 15.54 H new ATOM 0 HE1 TYR A 47 -6.188 -8.821 -11.157 1.00 54.13 H new ATOM 0 HE2 TYR A 47 -3.566 -5.458 -11.040 1.00 3.31 H new ATOM 0 HH TYR A 47 -5.566 -5.477 -12.120 1.00 33.40 H new ATOM 757 N ILE A 48 -1.977 -9.864 -5.236 1.00 5.03 N ATOM 758 CA ILE A 48 -0.999 -10.210 -4.169 1.00 31.45 C ATOM 759 C ILE A 48 -1.320 -11.589 -3.526 1.00 42.10 C ATOM 760 O ILE A 48 -0.413 -12.327 -3.114 1.00 3.32 O ATOM 761 CB ILE A 48 -0.974 -9.091 -3.055 1.00 45.10 C ATOM 762 CG1 ILE A 48 -0.558 -7.705 -3.646 1.00 23.10 C ATOM 763 CG2 ILE A 48 -0.041 -9.474 -1.885 1.00 0.21 C ATOM 764 CD1 ILE A 48 -0.740 -6.535 -2.685 1.00 61.14 C ATOM 0 H ILE A 48 -2.406 -8.948 -5.106 1.00 5.03 H new ATOM 0 HA ILE A 48 -0.016 -10.273 -4.635 1.00 31.45 H new ATOM 0 HB ILE A 48 -1.989 -9.008 -2.667 1.00 45.10 H new ATOM 0 HG12 ILE A 48 0.488 -7.751 -3.950 1.00 23.10 H new ATOM 0 HG13 ILE A 48 -1.143 -7.516 -4.546 1.00 23.10 H new ATOM 0 HG21 ILE A 48 -0.049 -8.680 -1.138 1.00 0.21 H new ATOM 0 HG22 ILE A 48 -0.388 -10.403 -1.432 1.00 0.21 H new ATOM 0 HG23 ILE A 48 0.974 -9.610 -2.258 1.00 0.21 H new ATOM 0 HD11 ILE A 48 -0.428 -5.611 -3.173 1.00 61.14 H new ATOM 0 HD12 ILE A 48 -1.789 -6.458 -2.400 1.00 61.14 H new ATOM 0 HD13 ILE A 48 -0.133 -6.698 -1.795 1.00 61.14 H new ATOM 776 N LYS A 49 -2.624 -11.912 -3.471 1.00 52.22 N ATOM 777 CA LYS A 49 -3.109 -13.206 -2.974 1.00 53.35 C ATOM 778 C LYS A 49 -2.568 -14.391 -3.824 1.00 34.44 C ATOM 779 O LYS A 49 -2.178 -15.425 -3.277 1.00 30.51 O ATOM 780 CB LYS A 49 -4.653 -13.203 -2.955 1.00 63.30 C ATOM 781 CG LYS A 49 -5.278 -14.390 -2.202 1.00 12.31 C ATOM 782 CD LYS A 49 -6.816 -14.298 -2.153 1.00 70.30 C ATOM 783 CE LYS A 49 -7.448 -15.454 -1.378 1.00 11.21 C ATOM 784 NZ LYS A 49 -8.935 -15.400 -1.412 1.00 10.45 N ATOM 0 H LYS A 49 -3.368 -11.282 -3.770 1.00 52.22 H new ATOM 0 HA LYS A 49 -2.735 -13.347 -1.960 1.00 53.35 H new ATOM 0 HB2 LYS A 49 -4.997 -12.275 -2.498 1.00 63.30 H new ATOM 0 HB3 LYS A 49 -5.018 -13.207 -3.982 1.00 63.30 H new ATOM 0 HG2 LYS A 49 -4.986 -15.321 -2.687 1.00 12.31 H new ATOM 0 HG3 LYS A 49 -4.884 -14.423 -1.186 1.00 12.31 H new ATOM 0 HD2 LYS A 49 -7.106 -13.354 -1.691 1.00 70.30 H new ATOM 0 HD3 LYS A 49 -7.209 -14.289 -3.170 1.00 70.30 H new ATOM 0 HE2 LYS A 49 -7.110 -16.401 -1.799 1.00 11.21 H new ATOM 0 HE3 LYS A 49 -7.108 -15.426 -0.343 1.00 11.21 H new ATOM 0 HZ1 LYS A 49 -9.324 -16.201 -0.875 1.00 10.45 H new ATOM 0 HZ2 LYS A 49 -9.260 -14.508 -0.987 1.00 10.45 H new ATOM 0 HZ3 LYS A 49 -9.262 -15.453 -2.398 1.00 10.45 H new ATOM 798 N LYS A 50 -2.554 -14.220 -5.161 1.00 64.01 N ATOM 799 CA LYS A 50 -2.022 -15.235 -6.099 1.00 55.34 C ATOM 800 C LYS A 50 -0.480 -15.145 -6.218 1.00 54.21 C ATOM 801 O LYS A 50 0.219 -16.161 -6.115 1.00 5.52 O ATOM 802 CB LYS A 50 -2.695 -15.084 -7.508 1.00 13.53 C ATOM 803 CG LYS A 50 -4.037 -15.859 -7.670 1.00 65.45 C ATOM 804 CD LYS A 50 -5.277 -15.071 -7.186 1.00 31.44 C ATOM 805 CE LYS A 50 -5.614 -13.892 -8.115 1.00 5.45 C ATOM 806 NZ LYS A 50 -6.885 -13.234 -7.728 1.00 33.00 N ATOM 0 H LYS A 50 -2.908 -13.381 -5.621 1.00 64.01 H new ATOM 0 HA LYS A 50 -2.265 -16.219 -5.699 1.00 55.34 H new ATOM 0 HB2 LYS A 50 -2.876 -14.026 -7.699 1.00 13.53 H new ATOM 0 HB3 LYS A 50 -1.996 -15.430 -8.269 1.00 13.53 H new ATOM 0 HG2 LYS A 50 -4.171 -16.119 -8.720 1.00 65.45 H new ATOM 0 HG3 LYS A 50 -3.974 -16.795 -7.115 1.00 65.45 H new ATOM 0 HD2 LYS A 50 -6.133 -15.743 -7.129 1.00 31.44 H new ATOM 0 HD3 LYS A 50 -5.098 -14.697 -6.178 1.00 31.44 H new ATOM 0 HE2 LYS A 50 -4.804 -13.163 -8.087 1.00 5.45 H new ATOM 0 HE3 LYS A 50 -5.687 -14.248 -9.143 1.00 5.45 H new ATOM 0 HZ1 LYS A 50 -7.201 -12.610 -8.498 1.00 33.00 H new ATOM 0 HZ2 LYS A 50 -7.610 -13.958 -7.549 1.00 33.00 H new ATOM 0 HZ3 LYS A 50 -6.736 -12.672 -6.866 1.00 33.00 H new ATOM 820 N GLN A 51 0.037 -13.925 -6.435 1.00 74.24 N ATOM 821 CA GLN A 51 1.479 -13.647 -6.509 1.00 51.12 C ATOM 822 C GLN A 51 1.982 -13.294 -5.099 1.00 23.03 C ATOM 823 O GLN A 51 2.135 -12.124 -4.740 1.00 15.41 O ATOM 824 CB GLN A 51 1.790 -12.519 -7.550 1.00 53.14 C ATOM 825 CG GLN A 51 1.425 -12.883 -9.018 1.00 31.52 C ATOM 826 CD GLN A 51 -0.072 -12.782 -9.349 1.00 60.25 C ATOM 827 OE1 GLN A 51 -0.779 -11.924 -8.847 1.00 70.13 O ATOM 828 NE2 GLN A 51 -0.566 -13.676 -10.181 1.00 31.31 N ATOM 0 H GLN A 51 -0.542 -13.095 -6.565 1.00 74.24 H new ATOM 0 HA GLN A 51 2.009 -14.532 -6.861 1.00 51.12 H new ATOM 0 HB2 GLN A 51 1.246 -11.618 -7.265 1.00 53.14 H new ATOM 0 HB3 GLN A 51 2.852 -12.279 -7.501 1.00 53.14 H new ATOM 0 HG2 GLN A 51 1.977 -12.226 -9.689 1.00 31.52 H new ATOM 0 HG3 GLN A 51 1.761 -13.900 -9.220 1.00 31.52 H new ATOM 0 HE21 GLN A 51 0.044 -14.385 -10.589 1.00 31.31 H new ATOM 0 HE22 GLN A 51 -1.558 -13.660 -10.417 1.00 31.31 H new ATOM 837 N GLY A 52 2.169 -14.350 -4.289 1.00 3.52 N ATOM 838 CA GLY A 52 2.525 -14.213 -2.881 1.00 1.42 C ATOM 839 C GLY A 52 2.236 -15.503 -2.125 1.00 71.01 C ATOM 840 O GLY A 52 1.068 -15.811 -1.860 1.00 22.30 O ATOM 0 H GLY A 52 2.076 -15.317 -4.599 1.00 3.52 H new ATOM 0 HA2 GLY A 52 3.582 -13.962 -2.791 1.00 1.42 H new ATOM 0 HA3 GLY A 52 1.963 -13.392 -2.437 1.00 1.42 H new ATOM 844 N CYS A 53 3.301 -16.275 -1.814 1.00 32.45 N ATOM 845 CA CYS A 53 3.180 -17.529 -1.036 1.00 61.20 C ATOM 846 C CYS A 53 2.735 -17.230 0.414 1.00 13.21 C ATOM 847 O CYS A 53 1.874 -17.920 0.973 1.00 53.33 O ATOM 848 CB CYS A 53 4.515 -18.311 -1.053 1.00 13.42 C ATOM 849 SG CYS A 53 4.971 -18.978 -2.702 1.00 44.31 S ATOM 0 H CYS A 53 4.257 -16.051 -2.091 1.00 32.45 H new ATOM 0 HA CYS A 53 2.416 -18.151 -1.503 1.00 61.20 H new ATOM 0 HB2 CYS A 53 5.313 -17.655 -0.705 1.00 13.42 H new ATOM 0 HB3 CYS A 53 4.449 -19.137 -0.344 1.00 13.42 H new ATOM 854 N LYS A 54 3.334 -16.180 0.990 1.00 33.54 N ATOM 855 CA LYS A 54 2.996 -15.676 2.334 1.00 10.43 C ATOM 856 C LYS A 54 2.750 -14.163 2.274 1.00 61.12 C ATOM 857 O LYS A 54 1.777 -13.668 2.856 1.00 41.31 O ATOM 858 CB LYS A 54 4.133 -15.992 3.357 1.00 3.01 C ATOM 859 CG LYS A 54 4.282 -17.489 3.773 1.00 42.14 C ATOM 860 CD LYS A 54 3.336 -17.934 4.925 1.00 34.12 C ATOM 861 CE LYS A 54 1.865 -18.101 4.506 1.00 75.12 C ATOM 862 NZ LYS A 54 0.976 -18.350 5.673 1.00 33.33 N ATOM 0 H LYS A 54 4.075 -15.648 0.534 1.00 33.54 H new ATOM 0 HA LYS A 54 2.089 -16.179 2.670 1.00 10.43 H new ATOM 0 HB2 LYS A 54 5.080 -15.657 2.933 1.00 3.01 H new ATOM 0 HB3 LYS A 54 3.960 -15.401 4.256 1.00 3.01 H new ATOM 0 HG2 LYS A 54 4.093 -18.116 2.902 1.00 42.14 H new ATOM 0 HG3 LYS A 54 5.313 -17.668 4.077 1.00 42.14 H new ATOM 0 HD2 LYS A 54 3.696 -18.880 5.330 1.00 34.12 H new ATOM 0 HD3 LYS A 54 3.392 -17.200 5.729 1.00 34.12 H new ATOM 0 HE2 LYS A 54 1.533 -17.204 3.983 1.00 75.12 H new ATOM 0 HE3 LYS A 54 1.780 -18.930 3.803 1.00 75.12 H new ATOM 0 HZ1 LYS A 54 -0.005 -18.456 5.345 1.00 33.33 H new ATOM 0 HZ2 LYS A 54 1.275 -19.220 6.158 1.00 33.33 H new ATOM 0 HZ3 LYS A 54 1.036 -17.548 6.332 1.00 33.33 H new ATOM 876 N ARG A 55 3.628 -13.432 1.551 1.00 74.23 N ATOM 877 CA ARG A 55 3.614 -11.960 1.574 1.00 54.04 C ATOM 878 C ARG A 55 4.175 -11.339 0.279 1.00 13.15 C ATOM 879 O ARG A 55 4.826 -12.012 -0.533 1.00 64.14 O ATOM 880 CB ARG A 55 4.412 -11.439 2.812 1.00 13.23 C ATOM 881 CG ARG A 55 5.959 -11.366 2.677 1.00 31.42 C ATOM 882 CD ARG A 55 6.673 -12.712 2.476 1.00 40.00 C ATOM 883 NE ARG A 55 8.129 -12.520 2.353 1.00 23.24 N ATOM 884 CZ ARG A 55 9.007 -13.455 1.953 1.00 61.05 C ATOM 885 NH1 ARG A 55 8.607 -14.682 1.628 1.00 52.34 N ATOM 886 NH2 ARG A 55 10.287 -13.149 1.861 1.00 63.31 N ATOM 0 H ARG A 55 4.347 -13.837 0.951 1.00 74.23 H new ATOM 0 HA ARG A 55 2.572 -11.649 1.648 1.00 54.04 H new ATOM 0 HB2 ARG A 55 4.046 -10.441 3.055 1.00 13.23 H new ATOM 0 HB3 ARG A 55 4.176 -12.081 3.661 1.00 13.23 H new ATOM 0 HG2 ARG A 55 6.202 -10.717 1.836 1.00 31.42 H new ATOM 0 HG3 ARG A 55 6.362 -10.892 3.572 1.00 31.42 H new ATOM 0 HD2 ARG A 55 6.459 -13.371 3.317 1.00 40.00 H new ATOM 0 HD3 ARG A 55 6.290 -13.202 1.581 1.00 40.00 H new ATOM 0 HE ARG A 55 8.501 -11.601 2.591 1.00 23.24 H new ATOM 0 HH11 ARG A 55 7.618 -14.927 1.680 1.00 52.34 H new ATOM 0 HH12 ARG A 55 9.289 -15.378 1.327 1.00 52.34 H new ATOM 0 HH21 ARG A 55 10.604 -12.208 2.093 1.00 63.31 H new ATOM 0 HH22 ARG A 55 10.959 -13.854 1.558 1.00 63.31 H new ATOM 900 N SER A 56 3.897 -10.036 0.125 1.00 60.43 N ATOM 901 CA SER A 56 4.506 -9.157 -0.885 1.00 53.43 C ATOM 902 C SER A 56 4.837 -7.803 -0.221 1.00 75.31 C ATOM 903 O SER A 56 4.222 -7.440 0.794 1.00 53.13 O ATOM 904 CB SER A 56 3.561 -8.962 -2.087 1.00 64.21 C ATOM 905 OG SER A 56 3.269 -10.208 -2.711 1.00 64.05 O ATOM 0 H SER A 56 3.223 -9.550 0.717 1.00 60.43 H new ATOM 0 HA SER A 56 5.420 -9.614 -1.264 1.00 53.43 H new ATOM 0 HB2 SER A 56 2.636 -8.491 -1.755 1.00 64.21 H new ATOM 0 HB3 SER A 56 4.020 -8.287 -2.810 1.00 64.21 H new ATOM 0 HG SER A 56 2.838 -10.805 -2.064 1.00 64.05 H new ATOM 911 N ARG A 57 5.827 -7.089 -0.766 1.00 41.43 N ATOM 912 CA ARG A 57 6.263 -5.773 -0.254 1.00 61.24 C ATOM 913 C ARG A 57 5.540 -4.647 -1.000 1.00 1.21 C ATOM 914 O ARG A 57 5.165 -4.803 -2.156 1.00 21.45 O ATOM 915 CB ARG A 57 7.796 -5.616 -0.426 1.00 54.12 C ATOM 916 CG ARG A 57 8.420 -4.434 0.349 1.00 33.04 C ATOM 917 CD ARG A 57 9.938 -4.332 0.137 1.00 21.42 C ATOM 918 NE ARG A 57 10.630 -5.609 0.413 1.00 23.44 N ATOM 919 CZ ARG A 57 11.667 -5.778 1.238 1.00 22.41 C ATOM 920 NH1 ARG A 57 12.190 -4.748 1.912 1.00 44.12 N ATOM 921 NH2 ARG A 57 12.198 -6.981 1.376 1.00 5.42 N ATOM 0 H ARG A 57 6.355 -7.404 -1.580 1.00 41.43 H new ATOM 0 HA ARG A 57 6.014 -5.712 0.805 1.00 61.24 H new ATOM 0 HB2 ARG A 57 8.279 -6.538 -0.104 1.00 54.12 H new ATOM 0 HB3 ARG A 57 8.017 -5.494 -1.486 1.00 54.12 H new ATOM 0 HG2 ARG A 57 7.948 -3.505 0.031 1.00 33.04 H new ATOM 0 HG3 ARG A 57 8.211 -4.550 1.413 1.00 33.04 H new ATOM 0 HD2 ARG A 57 10.140 -4.027 -0.890 1.00 21.42 H new ATOM 0 HD3 ARG A 57 10.342 -3.555 0.786 1.00 21.42 H new ATOM 0 HE ARG A 57 10.284 -6.437 -0.071 1.00 23.44 H new ATOM 0 HH11 ARG A 57 11.797 -3.813 1.801 1.00 44.12 H new ATOM 0 HH12 ARG A 57 12.982 -4.897 2.537 1.00 44.12 H new ATOM 0 HH21 ARG A 57 11.816 -7.770 0.855 1.00 5.42 H new ATOM 0 HH22 ARG A 57 12.990 -7.120 2.004 1.00 5.42 H new ATOM 935 N THR A 58 5.333 -3.527 -0.309 1.00 21.23 N ATOM 936 CA THR A 58 4.770 -2.299 -0.878 1.00 12.35 C ATOM 937 C THR A 58 5.541 -1.104 -0.288 1.00 35.41 C ATOM 938 O THR A 58 6.010 -1.180 0.849 1.00 13.33 O ATOM 939 CB THR A 58 3.235 -2.161 -0.559 1.00 10.41 C ATOM 940 OG1 THR A 58 2.559 -3.395 -0.854 1.00 52.03 O ATOM 941 CG2 THR A 58 2.580 -1.022 -1.368 1.00 23.34 C ATOM 0 H THR A 58 5.556 -3.444 0.683 1.00 21.23 H new ATOM 0 HA THR A 58 4.871 -2.328 -1.963 1.00 12.35 H new ATOM 0 HB THR A 58 3.143 -1.925 0.501 1.00 10.41 H new ATOM 0 HG1 THR A 58 1.605 -3.302 -0.652 1.00 52.03 H new ATOM 0 HG21 THR A 58 1.521 -0.961 -1.118 1.00 23.34 H new ATOM 0 HG22 THR A 58 3.065 -0.077 -1.124 1.00 23.34 H new ATOM 0 HG23 THR A 58 2.690 -1.223 -2.434 1.00 23.34 H new ATOM 949 N SER A 59 5.704 -0.028 -1.070 1.00 13.00 N ATOM 950 CA SER A 59 6.243 1.246 -0.581 1.00 74.54 C ATOM 951 C SER A 59 5.531 2.384 -1.326 1.00 22.32 C ATOM 952 O SER A 59 5.518 2.417 -2.562 1.00 53.45 O ATOM 953 CB SER A 59 7.778 1.319 -0.758 1.00 4.01 C ATOM 954 OG SER A 59 8.320 2.463 -0.112 1.00 10.24 O ATOM 0 H SER A 59 5.465 -0.018 -2.062 1.00 13.00 H new ATOM 0 HA SER A 59 6.058 1.338 0.489 1.00 74.54 H new ATOM 0 HB2 SER A 59 8.236 0.418 -0.351 1.00 4.01 H new ATOM 0 HB3 SER A 59 8.022 1.349 -1.820 1.00 4.01 H new ATOM 0 HG SER A 59 8.662 2.209 0.771 1.00 10.24 H new ATOM 960 N ILE A 60 4.917 3.280 -0.550 1.00 63.32 N ATOM 961 CA ILE A 60 4.072 4.378 -1.048 1.00 20.45 C ATOM 962 C ILE A 60 4.732 5.720 -0.713 1.00 1.50 C ATOM 963 O ILE A 60 5.148 5.921 0.433 1.00 13.45 O ATOM 964 CB ILE A 60 2.638 4.292 -0.391 1.00 12.33 C ATOM 965 CG1 ILE A 60 1.854 3.067 -0.963 1.00 71.22 C ATOM 966 CG2 ILE A 60 1.839 5.607 -0.542 1.00 75.50 C ATOM 967 CD1 ILE A 60 0.425 2.917 -0.463 1.00 30.32 C ATOM 0 H ILE A 60 4.993 3.265 0.467 1.00 63.32 H new ATOM 0 HA ILE A 60 3.964 4.294 -2.129 1.00 20.45 H new ATOM 0 HB ILE A 60 2.773 4.144 0.681 1.00 12.33 H new ATOM 0 HG12 ILE A 60 1.835 3.145 -2.050 1.00 71.22 H new ATOM 0 HG13 ILE A 60 2.404 2.158 -0.718 1.00 71.22 H new ATOM 0 HG21 ILE A 60 0.861 5.494 -0.074 1.00 75.50 H new ATOM 0 HG22 ILE A 60 2.381 6.420 -0.059 1.00 75.50 H new ATOM 0 HG23 ILE A 60 1.710 5.835 -1.600 1.00 75.50 H new ATOM 0 HD11 ILE A 60 -0.030 2.038 -0.920 1.00 30.32 H new ATOM 0 HD12 ILE A 60 0.429 2.802 0.621 1.00 30.32 H new ATOM 0 HD13 ILE A 60 -0.149 3.804 -0.732 1.00 30.32 H new ATOM 979 N THR A 61 4.802 6.635 -1.702 1.00 13.11 N ATOM 980 CA THR A 61 5.366 7.968 -1.492 1.00 64.44 C ATOM 981 C THR A 61 4.403 8.835 -0.650 1.00 15.12 C ATOM 982 O THR A 61 3.364 9.295 -1.145 1.00 4.02 O ATOM 983 CB THR A 61 5.669 8.699 -2.840 1.00 21.54 C ATOM 984 OG1 THR A 61 6.407 7.839 -3.723 1.00 65.31 O ATOM 985 CG2 THR A 61 6.465 10.001 -2.604 1.00 45.11 C ATOM 0 H