USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 938 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 81 SER OG : rot 180:sc= -0.0438 USER MOD Set 1.2: A 89 LYS NZ :NH3+ -162:sc= 0.736 (180deg=0.492) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 140:sc= 0.189 (180deg=-0.187) USER MOD Set 2.2: A 67 GLN : amide:sc= -2.17! K(o=-2!,f=-0.33) USER MOD Set 3.1: A 44 MET CE :methyl -124:sc= -1.67 (180deg=-2.44!) USER MOD Set 3.2: A 57 TYR OH : rot -30:sc= -0.334 USER MOD Set 4.1: A 33 SER OG : rot -151:sc= 0.185 USER MOD Set 4.2: A 37 GLN : amide:sc= -0.71 X(o=-0.52,f=-0.82) USER MOD Set 5.1: A 11 MET CE :methyl -151:sc= -0.179 (180deg=-0.682) USER MOD Set 5.2: A 35 GLN : amide:sc= -1.12 K(o=-1.3,f=-4.8!) USER MOD Set 6.1: A 7 HIS : no HE2:sc= 0.376 K(o=0.82,f=-0.39) USER MOD Set 6.2: A 59 SER OG : rot -149:sc= 0.439 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 5 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 CYS SG : rot -67:sc= -2.54! USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 1.1 (180deg=0.994) USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= 0.931 (180deg=0.217) USER MOD Single : A 31 ASN : amide:sc= -0.0531 K(o=-0.053,f=-7.7!) USER MOD Single : A 32 THR OG1 : rot -39:sc= 0.443 USER MOD Single : A 39 MET CE :methyl -154:sc= -1.9 (180deg=-4.23!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0.542 (180deg=0.542) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.476 K(o=0.48,f=-3.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -2.61! C(o=-2.6!,f=-2!) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 93 SER OG : rot 180:sc= -0.916 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -172:sc=-0.00392 (180deg=-0.0746) USER MOD Single : A 106 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.2!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 114 GLN : amide:sc= -3! C(o=-3!,f=-1.5!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot -150:sc= -1.23! USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.324 -5.900 -22.171 1.00 23.41 N ATOM 2 CA MET A 1 -2.227 -7.005 -22.599 1.00 54.52 C ATOM 3 C MET A 1 -3.429 -7.149 -21.648 1.00 63.51 C ATOM 4 O MET A 1 -4.572 -7.267 -22.090 1.00 11.13 O ATOM 5 CB MET A 1 -1.447 -8.329 -22.677 1.00 73.34 C ATOM 6 CG MET A 1 -2.251 -9.491 -23.251 1.00 32.40 C ATOM 7 SD MET A 1 -1.269 -10.992 -23.434 1.00 44.31 S ATOM 8 CE MET A 1 -2.472 -12.096 -24.171 1.00 62.12 C ATOM 0 H1 MET A 1 -0.524 -5.829 -22.832 1.00 23.41 H new ATOM 0 H2 MET A 1 -1.851 -5.003 -22.167 1.00 23.41 H new ATOM 0 H3 MET A 1 -0.966 -6.095 -21.214 1.00 23.41 H new ATOM 0 HA MET A 1 -2.612 -6.759 -23.589 1.00 54.52 H new ATOM 0 HB2 MET A 1 -0.558 -8.179 -23.289 1.00 73.34 H new ATOM 0 HB3 MET A 1 -1.105 -8.596 -21.677 1.00 73.34 H new ATOM 0 HG2 MET A 1 -3.102 -9.695 -22.601 1.00 32.40 H new ATOM 0 HG3 MET A 1 -2.654 -9.204 -24.222 1.00 32.40 H new ATOM 0 HE1 MET A 1 -2.014 -13.069 -24.346 1.00 62.12 H new ATOM 0 HE2 MET A 1 -3.321 -12.210 -23.498 1.00 62.12 H new ATOM 0 HE3 MET A 1 -2.814 -11.681 -25.119 1.00 62.12 H new ATOM 20 N GLY A 2 -3.165 -7.148 -20.341 1.00 41.51 N ATOM 21 CA GLY A 2 -4.238 -7.230 -19.353 1.00 41.23 C ATOM 22 C GLY A 2 -4.772 -8.647 -19.150 1.00 55.14 C ATOM 23 O GLY A 2 -4.279 -9.603 -19.753 1.00 44.34 O ATOM 0 H GLY A 2 -2.226 -7.092 -19.946 1.00 41.51 H new ATOM 0 HA2 GLY A 2 -3.873 -6.848 -18.400 1.00 41.23 H new ATOM 0 HA3 GLY A 2 -5.058 -6.582 -19.664 1.00 41.23 H new ATOM 27 N HIS A 3 -5.777 -8.786 -18.287 1.00 10.52 N ATOM 28 CA HIS A 3 -6.408 -10.086 -18.022 1.00 14.20 C ATOM 29 C HIS A 3 -7.937 -9.963 -17.993 1.00 44.40 C ATOM 30 O HIS A 3 -8.480 -8.869 -17.847 1.00 75.13 O ATOM 31 CB HIS A 3 -5.913 -10.669 -16.691 1.00 40.33 C ATOM 32 CG HIS A 3 -4.449 -10.984 -16.673 1.00 75.51 C ATOM 33 ND1 HIS A 3 -3.540 -10.303 -15.