THR A 61 4.472 6.467 -2.652 1.00 13.11 H new ATOM 0 HA THR A 61 6.307 7.833 -0.959 1.00 64.44 H new ATOM 0 HB THR A 61 4.713 8.954 -3.298 1.00 21.54 H new ATOM 0 HG1 THR A 61 6.858 8.380 -4.405 1.00 65.31 H new ATOM 0 HG21 THR A 61 6.660 10.486 -3.560 1.00 45.11 H new ATOM 0 HG22 THR A 61 5.886 10.671 -1.968 1.00 45.11 H new ATOM 0 HG23 THR A 61 7.411 9.766 -2.117 1.00 45.11 H new ATOM 993 N ALA A 62 4.750 9.008 0.625 1.00 61.23 N ATOM 994 CA ALA A 62 4.068 9.931 1.537 1.00 3.25 C ATOM 995 C ALA A 62 4.838 11.257 1.547 1.00 22.42 C ATOM 996 O ALA A 62 6.063 11.259 1.675 1.00 55.00 O ATOM 997 CB ALA A 62 4.008 9.316 2.941 1.00 61.34 C ATOM 0 H ALA A 62 5.523 8.505 1.061 1.00 61.23 H new ATOM 0 HA ALA A 62 3.045 10.114 1.207 1.00 3.25 H new ATOM 0 HB1 ALA A 62 3.501 10.003 3.618 1.00 61.34 H new ATOM 0 HB2 ALA A 62 3.460 8.374 2.903 1.00 61.34 H new ATOM 0 HB3 ALA A 62 5.020 9.133 3.301 1.00 61.34 H new ATOM 1003 N ARG A 63 4.131 12.377 1.370 1.00 34.10 N ATOM 1004 CA ARG A 63 4.761 13.711 1.383 1.00 42.20 C ATOM 1005 C ARG A 63 4.926 14.203 2.823 1.00 52.12 C ATOM 1006 O ARG A 63 5.796 15.028 3.121 1.00 44.32 O ATOM 1007 CB ARG A 63 3.937 14.692 0.528 1.00 20.13 C ATOM 1008 CG ARG A 63 3.849 14.279 -0.960 1.00 10.41 C ATOM 1009 CD ARG A 63 5.243 14.060 -1.582 1.00 4.24 C ATOM 1010 NE ARG A 63 5.171 13.744 -3.017 1.00 72.14 N ATOM 1011 CZ ARG A 63 5.217 14.644 -4.000 1.00 41.54 C ATOM 1012 NH1 ARG A 63 5.334 15.947 -3.741 1.00 44.24 N ATOM 1013 NH2 ARG A 63 5.131 14.244 -5.252 1.00 34.35 N ATOM 0 H ARG A 63 3.123 12.392 1.216 1.00 34.10 H new ATOM 0 HA ARG A 63 5.757 13.648 0.944 1.00 42.20 H new ATOM 0 HB2 ARG A 63 2.930 14.764 0.938 1.00 20.13 H new ATOM 0 HB3 ARG A 63 4.381 15.685 0.597 1.00 20.13 H new ATOM 0 HG2 ARG A 63 3.265 13.363 -1.048 1.00 10.41 H new ATOM 0 HG3 ARG A 63 3.319 15.050 -1.520 1.00 10.41 H new ATOM 0 HD2 ARG A 63 5.847 14.956 -1.440 1.00 4.24 H new ATOM 0 HD3 ARG A 63 5.749 13.249 -1.059 1.00 4.24 H new ATOM 0 HE ARG A 63 5.079 12.763 -3.280 1.00 72.14 H new ATOM 0 HH11 ARG A 63 5.390 16.272 -2.776 1.00 44.24 H new ATOM 0 HH12 ARG A 63 5.367 16.618 -4.508 1.00 44.24 H new ATOM 0 HH21 ARG A 63 5.030 13.252 -5.465 1.00 34.35 H new ATOM 0 HH22 ARG A 63 5.165 14.927 -6.009 1.00 34.35 H new ATOM 1027 N THR A 64 4.069 13.683 3.701 1.00 53.44 N ATOM 1028 CA THR A 64 4.178 13.851 5.148 1.00 65.14 C ATOM 1029 C THR A 64 3.978 12.479 5.819 1.00 31.10 C ATOM 1030 O THR A 64 3.269 11.611 5.283 1.00 71.42 O ATOM 1031 CB THR A 64 3.132 14.883 5.688 1.00 21.21 C ATOM 1032 OG1 THR A 64 1.813 14.520 5.264 1.00 34.03 O ATOM 1033 CG2 THR A 64 3.438 16.323 5.230 1.00 72.14 C ATOM 0 H THR A 64 3.264 13.123 3.420 1.00 53.44 H new ATOM 0 HA THR A 64 5.167 14.244 5.386 1.00 65.14 H new ATOM 0 HB THR A 64 3.195 14.858 6.776 1.00 21.21 H new ATOM 0 HG1 THR A 64 1.809 14.378 4.294 1.00 34.03 H new ATOM 0 HG21 THR A 64 2.684 17.000 5.631 1.00 72.14 H new ATOM 0 HG22 THR A 64 4.422 16.619 5.594 1.00 72.14 H new ATOM 0 HG23 THR A 64 3.425 16.369 4.141 1.00 72.14 H new ATOM 1041 N LYS A 65 4.601 12.293 6.993 1.00 23.12 N ATOM 1042 CA LYS A 65 4.500 11.040 7.770 1.00 11.20 C ATOM 1043 C LYS A 65 3.067 10.831 8.318 1.00 61.10 C ATOM 1044 O LYS A 65 2.699 9.714 8.676 1.00 61.31 O ATOM 1045 CB LYS A 65 5.542 11.040 8.914 1.00 43.44 C ATOM 1046 CG LYS A 65 5.370 12.187 9.937 1.00 54.42 C ATOM 1047 CD LYS A 65 6.513 12.257 10.970 1.00 71.33 C ATOM 1048 CE LYS A 65 7.882 12.567 10.339 1.00 4.33 C ATOM 1049 NZ LYS A 65 8.964 12.630 11.361 1.00 71.32 N ATOM 0 H LYS A 65 5.188 13.002 7.432 1.00 23.12 H new ATOM 0 HA LYS A 65 4.715 10.204 7.105 1.00 11.20 H new ATOM 0 HB2 LYS A 65 5.484 10.088 9.441 1.00 43.44 H new ATOM 0 HB3 LYS A 65 6.540 11.104 8.480 1.00 43.44 H new ATOM 0 HG2 LYS A 65 5.313 13.136 9.403 1.00 54.42 H new ATOM 0 HG3 LYS A 65 4.423 12.059 10.461 1.00 54.42 H new ATOM 0 HD2 LYS A 65 6.279 13.023 11.710 1.00 71.33 H new ATOM 0 HD3 LYS A 65 6.572 11.307 11.502 1.00 71.33 H new ATOM 0 HE2 LYS A 65 8.123 11.801 9.602 1.00 4.33 H new ATOM 0 HE3 LYS A 65 7.830 13.517 9.807 1.00 4.33 H new ATOM 0 HZ1 LYS A 65 9.870 12.841 10.895 1.00 71.32 H new ATOM 0 HZ2 LYS A 65 8.747 13.378 12.051 1.00 71.32 H new ATOM 0 HZ3 LYS A 65 9.032 11.716 11.852 1.00 71.32 H new ATOM 1063 N LYS A 66 2.277 11.927 8.354 1.00 35.54 N ATOM 1064 CA LYS A 66 0.851 11.896 8.719 1.00 71.03 C ATOM 1065 C LYS A 66 0.060 11.060 7.685 1.00 33.43 C ATOM 1066 O LYS A 66 -0.855 10.299 8.038 1.00 32.13 O ATOM 1067 CB LYS A 66 0.280 13.345 8.791 1.00 73.40 C ATOM 1068 CG LYS A 66 -1.144 13.432 9.396 1.00 55.44 C ATOM 1069 CD LYS A 66 -1.160 13.124 10.918 1.00 62.13 C ATOM 1070 CE LYS A 66 -2.572 12.827 11.446 1.00 4.24 C ATOM 1071 NZ LYS A 66 -3.123 11.577 10.847 1.00 45.11 N ATOM 0 H LYS A 66 2.617 12.862 8.128 1.00 35.54 H new ATOM 0 HA LYS A 66 0.748 11.433 9.701 1.00 71.03 H new ATOM 0 HB2 LYS A 66 0.954 13.961 9.386 1.00 73.40 H new ATOM 0 HB3 LYS A 66 0.263 13.768 7.787 1.00 73.40 H new ATOM 0 HG2 LYS A 66 -1.548 14.430 9.226 1.00 55.44 H new ATOM 0 HG3 LYS A 66 -1.799 12.731 8.879 1.00 55.44 H new ATOM 0 HD2 LYS A 66 -0.514 12.269 11.119 1.00 62.13 H new ATOM 0 HD3 LYS A 66 -0.744 13.973 11.461 1.00 62.13 H new ATOM 0 HE2 LYS A 66 -2.544 12.731 12.531 1.00 4.24 H new ATOM 0 HE3 LYS A 66 -3.232 13.664 11.217 1.00 4.24 H new ATOM 0 HZ1 LYS A 66 -3.907 11.227 11.434 1.00 45.11 H new ATOM 0 HZ2 LYS A 66 -3.471 11.776 9.887 1.00 45.11 H new ATOM 0 HZ3 LYS A 66 -2.376 10.855 10.801 1.00 45.11 H new ATOM 1085 N GLU A 67 0.444 11.219 6.401 1.00 55.33 N ATOM 1086 CA GLU A 67 -0.126 10.451 5.283 1.00 24.52 C ATOM 1087 C GLU A 67 0.367 9.001 5.326 1.00 34.33 C ATOM 1088 O GLU A 67 -0.406 8.078 5.094 1.00 2.13 O ATOM 1089 CB GLU A 67 0.227 11.107 3.923 1.00 74.24 C ATOM 1090 CG GLU A 67 -0.305 12.544 3.779 1.00 51.44 C ATOM 1091 CD GLU A 67 0.151 13.225 2.486 1.00 75.44 C ATOM 1092 OE1 GLU A 67 1.348 13.557 2.380 1.00 0.45 O ATOM 1093 OE2 GLU A 67 -0.677 13.439 1.577 1.00 30.44 O ATOM 0 H GLU A 67 1.160 11.886 6.114 1.00 55.33 H new ATOM 0 HA GLU A 67 -1.211 10.453 5.386 1.00 24.52 H new ATOM 0 HB2 GLU A 67 1.310 11.115 3.803 1.00 74.24 H new ATOM 0 HB3 GLU A 67 -0.179 10.495 3.117 1.00 74.24 H new ATOM 0 HG2 GLU A 67 -1.394 12.527 3.809 1.00 51.44 H new ATOM 0 HG3 GLU A 67 0.028 13.136 4.632 1.00 51.44 H new ATOM 1100 N ALA A 68 1.661 8.820 5.668 1.00 72.04 N ATOM 1101 CA ALA A 68 2.287 7.487 5.800 1.00 12.33 C ATOM 1102 C ALA A 68 1.498 6.580 6.772 1.00 34.34 C ATOM 1103 O ALA A 68 1.399 5.373 6.558 1.00 44.03 O ATOM 1104 CB ALA A 68 3.752 7.626 6.253 1.00 5.21 C ATOM 0 H ALA A 68 2.299 9.592 5.860 1.00 72.04 H new ATOM 0 HA ALA A 68 2.266 7.011 4.820 1.00 12.33 H new ATOM 0 HB1 ALA A 68 4.200 6.636 6.346 1.00 5.21 H new ATOM 0 HB2 ALA A 68 4.307 8.208 5.517 1.00 5.21 H new ATOM 0 HB3 ALA A 68 3.788 8.132 7.218 1.00 5.21 H new ATOM 1110 N GLU A 69 0.915 7.201 7.819 1.00 32.34 N ATOM 1111 CA GLU A 69 0.104 6.507 8.834 1.00 73.31 C ATOM 1112 C GLU A 69 -1.198 5.930 8.247 1.00 42.41 C ATOM 1113 O GLU A 69 -1.527 4.763 8.491 1.00 74.44 O ATOM 1114 CB GLU A 69 -0.229 7.468 9.995 1.00 63.32 C ATOM 1115 CG GLU A 69 0.992 7.946 10.795 1.00 3.04 C ATOM 1116 CD GLU A 69 0.589 8.906 11.918 1.00 51.11 C ATOM 1117 OE1 GLU A 69 0.254 10.070 11.616 1.00 15.15 O ATOM 1118 OE2 GLU A 69 0.539 8.489 13.097 1.00 43.24 O ATOM 0 H GLU A 69 0.996 8.205 7.982 1.00 32.34 H new ATOM 0 HA GLU A 69 0.697 5.671 9.204 1.00 73.31 H new ATOM 0 HB2 GLU A 69 -0.747 8.338 9.592 1.00 63.32 H new ATOM 0 HB3 GLU A 69 -0.921 6.971 10.675 1.00 63.32 H new ATOM 0 HG2 GLU A 69 1.509 7.086 11.219 1.00 3.04 H new ATOM 0 HG3 GLU A 69 1.695 8.442 10.126 1.00 3.04 H new ATOM 1125 N LYS A 70 -1.936 6.759 7.481 1.00 3.31 N ATOM 1126 CA LYS A 70 -3.267 6.379 6.963 1.00 35.43 C ATOM 1127 C LYS A 70 -3.157 5.432 5.752 1.00 14.51 C ATOM 1128 O LYS A 70 -4.030 4.590 5.568 1.00 72.43 O ATOM 1129 CB LYS A 70 -4.146 7.629 6.664 1.00 1.23 C ATOM 1130 CG LYS A 70 -3.555 8.667 5.684 1.00 54.14 C ATOM 1131 CD LYS A 70 -4.413 9.956 5.628 1.00 72.31 C ATOM 1132 CE LYS A 70 -3.803 11.048 4.731 1.00 33.11 C ATOM 1133 NZ LYS A 70 -3.692 10.614 3.314 1.00 54.43 N ATOM 0 H LYS A 70 -1.634 7.694 7.208 1.00 3.31 H new ATOM 0 HA LYS A 70 -3.777 5.821 7.748 1.00 35.43 H new ATOM 0 HB2 LYS A 70 -5.101 7.287 6.265 1.00 1.23 H new ATOM 0 HB3 LYS A 70 -4.357 8.132 7.608 1.00 1.23 H new ATOM 0 HG2 LYS A 70 -2.539 8.919 5.990 1.00 54.14 H new ATOM 0 HG3 LYS A 70 -3.489 8.230 4.688 1.00 54.14 H new ATOM 0 HD2 LYS A 70 -5.409 9.707 5.261 1.00 72.31 H new ATOM 0 HD3 LYS A 70 -4.534 10.349 6.637 1.00 72.31 H new ATOM 0 HE2 LYS A 70 -4.417 11.947 4.787 1.00 33.11 H new ATOM 0 HE3 LYS A 70 -2.815 11.314 5.106 1.00 33.11 H new ATOM 0 HZ1 LYS A 70 -2.708 10.720 2.994 1.00 54.43 H new ATOM 0 HZ2 LYS A 70 -3.976 9.617 3.233 1.00 54.43 H new ATOM 0 HZ3 LYS A 70 -4.314 11.200 2.722 1.00 54.43 H new ATOM 1147 N PHE A 71 -2.070 5.550 4.950 1.00 62.14 N ATOM 1148 CA PHE A 71 -1.773 4.576 3.867 1.00 74.25 C ATOM 1149 C PHE A 71 -1.290 3.248 4.468 1.00 51.04 C ATOM 1150 O PHE A 71 -1.516 2.191 3.887 1.00 24.32 O ATOM 1151 CB PHE A 71 -0.722 5.117 2.854 1.00 42.51 C ATOM 1152 CG PHE A 71 -1.253 6.197 1.905 1.00 52.00 C ATOM 1153 CD1 PHE A 71 -1.585 7.443 2.380 1.00 4.30 C ATOM 1154 CD2 PHE A 71 -1.392 5.973 0.543 1.00 62.24 C ATOM 1155 CE1 PHE A 71 -2.034 8.438 1.549 1.00 63.11 C ATOM 1156 CE2 PHE A 71 -1.841 6.970 -0.296 1.00 41.43 C ATOM 1157 CZ PHE A 71 -2.161 8.201 0.209 1.00 71.43 C ATOM 0 H PHE A 71 -1.388 6.304 5.031 1.00 62.14 H new ATOM 0 HA PHE A 71 -2.700 4.414 3.316 1.00 74.25 H new ATOM 0 HB2 PHE A 71 0.124 5.523 3.409 1.00 42.51 H new ATOM 0 HB3 PHE A 71 -0.344 4.284 2.261 1.00 42.51 H new ATOM 0 HD1 PHE A 71 -1.490 7.645 3.437 1.00 4.30 H new ATOM 0 HD2 PHE A 71 -1.145 5.004 0.135 1.00 62.24 H new ATOM 0 HE1 PHE A 71 -2.287 9.407 1.953 1.00 63.11 H new ATOM 0 HE2 PHE A 71 -1.941 6.779 -1.354 1.00 41.43 H new ATOM 0 HZ PHE A 71 -2.513 8.982 -0.449 1.00 71.43 H new ATOM 1167 N ALA A 72 -0.621 3.320 5.635 1.00 52.22 N ATOM 1168 CA ALA A 72 -0.254 2.124 6.407 1.00 43.32 C ATOM 1169 C ALA A 72 -1.517 1.411 6.892 1.00 54.40 C ATOM 1170 O ALA A 72 -1.608 0.208 6.798 1.00 4.44 O ATOM 1171 CB ALA A 72 0.634 2.478 7.598 1.00 43.12 C ATOM 0 H ALA A 72 -0.325 4.198 6.062 1.00 52.22 H new ATOM 0 HA ALA A 72 0.312 1.461 5.752 1.00 43.32 H new ATOM 0 HB1 ALA A 72 0.886 1.570 8.146 1.00 43.12 H new ATOM 0 HB2 ALA A 72 1.548 2.953 7.242 1.00 43.12 H new ATOM 0 HB3 ALA A 72 0.102 3.164 8.257 1.00 43.12 H new ATOM 1177 N ALA A 73 -2.499 2.184 7.386 1.00 1.34 N ATOM 1178 CA ALA A 73 -3.785 1.637 7.859 1.00 70.41 C ATOM 1179 C ALA A 73 -4.560 0.952 6.710 1.00 72.53 C ATOM 1180 O ALA A 73 -5.320 0.009 6.942 1.00 15.21 O ATOM 1181 CB ALA A 73 -4.631 2.746 8.509 1.00 24.53 C ATOM 0 H ALA A 73 -2.426 3.198 7.469 1.00 1.34 H new ATOM 0 HA ALA A 73 -3.575 0.877 8.611 1.00 70.41 H new ATOM 0 HB1 ALA A 73 -5.577 2.328 8.853 1.00 24.53 H new ATOM 0 HB2 ALA A 73 -4.090 3.166 9.357 1.00 24.53 H new ATOM 0 HB3 ALA A 73 -4.826 3.531 7.778 1.00 24.53 H new ATOM 1187 N ILE A 74 -4.337 1.445 5.476 1.00 60.34 N ATOM 1188 CA ILE A 74 -4.912 0.881 4.244 1.00 20.32 C ATOM 1189 C ILE A 74 -4.198 -0.436 3.848 1.00 50.34 C ATOM 1190 O ILE A 74 -4.860 -1.434 3.570 1.00 51.21 O ATOM 1191 CB ILE A 74 -4.843 1.936 3.069 1.00 61.04 C ATOM 1192 CG1 ILE A 74 -5.740 3.170 3.393 1.00 31.42 C ATOM 1193 CG2 ILE A 74 -5.262 1.306 1.724 1.00 11.14 C ATOM 1194 CD1 ILE A 74 -5.575 4.354 2.453 1.00 1.30 C ATOM 0 H ILE A 74 -3.744 2.257 5.307 1.00 60.34 H new ATOM 0 HA ILE A 74 -5.959 0.646 4.433 1.00 20.32 H new ATOM 0 HB ILE A 74 -3.808 2.267 2.977 1.00 61.04 H new ATOM 0 HG12 ILE A 74 -6.783 2.855 3.376 1.00 31.42 H new ATOM 0 HG13 ILE A 74 -5.523 3.500 4.409 1.00 31.42 H new ATOM 0 HG21 ILE A 74 -5.204 2.057 0.936 1.00 11.14 H new ATOM 0 HG22 ILE A 74 -4.594 0.478 1.486 1.00 11.14 H new ATOM 0 HG23 ILE A 74 -6.285 0.937 1.798 1.00 11.14 H new ATOM 0 HD11 ILE A 74 -6.241 5.160 2.762 1.00 1.30 H new ATOM 0 HD12 ILE A 74 -4.543 4.703 2.486 1.00 1.30 H new ATOM 0 HD13 ILE A 74 -5.823 4.049 1.436 1.00 1.30 H new ATOM 1206 N LEU A 75 -2.852 -0.425 3.846 1.00 14.35 N ATOM 1207 CA LEU A 75 -2.031 -1.583 3.418 1.00 43.24 C ATOM 1208 C LEU A 75 -2.139 -2.755 4.418 1.00 33.00 C ATOM 1209 O LEU A 75 -2.259 -3.907 4.010 1.00 24.25 O ATOM 1210 CB LEU A 75 -0.552 -1.150 3.219 1.00 61.32 C ATOM 1211 CG LEU A 75 -0.281 -0.164 2.040 1.00 21.22 C ATOM 1212 CD1 LEU A 75 1.194 0.294 2.020 1.00 0.54 C ATOM 1213 CD2 LEU A 75 -0.694 -0.787 0.693 1.00 24.42 C ATOM 0 H LEU A 75 -2.301 0.382 4.139 1.00 14.35 H new ATOM 0 HA LEU A 75 -2.419 -1.938 2.463 1.00 43.24 H new ATOM 0 HB2 LEU A 75 -0.202 -0.687 4.142 1.00 61.32 H new ATOM 0 HB3 LEU A 75 0.050 -2.045 3.064 1.00 61.32 H new ATOM 0 HG LEU A 75 -0.896 0.722 2.198 1.00 21.22 H new ATOM 0 HD11 LEU A 75 1.351 0.980 1.187 1.00 0.54 H new ATOM 0 HD12 LEU A 75 1.431 0.800 2.956 1.00 0.54 H new ATOM 0 HD13 LEU A 75 1.843 -0.574 1.902 1.00 0.54 H new ATOM 0 HD21 LEU A 75 -0.495 -0.079 -0.112 1.00 24.42 H new ATOM 0 HD22 LEU A 75 -0.122 -1.699 0.524 1.00 24.42 H new ATOM 0 HD23 LEU A 75 -1.758 -1.024 0.713 1.00 24.42 H new ATOM 1225 N ILE A 76 -2.116 -2.427 5.721 1.00 34.12 N ATOM 1226 CA ILE A 76 -2.355 -3.389 6.814 1.00 33.14 C ATOM 1227 C ILE A 76 -3.742 -4.037 6.626 1.00 12.12 C ATOM 1228 O ILE A 76 -3.864 -5.247 6.739 1.00 34.13 O ATOM 1229 CB ILE A 76 -2.215 -2.701 8.256 1.00 71.11 C ATOM 1230 CG1 ILE A 76 -0.728 -2.687 8.756 1.00 3.50 C ATOM 1231 CG2 ILE A 76 -3.122 -3.352 9.334 1.00 21.33 C ATOM 1232 CD1 ILE A 76 0.262 -1.979 7.853 1.00 33.25 C ATOM 0 H ILE A 76 -1.930 -1.479 6.049 1.00 34.12 H new ATOM 0 HA ILE A 76 -1.591 -4.165 6.771 1.00 33.14 H new ATOM 0 HB ILE A 76 -2.553 -1.674 8.116 1.00 71.11 H new ATOM 0 HG12 ILE A 76 -0.699 -2.215 9.738 1.00 3.50 H new ATOM 0 HG13 ILE A 76 -0.399 -3.718 8.888 1.00 3.50 H new ATOM 0 HG21 ILE A 76 -2.980 -2.841 10.286 1.00 21.33 H new ATOM 0 HG22 ILE A 76 -4.165 -3.269 9.030 1.00 21.33 H new ATOM 0 HG23 ILE A 76 -2.858 -4.404 9.444 1.00 21.33 H new ATOM 0 HD11 ILE A 76 1.258 -2.030 8.294 1.00 33.25 H new ATOM 0 HD12 ILE A 76 0.273 -2.462 6.876 1.00 33.25 H new ATOM 0 HD13 ILE A 76 -0.031 -0.935 7.739 1.00 33.25 H new ATOM 1244 N LYS A 77 -4.752 -3.206 6.274 1.00 33.23 N ATOM 1245 CA LYS A 77 -6.146 -3.659 6.057 1.00 3.14 C ATOM 1246 C LYS A 77 -6.231 -4.652 4.879 1.00 5.15 C ATOM 1247 O LYS A 77 -6.860 -5.702 4.982 1.00 15.04 O ATOM 1248 CB LYS A 77 -7.065 -2.436 5.789 1.00 13.31 C ATOM 1249 CG LYS A 77 -8.570 -2.771 5.692 1.00 51.20 C ATOM 1250 CD LYS A 77 -9.453 -1.524 5.456 1.00 12.42 C ATOM 1251 CE LYS A 77 -9.352 -0.483 6.588 1.00 44.40 C ATOM 1252 NZ LYS A 77 -10.272 0.667 6.365 1.00 34.41 N ATOM 0 H LYS A 77 -4.623 -2.204 6.133 1.00 33.23 H new ATOM 0 HA LYS A 77 -6.482 -4.172 6.958 1.00 3.14 H new ATOM 0 HB2 LYS A 77 -6.919 -1.707 6.586 1.00 13.31 H new ATOM 0 HB3 LYS A 77 -6.752 -1.959 4.860 1.00 13.31 H new ATOM 0 HG2 LYS A 77 -8.727 -3.480 4.879 1.00 51.20 H new ATOM 0 HG3 LYS A 77 -8.887 -3.265 6.611 1.00 51.20 H new ATOM 0 HD2 LYS A 77 -9.165 -1.056 4.515 1.00 12.42 H new ATOM 0 HD3 LYS A 77 -10.492 -1.837 5.351 1.00 12.42 H new ATOM 0 HE2 LYS A 77 -9.588 -0.958 7.541 1.00 44.40 H new ATOM 0 HE3 LYS A 77 -8.327 -0.120 6.658 1.00 44.40 H new ATOM 0 HZ1 LYS A 77 -10.175 1.346 7.147 1.00 34.41 H new ATOM 0 HZ2 LYS A 77 -10.031 1.135 5.468 1.00 34.41 H new ATOM 0 HZ3 LYS A 77 -11.253 0.324 6.324 1.00 34.41 H new ATOM 1266 N VAL A 78 -5.551 -4.293 3.780 1.00 64.01 N ATOM 1267 CA VAL A 78 -5.516 -5.063 2.524 1.00 12.21 C ATOM 1268 C VAL A 78 -4.930 -6.472 2.739 1.00 35.34 C ATOM 1269 O VAL A 78 -5.552 -7.475 2.361 1.00 14.34 O ATOM 1270 CB VAL A 78 -4.709 -4.239 1.439 1.00 53.03 C ATOM 1271 CG1 VAL A 78 -4.181 -5.105 0.275 1.00 25.13 C ATOM 1272 CG2 VAL A 78 -5.589 -3.078 0.913 1.00 55.34 C ATOM 0 H VAL A 78 -4.996 -3.438 3.737 1.00 64.01 H new ATOM 0 HA VAL A 78 -6.534 -5.214 2.164 1.00 12.21 H new ATOM 0 HB VAL A 78 -3.822 -3.839 1.931 1.00 53.03 H new ATOM 0 HG11 VAL A 78 -3.638 -4.475 -0.430 1.00 25.13 H new ATOM 0 HG12 VAL A 78 -3.512 -5.872 0.666 1.00 25.13 H new ATOM 0 HG13 VAL A 78 -5.019 -5.581 -0.234 1.00 25.13 H new ATOM 0 HG21 VAL A 78 -5.034 -2.510 0.166 1.00 55.34 H new ATOM 0 HG22 VAL A 78 -6.495 -3.483 0.462 1.00 55.34 H new ATOM 0 HG23 VAL A 78 -5.859 -2.422 1.741 1.00 55.34 H new ATOM 1282 N TYR A 79 -3.754 -6.533 3.376 1.00 44.20 N ATOM 1283 CA TYR A 79 -3.082 -7.804 3.688 1.00 21.23 C ATOM 1284 C TYR A 79 -3.800 -8.559 4.842 1.00 1.11 C ATOM 1285 O TYR A 79 -3.642 -9.779 4.982 1.00 25.21 O ATOM 1286 CB TYR A 79 -1.590 -7.554 4.028 1.00 34.24 C ATOM 1287 CG TYR A 79 -0.677 -7.214 2.833 1.00 22.12 C ATOM 1288 CD1 TYR A 79 -0.703 -5.953 2.231 1.00 21.25 C ATOM 1289 CD2 TYR A 79 0.226 -8.155 2.325 1.00 64.34 C ATOM 1290 CE1 TYR A 79 0.128 -5.643 1.172 1.00 21.21 C ATOM 1291 CE2 TYR A 79 1.061 -7.848 1.268 1.00 10.05 C ATOM 1292 CZ TYR A 79 1.009 -6.591 0.695 1.00 15.44 C ATOM 1293 OH TYR A 79 1.843 -6.280 -0.358 1.00 3.32 O ATOM 0 H TYR A 79 -3.242 -5.708 3.689 1.00 44.20 H new ATOM 0 HA TYR A 79 -3.133 -8.440 2.804 1.00 21.23 H new ATOM 0 HB2 TYR A 79 -1.533 -6.738 4.748 1.00 34.24 H new ATOM 0 HB3 TYR A 79 -1.196 -8.442 4.521 1.00 34.24 H new ATOM 0 HD1 TYR A 79 -1.388 -5.205 2.602 1.00 21.25 H new ATOM 0 HD2 TYR A 79 0.271 -9.139 2.767 1.00 64.34 H new ATOM 0 HE1 TYR A 79 0.088 -4.663 0.720 1.00 21.21 H new ATOM 0 HE2 TYR A 79 1.752 -8.587 0.891 1.00 10.05 H new ATOM 0 HH TYR A 79 1.981 -5.310 -0.391 1.00 3.32 H new ATOM 1303 N ALA A 80 -4.598 -7.826 5.653 1.00 20.51 N ATOM 1304 CA ALA A 80 -5.410 -8.418 6.738 1.00 55.15 C ATOM 1305 C ALA A 80 -6.610 -9.188 6.172 1.00 60.13 C ATOM 1306 O ALA A 80 -7.094 -10.141 6.793 1.00 0.04 O ATOM 1307 CB ALA A 80 -5.883 -7.341 7.719 1.00 24.44 C ATOM 0 H ALA A 80 -4.696 -6.814 5.573 1.00 20.51 H new ATOM 0 HA ALA A 80 -4.776 -9.121 7.278 1.00 55.15 H new ATOM 0 HB1 ALA A 80 -6.478 -7.803 8.507 1.00 24.44 H new ATOM 0 HB2 ALA A 80 -5.018 -6.846 8.160 1.00 24.44 H new ATOM 0 HB3 ALA A 80 -6.490 -6.607 7.189 1.00 24.44 H new ATOM 1313 N GLU A 81 -7.094 -8.735 5.001 1.00 34.01 N ATOM 1314 CA GLU A 81 -8.150 -9.421 4.235 1.00 15.00 C ATOM 1315 C GLU A 81 -7.583 -10.682 3.558 1.00 1.54 C ATOM 1316 O GLU A 81 -8.302 -11.668 3.355 1.00 45.51 O ATOM 1317 CB GLU A 81 -8.751 -8.447 3.187 1.00 13.24 C ATOM 1318 CG GLU A 81 -9.449 -7.215 3.803 1.00 35.03 C ATOM 1319 CD GLU A 81 -9.918 -6.196 2.753 1.00 35.31 C ATOM 1320 OE1 GLU A 81 -9.141 -5.285 2.396 1.00 15.01 O ATOM 1321 OE2 GLU A 81 -11.061 -6.321 2.258 1.00 2.15 O ATOM 0 H GLU A 81 -6.762 -7.879 4.558 1.00 34.01 H new ATOM 0 HA GLU A 81 -8.944 -9.733 4.913 1.00 15.00 H new ATOM 0 HB2 GLU A 81 -7.956 -8.107 2.524 1.00 13.24 H new ATOM 0 HB3 GLU A 81 -9.469 -8.989 2.572 1.00 13.24 H new ATOM 0 HG2 GLU A 81 -10.308 -7.546 4.387 1.00 35.03 H new ATOM 0 HG3 GLU A 81 -8.763 -6.725 4.494 1.00 35.03 H new ATOM 1328 N LEU A 82 -6.276 -10.642 3.236 1.00 64.41 N ATOM 1329 CA LEU A 82 -5.571 -11.767 2.600 1.00 72.23 C ATOM 1330 C LEU A 82 -5.210 -12.867 3.619 1.00 51.31 C ATOM 1331 O LEU A 82 -5.114 -14.042 3.242 1.00 5.52 O ATOM 1332 CB LEU A 82 -4.296 -11.261 1.867 1.00 41.03 C ATOM 1333 CG LEU A 82 -4.547 -10.244 0.710 1.00 13.41 C ATOM 1334 CD1 LEU A 82 -3.233 -9.848 0.013 1.00 13.14 C ATOM 1335 CD2 LEU A 82 -5.577 -10.794 -0.300 1.00 72.41 C ATOM 0 H LEU A 82 -5.682 -9.831 3.409 1.00 64.41 H new ATOM 0 HA LEU A 82 -6.247 -12.210 1.869 1.00 72.23 H new ATOM 0 HB2 LEU A 82 -3.637 -10.796 2.600 1.00 41.03 H new ATOM 0 HB3 LEU A 82 -3.765 -12.122 1.462 1.00 41.03 H new ATOM 0 HG LEU A 82 -4.966 -9.339 1.151 1.00 13.41 H new ATOM 0 HD11 LEU A 82 -3.445 -9.139 -0.787 1.00 13.14 H new ATOM 0 HD12 LEU A 82 -2.561 -9.387 0.737 1.00 13.14 H new ATOM 0 HD13 LEU A 82 -2.761 -10.737 -0.405 1.00 13.14 H new ATOM 0 HD21 LEU A 82 -5.732 -10.065 -1.095 1.00 72.41 H new ATOM 0 HD22 LEU A 82 -5.205 -11.725 -0.729 1.00 72.41 H new ATOM 0 HD23 LEU A 82 -6.522 -10.982 0.210 1.00 72.41 H new ATOM 1347 N GLY A 83 -5.037 -12.495 4.904 1.00 41.53 N ATOM 1348 CA GLY A 83 -4.717 -13.477 5.947 1.00 73.33 C ATOM 1349 C GLY A 83 -4.566 -12.846 7.328 1.00 21.22 C ATOM 1350 O GLY A 83 -5.571 -12.482 7.952 1.00 2.31 O ATOM 0 H GLY A 83 -5.113 -11.534 5.236 1.00 41.53 H new ATOM 0 HA2 GLY A 83 -5.502 -14.232 5.982 1.00 73.33 H new ATOM 0 HA3 GLY A 83 -3.792 -13.991 5.684 1.00 73.33 H new ATOM 1354 N TYR A 84 -3.306 -12.715 7.789 1.00 15.40 N ATOM 1355 CA TYR A 84 -2.973 -12.202 9.136 1.00 4.31 C ATOM 1356 C TYR A 84 -3.386 -10.731 9.279 1.00 42.11 C ATOM 1357 O TYR A 84 -3.122 -9.927 8.392 1.00 30.30 O ATOM 1358 CB TYR A 84 -1.447 -12.371 9.418 1.00 52.54 C ATOM 1359 CG TYR A 84 -1.019 -13.815 9.733 1.00 61.53 C ATOM 1360 CD1 TYR A 84 -1.252 -14.857 8.830 1.00 14.43 C ATOM 1361 CD2 TYR A 84 -0.406 -14.138 10.946 1.00 42.14 C ATOM 1362 CE1 TYR A 84 -0.890 -16.158 9.123 1.00 45.03 C ATOM 1363 CE2 TYR A 84 -0.048 -15.440 11.245 1.00 13.31 C ATOM 1364 CZ TYR A 84 -0.291 -16.444 10.329 1.00 64.51 C ATOM 1365 OH TYR A 84 0.043 -17.745 10.631 1.00 53.32 O ATOM 0 H TYR A 84 -2.486 -12.963 7.236 1.00 15.40 H new ATOM 0 HA TYR A 84 -3.531 -12.783 9.871 1.00 4.31 H new ATOM 0 HB2 TYR A 84 -0.888 -12.019 8.551 1.00 52.54 H new ATOM 0 HB3 TYR A 84 -1.171 -11.731 10.256 1.00 52.54 H new ATOM 0 HD1 TYR A 84 -1.725 -14.640 7.884 1.00 14.43 H new ATOM 0 HD2 TYR A 84 -0.208 -13.356 11.664 1.00 42.14 H new ATOM 0 HE1 TYR A 84 -1.076 -16.947 8.409 1.00 45.03 H new ATOM 0 HE2 TYR A 84 0.420 -15.670 12.191 1.00 13.31 H new ATOM 0 HH TYR A 84 0.107 -18.267 9.804 1.00 53.32 H new ATOM 1375 N ASN A 85 -4.056 -10.407 10.394 1.00 63.44 N ATOM 1376 CA ASN A 85 -4.491 -9.027 10.693 1.00 72.21 C ATOM 1377 C ASN A 85 -3.290 -8.177 11.123 1.00 51.51 C ATOM 1378 O ASN A 85 -3.208 -6.982 10.809 1.00 74.14 O ATOM 1379 CB ASN A 85 -5.597 -9.033 11.776 1.00 71.44 C ATOM 1380 CG ASN A 85 -6.862 -9.813 11.369 1.00 1.51 C ATOM 1381 OD1 ASN A 85 -7.547 -10.386 12.219 1.00 13.33 O ATOM 1382 ND2 ASN A 85 -7.197 -9.839 10.077 1.00 32.23 N ATOM 0 H ASN A 85 -4.312 -11.085 11.112 1.00 63.44 H new ATOM 0 HA ASN A 85 -4.912 -8.583 9.791 1.00 72.21 H new ATOM 0 HB2 ASN A 85 -5.194 -9.466 12.692 1.00 71.44 H new ATOM 0 HB3 ASN A 85 -5.874 -8.004 12.005 1.00 71.44 H new ATOM 0 HD21 ASN A 85 -8.034 -10.340 9.777 1.00 32.23 H new ATOM 0 HD22 ASN A 85 -6.616 -9.358 9.390 1.00 32.23 H new ATOM 1389 N ASP A 86 -2.371 -8.825 11.856 1.00 53.31 N ATOM 1390 CA ASP A 86 -1.051 -8.272 12.175 1.00 75.23 C ATOM 1391 C ASP A 86 -0.195 -8.273 10.895 1.00 23.30 C ATOM 1392 O ASP A 86 -0.014 -9.322 10.271 1.00 61.35 O ATOM 1393 CB ASP A 86 -0.364 -9.092 13.313 1.00 42.34 C ATOM 1394 CG ASP A 86 -0.179 -10.596 13.001 1.00 14.32 C ATOM 1395 OD1 ASP A 86 -1.197 -11.327 12.948 1.00 23.34 O ATOM 1396 OD2 ASP A 86 0.980 -11.057 12.831 1.00 53.01 O ATOM 0 H ASP A 86 -2.527 -9.755 12.246 1.00 53.31 H new ATOM 0 HA ASP A 86 -1.159 -7.250 12.538 1.00 75.23 H new ATOM 0 HB2 ASP A 86 0.613 -8.654 13.520 1.00 42.34 H new ATOM 0 HB3 ASP A 86 -0.956 -8.993 14.223 1.00 42.34 H new ATOM 1401 N ILE A 87 0.249 -7.074 10.462 1.00 54.24 N ATOM 1402 CA ILE A 87 1.098 -6.891 9.260 1.00 25.43 C ATOM 1403 C ILE A 87 2.318 -6.015 9.629 1.00 51.53 C ATOM 1404 O ILE A 87 2.226 -5.153 10.516 1.00 63.52 O ATOM 1405 CB ILE A 87 0.266 -6.258 8.067 1.00 71.35 C ATOM 1406 CG1 ILE A 87 -0.944 -7.174 7.680 1.00 53.21 C ATOM 1407 CG2 ILE A 87 1.141 -5.972 6.821 1.00 1.21 C ATOM 1408 CD1 ILE A 87 -0.557 -8.572 7.206 1.00 43.34 C ATOM 0 H ILE A 87 0.029 -6.199 10.938 1.00 54.24 H new ATOM 0 HA ILE A 87 1.454 -7.863 8.917 1.00 25.43 H new ATOM 0 HB ILE A 87 -0.113 -5.301 8.425 1.00 71.35 H new ATOM 0 HG12 ILE A 87 -1.603 -7.267 8.543 1.00 53.21 H new ATOM 0 HG13 ILE A 87 -1.517 -6.684 6.893 1.00 53.21 H new ATOM 0 HG21 ILE A 87 0.523 -5.540 6.034 1.00 1.21 H new ATOM 0 HG22 ILE A 87 1.934 -5.272 7.086 1.00 1.21 H new ATOM 0 HG23 ILE A 87 1.583 -6.903 6.465 1.00 1.21 H new ATOM 0 HD11 ILE A 87 -1.457 -9.135 6.960 1.00 43.34 H new ATOM 0 HD12 ILE A 87 0.075 -8.494 6.322 1.00 43.34 H new ATOM 0 HD13 ILE A 87 -0.012 -9.087 7.997 1.00 43.34 H new ATOM 1420 N ASN A 88 3.452 -6.229 8.935 1.00 62.25 N ATOM 1421 CA ASN A 88 4.718 -5.540 9.214 1.00 11.43 C ATOM 1422 C ASN A 88 4.749 -4.199 8.451 1.00 50.23 C ATOM 1423 O ASN A 88 4.547 -4.157 7.233 1.00 73.44 O ATOM 1424 CB ASN A 88 5.909 -6.448 8.795 1.00 63.35 C ATOM 1425 CG ASN A 88 7.286 -5.795 8.965 1.00 31.51 C ATOM 1426 OD1 ASN A 88 7.506 -4.984 9.868 1.00 4.34 O ATOM 1427 ND2 ASN A 88 8.224 -6.144 8.098 1.00 14.04 N ATOM 0 H ASN A 88 3.512 -6.890 8.161 1.00 62.25 H new ATOM 0 HA ASN A 88 4.803 -5.334 10.281 1.00 11.43 H new ATOM 0 HB2 ASN A 88 5.878 -7.364 9.385 1.00 63.35 H new ATOM 0 HB3 ASN A 88 5.782 -6.736 7.752 1.00 63.35 H new ATOM 0 HD21 ASN A 88 9.158 -5.740 8.167 1.00 14.04 H new ATOM 0 HD22 ASN A 88 8.013 -6.817 7.362 1.00 14.04 H new ATOM 1434 N VAL A 89 4.979 -3.113 9.200 1.00 42.25 N ATOM 1435 CA VAL A 89 5.013 -1.737 8.680 1.00 2.20 C ATOM 1436 C VAL A 89 6.218 -0.987 9.267 1.00 32.51 C ATOM 1437 O VAL A 89 6.603 -1.217 10.420 1.00 60.44 O ATOM 1438 CB VAL A 89 3.669 -0.975 9.014 1.00 1.10 C ATOM 1439 CG1 VAL A 89 3.311 -1.058 10.518 1.00 64.12 C ATOM 1440 CG2 VAL A 89 3.699 0.496 8.524 1.00 13.31 C ATOM 0 H VAL A 89 5.150 -3.166 10.204 1.00 42.25 H new ATOM 0 HA VAL A 89 5.115 -1.777 7.596 1.00 2.20 H new ATOM 0 HB VAL A 89 2.879 -1.486 8.464 1.00 1.10 H new ATOM 0 HG11 VAL A 89 2.380 -0.521 10.701 1.00 64.12 H new ATOM 0 HG12 VAL A 89 3.190 -2.102 10.806 1.00 64.12 H new ATOM 0 HG13 VAL A 89 4.111 -0.610 11.108 1.00 64.12 H new ATOM 0 HG21 VAL A 89 2.756 0.982 8.774 1.00 13.31 H new ATOM 0 HG22 VAL A 89 4.520 1.024 9.009 1.00 13.31 H new ATOM 0 HG23 VAL A 89 3.843 0.517 7.444 1.00 13.31 H new ATOM 1450 N THR A 90 6.823 -0.120 8.449 1.00 5.42 N ATOM 1451 CA THR A 90 7.860 0.809 8.889 1.00 51.34 C ATOM 1452 C THR A 90 7.589 2.205 8.280 1.00 34.01 C ATOM 1453 O THR A 90 7.463 2.361 7.052 1.00 55.12 O ATOM 1454 CB THR A 90 9.300 0.289 8.537 1.00 64.51 C ATOM 1455 OG1 THR A 90 10.292 1.241 8.957 1.00 62.52 O ATOM 1456 CG2 THR A 90 9.484 -0.016 7.038 1.00 61.35 C ATOM 0 H THR A 90 6.603 -0.045 7.456 1.00 5.42 H new ATOM 0 HA THR A 90 7.823 0.886 9.976 1.00 51.34 H new ATOM 0 HB THR A 90 9.427 -0.650 9.076 1.00 64.51 H new ATOM 0 HG1 THR A 90 11.185 0.904 8.733 1.00 62.52 H new ATOM 0 HG21 THR A 90 10.499 -0.371 6.861 1.00 61.35 H new ATOM 0 HG22 THR A 90 8.773 -0.784 6.733 1.00 61.35 H new ATOM 0 HG23 THR A 90 9.310 0.891 6.458 1.00 61.35 H new ATOM 1464 N TRP A 91 7.422 3.200 9.164 1.00 20.01 N ATOM 1465 CA TRP A 91 7.201 4.598 8.778 1.00 52.43 C ATOM 1466 C TRP A 91 8.550 5.322 8.634 1.00 2.12 C ATOM 1467 O TRP A 91 9.192 5.668 9.631 1.00 1.31 O ATOM 1468 CB TRP A 91 6.298 5.307 9.822 1.00 13.34 C ATOM 1469 CG TRP A 91 4.877 4.792 9.832 1.00 30.13 C ATOM 1470 CD1 TRP A 91 3.910 5.073 8.916 1.00 65.53 C ATOM 1471 CD2 TRP A 91 4.269 3.909 10.789 1.00 0.43 C ATOM 1472 NE1 TRP A 91 2.749 4.430 9.239 1.00 51.10 N ATOM 1473 CE2 TRP A 91 2.938 3.712 10.385 1.00 51.42 C ATOM 1474 CE3 TRP A 91 4.721 3.271 11.946 1.00 60.52 C ATOM 1475 CZ2 TRP A 91 2.051 2.904 11.093 1.00 64.34 C ATOM 1476 CZ3 TRP A 91 3.843 2.468 12.652 1.00 14.14 C ATOM 1477 CH2 TRP A 91 2.520 2.290 12.223 1.00 71.31 C ATOM 0 H TRP A 91 7.437 3.054 10.173 1.00 20.01 H new ATOM 0 HA TRP A 91 6.691 4.627 7.815 1.00 52.43 H new ATOM 0 HB2 TRP A 91 6.731 5.178 10.814 1.00 13.34 H new ATOM 0 HB3 TRP A 91 6.288 6.377 9.616 1.00 13.34 H new ATOM 0 HD1 TRP A 91 4.042 5.713 8.056 1.00 65.53 H new ATOM 0 HE1 TRP A 91 1.879 4.478 8.709 1.00 51.10 H new ATOM 0 HE3 TRP A 91 5.738 3.402 12.284 1.00 60.52 H new ATOM 0 HZ2 TRP A 91 1.032 2.767 10.763 1.00 64.34 H new ATOM 0 HZ3 TRP A 91 4.182 1.970 13.548 1.00 14.14 H new ATOM 0 HH2 TRP A 91 1.858 1.656 12.795 1.00 71.31 H new ATOM 1488 N ASP A 92 8.994 5.489 7.379 1.00 41.44 N ATOM 1489 CA ASP A 92 10.152 6.328 7.045 1.00 73.42 C ATOM 1490 C ASP A 92 9.730 7.811 7.140 1.00 34.01 C ATOM 1491 O ASP A 92 10.199 8.546 8.013 1.00 43.32 O ATOM 1492 CB ASP A 92 10.688 5.956 5.628 1.00 74.32 C ATOM 1493 CG ASP A 92 11.692 6.971 5.046 1.00 54.30 C ATOM 1494 OD1 ASP A 92 12.891 6.919 5.409 1.00 20.31 O ATOM 1495 OD2 ASP A 92 11.285 7.826 4.225 1.00 23.11 O ATOM 0 H ASP A 92 8.560 5.046 6.569 1.00 41.44 H new ATOM 0 HA ASP A 92 10.967 6.157 7.748 1.00 73.42 H new ATOM 0 HB2 ASP A 92 11.165 4.977 5.678 1.00 74.32 H new ATOM 0 HB3 ASP A 92 9.844 5.864 4.945 1.00 74.32 H new ATOM 1500 N GLY A 93 8.784 8.210 6.269 1.00 12.12 N ATOM 1501 CA GLY A 93 8.278 9.587 6.207 1.00 2.52 C ATOM 1502 C GLY A 93 8.018 10.001 4.769 1.00 22.34 C ATOM 1503 O GLY A 93 6.905 10.410 4.419 1.00 2.02 O ATOM 0 H GLY A 93 8.351 7.584 5.590 1.00 12.12 H new ATOM 0 HA2 GLY A 93 7.358 9.668 6.786 1.00 2.52 H new ATOM 0 HA3 GLY A 93 9.000 10.266 6.661 1.00 2.52 H new ATOM 1507 N ASP A 94 9.079 9.908 3.939 1.00 10.22 N ATOM 1508 CA ASP A 94 8.977 10.076 2.468 1.00 61.43 C ATOM 1509 C ASP A 94 8.293 8.851 1.847 1.00 63.23 C ATOM 1510 O ASP A 94 7.695 8.939 0.770 1.00 51.02 O ATOM 1511 CB ASP A 94 10.379 10.283 1.823 1.00 52.15 C ATOM 1512 CG ASP A 94 11.010 11.643 2.161 1.00 3.32 C ATOM 1513 OD1 ASP A 94 11.723 11.749 3.181 1.00 41.02 O ATOM 1514 OD2 ASP A 94 10.777 12.624 1.414 1.00 44.21 O ATOM 0 H ASP A 94 10.026 9.716 4.264 1.00 10.22 H new ATOM 0 HA ASP A 94 8.379 10.966 2.271 1.00 61.43 H new ATOM 0 HB2 ASP A 94 11.046 9.488 2.157 1.00 52.15 H new ATOM 0 HB3 ASP A 94 10.290 10.191 0.741 1.00 52.15 H new ATOM 1519 N THR A 95 8.414 7.710 2.541 1.00 4.41 N ATOM 1520 CA THR A 95 7.780 6.442 2.153 1.00 33.25 C ATOM 1521 C THR A 95 7.222 5.707 3.384 1.00 43.04 C ATOM 1522 O THR A 95 7.698 5.896 4.506 1.00 52.24 O ATOM 1523 CB THR A 95 8.788 5.502 1.406 1.00 22.31 C ATOM 1524 OG1 THR A 95 10.033 5.460 2.119 1.00 73.34 O ATOM 1525 CG2 THR A 95 9.042 5.943 -0.041 1.00 64.31 C ATOM 0 H THR A 95 8.962 7.641 3.399 1.00 4.41 H new ATOM 0 HA THR A 95 6.961 6.689 1.477 1.00 33.25 H new ATOM 0 HB THR A 95 8.337 4.510 1.371 1.00 22.31 H new ATOM 0 HG1 THR A 95 10.659 4.870 1.650 1.00 73.34 H new ATOM 0 HG21 THR A 95 9.747 5.258 -0.512 1.00 64.31 H new ATOM 0 HG22 THR A 95 8.103 5.934 -0.594 1.00 64.31 H new ATOM 0 HG23 THR A 95 9.457 6.951 -0.047 1.00 64.31 H new ATOM 1533 N VAL A 96 6.167 4.913 3.157 1.00 24.12 N ATOM 1534 CA VAL A 96 5.697 3.902 4.113 1.00 73.10 C ATOM 1535 C VAL A 96 5.831 2.512 3.457 1.00 41.03 C ATOM 1536 O VAL A 96 5.136 2.191 2.480 1.00 50.44 O ATOM 1537 CB VAL A 96 4.224 4.180 4.611 1.00 2.03 C ATOM 1538 CG1 VAL A 96 3.220 4.378 3.446 1.00 53.31 C ATOM 1539 CG2 VAL A 96 3.759 3.072 5.589 1.00 53.23 C ATOM 0 H VAL A 96 5.613 4.954 2.301 1.00 24.12 H new ATOM 0 HA VAL A 96 6.316 3.945 5.009 1.00 73.10 H new ATOM 0 HB VAL A 96 4.243 5.127 5.151 1.00 2.03 H new ATOM 0 HG11 VAL A 96 2.225 4.565 3.851 1.00 53.31 H new ATOM 0 HG12 VAL A 96 3.531 5.228 2.839 1.00 53.31 H new ATOM 0 HG13 VAL A 96 3.197 3.480 2.829 1.00 53.31 H new ATOM 0 HG21 VAL A 96 2.742 3.282 5.920 1.00 53.23 H new ATOM 0 HG22 VAL A 96 3.784 2.107 5.083 1.00 53.23 H new ATOM 0 HG23 VAL A 96 4.424 3.046 6.452 1.00 53.23 H new ATOM 1549 N THR A 97 6.786 1.717 3.961 1.00 21.11 N ATOM 1550 CA THR A 97 7.063 0.373 3.454 1.00 62.21 C ATOM 1551 C THR A 97 6.330 -0.671 4.319 1.00 34.25 C ATOM 1552 O THR A 97 6.614 -0.816 5.514 1.00 4.55 O ATOM 1553 CB THR A 97 8.600 0.089 3.422 1.00 2.04 C ATOM 1554 OG1 THR A 97 9.256 1.087 2.623 1.00 50.12 O ATOM 1555 CG2 THR A 97 8.935 -1.309 2.864 1.00 62.12 C ATOM 0 H THR A 97 7.389 1.994 4.736 1.00 21.11 H new ATOM 0 HA THR A 97 6.696 0.304 2.430 1.00 62.21 H new ATOM 0 HB THR A 97 8.955 0.124 4.452 1.00 2.04 H new ATOM 0 HG1 THR A 97 10.220 0.910 2.604 1.00 50.12 H new ATOM 0 HG21 THR A 97 10.016 -1.452 2.865 1.00 62.12 H new ATOM 0 HG22 THR A 97 8.468 -2.071 3.488 1.00 62.12 H new ATOM 0 HG23 THR A 97 8.559 -1.394 1.844 1.00 62.12 H new ATOM 1563 N VAL A 98 5.361 -1.361 3.698 1.00 54.20 N ATOM 1564 CA VAL A 98 4.538 -2.397 4.339 1.00 40.11 C ATOM 1565 C VAL A 98 4.710 -3.726 3.590 1.00 4.53 C ATOM 1566 O VAL A 98 4.544 -3.780 2.370 1.00 41.11 O ATOM 1567 CB VAL A 98 3.018 -1.996 4.343 1.00 24.54 C ATOM 1568 CG1 VAL A 98 2.119 -3.135 4.882 1.00 4.24 C ATOM 1569 CG2 VAL A 98 2.796 -0.691 5.140 1.00 25.11 C ATOM 0 H VAL A 98 5.123 -1.211 2.717 1.00 54.20 H new ATOM 0 HA VAL A 98 4.869 -2.502 5.372 1.00 40.11 H new ATOM 0 HB VAL A 98 2.727 -1.820 3.308 1.00 24.54 H new ATOM 0 HG11 VAL A 98 1.077 -2.814 4.867 1.00 4.24 H new ATOM 0 HG12 VAL A 98 2.236 -4.019 4.255 1.00 4.24 H new ATOM 0 HG13 VAL A 98 2.410 -3.375 5.905 1.00 4.24 H new ATOM 0 HG21 VAL A 98 1.737 -0.433 5.129 1.00 25.11 H new ATOM 0 HG22 VAL A 98 3.124 -0.833 6.170 1.00 25.11 H new ATOM 0 HG23 VAL A 98 3.370 0.116 4.685 1.00 25.11 H new ATOM 1579 N GLU A 99 5.038 -4.785 4.336 1.00 74.23 N ATOM 1580 CA GLU A 99 5.106 -6.158 3.824 1.00 31.14 C ATOM 1581 C GLU A 99 4.331 -7.063 4.797 1.00 32.05 C ATOM 1582 O GLU A 99 4.350 -6.823 6.008 1.00 70.34 O ATOM 1583 CB GLU A 99 6.589 -6.609 3.689 1.00 2.23 C ATOM 1584 CG GLU A 99 6.769 -7.962 2.968 1.00 43.21 C ATOM 1585 CD GLU A 99 8.236 -8.399 2.784 1.00 62.24 C ATOM 1586 OE1 GLU A 99 8.931 -7.850 1.898 1.00 43.45 O ATOM 1587 OE2 GLU A 99 8.698 -9.313 3.506 1.00 61.10 O ATOM 0 H GLU A 99 5.267 -4.712 5.327 1.00 74.23 H new ATOM 0 HA GLU A 99 4.659 -6.222 2.832 1.00 31.14 H new ATOM 0 HB2 GLU A 99 7.143 -5.843 3.147 1.00 2.23 H new ATOM 0 HB3 GLU A 99 7.030 -6.677 4.684 1.00 2.23 H new ATOM 0 HG2 GLU A 99 6.242 -8.732 3.531 1.00 43.21 H new ATOM 0 HG3 GLU A 99 6.295 -7.903 1.988 1.00 43.21 H new ATOM 1594 N GLY A 100 3.631 -8.078 4.264 1.00 64.21 N ATOM 1595 CA GLY A 100 2.857 -9.012 5.096 1.00 4.11 C ATOM 1596 C GLY A 100 3.735 -9.807 6.074 1.00 75.14 C ATOM 1597 O GLY A 100 4.934 -10.003 5.817 1.00 74.10 O ATOM 0 H GLY A 100 3.586 -8.272 3.264 1.00 64.21 H new ATOM 0 HA2 GLY A 100 2.108 -8.455 5.658 1.00 4.11 H new ATOM 0 HA3 GLY A 100 2.320 -9.707 4.450 1.00 4.11 H new ATOM 1601 N GLN A 101 3.134 -10.267 7.182 1.00 14.45 N ATOM 1602 CA GLN A 101 3.838 -11.052 8.213 1.00 23.32 C ATOM 1603 C GLN A 101 4.096 -12.485 7.722 1.00 0.44 C ATOM 1604 O GLN A 101 3.227 -13.111 7.102 1.00 23.30 O ATOM 1605 CB GLN A 101 3.007 -11.081 9.531 1.00 62.44 C ATOM 1606 CG GLN A 101 3.086 -9.790 10.374 1.00 22.12 C ATOM 1607 CD GLN A 101 4.348 -9.700 11.233 1.00 41.55 C ATOM 1608 OE1 GLN A 101 5.377 -9.172 10.812 1.00 10.24 O ATOM 1609 NE2 GLN A 101 4.271 -10.225 12.453 1.00 33.44 N ATOM 0 H GLN A 101 2.148 -10.107 7.390 1.00 14.45 H new ATOM 0 HA GLN A 101 4.798 -10.575 8.410 1.00 23.32 H new ATOM 0 HB2 GLN A 101 1.963 -11.272 9.282 1.00 62.44 H new ATOM 0 HB3 GLN A 101 3.348 -11.918 10.141 1.00 62.44 H new ATOM 0 HG2 GLN A 101 3.047 -8.928 9.708 1.00 22.12 H new ATOM 0 HG3 GLN A 101 2.211 -9.734 11.021 1.00 22.12 H new ATOM 0 HE21 GLN A 101 3.402 -10.655 12.769 1.00 33.44 H new ATOM 0 HE22 GLN A 101 5.081 -10.198 13.072 1.00 33.44 H new ATOM 1618 N LEU A 102 5.323 -12.960 7.979 1.00 4.11 N ATOM 1619 CA LEU A 102 5.708 -14.365 7.791 1.00 1.53 C ATOM 1620 C LEU A 102 5.067 -15.199 8.914 1.00 52.54 C ATOM 1621 O LEU A 102 4.949 -14.727 10.054 1.00 11.42 O ATOM 1622 CB LEU A 102 7.264 -14.530 7.796 1.00 51.02 C ATOM 1623 CG LEU A 102 8.028 -14.100 6.497 1.00 73.31 C ATOM 1624 CD1 LEU A 102 7.581 -14.944 5.285 1.00 50.32 C ATOM 1625 CD2 LEU A 102 7.897 -12.585 6.216 1.00 31.12 C ATOM 0 H LEU A 102 6.082 -12.374 8.326 1.00 4.11 H new ATOM 0 HA LEU A 102 5.352 -14.713 6.821 1.00 1.53 H new ATOM 0 HB2 LEU A 102 7.663 -13.954 8.631 1.00 51.02 H new ATOM 0 HB3 LEU A 102 7.493 -15.577 7.993 1.00 51.02 H new ATOM 0 HG LEU A 102 9.087 -14.295 6.667 1.00 73.31 H new ATOM 0 HD11 LEU A 102 8.127 -14.624 4.398 1.00 50.32 H new ATOM 0 HD12 LEU A 102 7.788 -15.997 5.479 1.00 50.32 H new ATOM 0 HD13 LEU A 102 6.512 -14.808 5.122 1.00 50.32 H new ATOM 0 HD21 LEU A 102 8.443 -12.335 5.306 1.00 31.12 H new ATOM 0 HD22 LEU A 102 6.845 -12.328 6.090 1.00 31.12 H new ATOM 0 HD23 LEU A 102 8.310 -12.023 7.053 1.00 31.12 H new ATOM 1637 N GLU A 103 4.635 -16.422 8.578 1.00 3.51 N ATOM 1638 CA GLU A 103 3.977 -17.324 9.536 1.00 62.13 C ATOM 1639 C GLU A 103 4.976 -17.790 10.614 1.00 73.41 C ATOM 1640 O GLU A 103 5.769 -18.714 10.394 1.00 42.30 O ATOM 1641 CB GLU A 103 3.338 -18.517 8.790 1.00 62.25 C ATOM 1642 CG GLU A 103 2.570 -19.506 9.692 1.00 40.40 C ATOM 1643 CD GLU A 103 1.655 -20.430 8.885 1.00 44.53 C ATOM 1644 OE1 GLU A 103 0.595 -19.957 8.416 1.00 34.21 O ATOM 1645 OE2 GLU A 103 2.004 -21.608 8.666 1.00 41.22 O ATOM 0 H GLU A 103 4.730 -16.813 7.641 1.00 3.51 H new ATOM 0 HA GLU A 103 3.179 -16.784 10.045 1.00 62.13 H new ATOM 0 HB2 GLU A 103 2.655 -18.131 8.034 1.00 62.25 H new ATOM 0 HB3 GLU A 103 4.122 -19.061 8.263 1.00 62.25 H new ATOM 0 HG2 GLU A 103 3.281 -20.106 10.259 1.00 40.40 H new ATOM 0 HG3 GLU A 103 1.975 -18.949 10.416 1.00 40.40 H new ATOM 1652 N GLY A 104 4.953 -17.083 11.750 1.00 3.41 N ATOM 1653 CA GLY A 104 5.831 -17.357 12.878 1.00 5.32 C ATOM 1654 C GLY A 104 5.140 -17.003 14.185 1.00 14.42 C ATOM 1655 O GLY A 104 5.223 -15.860 14.649 1.00 43.12 O ATOM 0 H GLY A 104 4.318 -16.301 11.907 1.00 3.41 H new ATOM 0 HA2 GLY A 104 6.112 -18.410 12.881 1.00 5.32 H new ATOM 0 HA3 GLY A 104 6.752 -16.782 12.779 1.00 5.32 H new ATOM 1659 N VAL A 105 4.421 -17.983 14.754 1.00 73.31 N ATOM 1660 CA VAL A 105 3.645 -17.811 15.989 1.00 62.14 C ATOM 1661 C VAL A 105 3.666 -19.123 16.807 1.00 21.41 C ATOM 1662 O VAL A 105 3.663 -20.221 16.240 1.00 10.44 O ATOM 1663 CB VAL A 105 2.169 -17.341 15.674 1.00 14.23 C ATOM 1664 CG1 VAL A 105 1.414 -18.347 14.776 1.00 45.41 C ATOM 1665 CG2 VAL A 105 1.378 -17.030 16.965 1.00 75.15 C ATOM 0 H VAL A 105 4.362 -18.924 14.366 1.00 73.31 H new ATOM 0 HA VAL A 105 4.105 -17.026 16.589 1.00 62.14 H new ATOM 0 HB VAL A 105 2.252 -16.412 15.110 1.00 14.23 H new ATOM 0 HG11 VAL A 105 0.405 -17.980 14.587 1.00 45.41 H new ATOM 0 HG12 VAL A 105 1.943 -18.458 13.829 1.00 45.41 H new ATOM 0 HG13 VAL A 105 1.361 -19.314 15.277 1.00 45.41 H new ATOM 0 HG21 VAL A 105 0.369 -16.710 16.705 1.00 75.15 H new ATOM 0 HG22 VAL A 105 1.327 -17.925 17.585 1.00 75.15 H new ATOM 0 HG23 VAL A 105 1.880 -16.235 17.516 1.00 75.15 H new ATOM 1675 N ASP A 106 3.739 -18.986 18.143 1.00 44.23 N ATOM 1676 CA ASP A 106 3.743 -20.114 19.091 1.00 3.02 C ATOM 1677 C ASP A 106 2.861 -19.741 20.303 1.00 54.24 C ATOM 1678 O ASP A 106 1.711 -20.203 20.376 1.00 1.13 O ATOM 1679 CB ASP A 106 5.205 -20.454 19.516 1.00 65.01 C ATOM 1680 CG ASP A 106 5.299 -21.599 20.549 1.00 1.23 C ATOM 1681 OD1 ASP A 106 5.246 -22.779 20.154 1.00 1.31 O ATOM 1682 OD2 ASP A 106 5.431 -21.324 21.763 1.00 20.02 O ATOM 1683 OXT ASP A 106 3.300 -18.934 21.145 1.00 37.81 O ATOM 0 H ASP A 106 3.798 -18.076 18.600 1.00 44.23 H new ATOM 0 HA ASP A 106 3.331 -21.008 18.622 1.00 3.02 H new ATOM 0 HB2 ASP A 106 5.778 -20.728 18.630 1.00 65.01 H new ATOM 0 HB3 ASP A 106 5.670 -19.561 19.933 1.00 65.01 H new TER 1688 ASP A 106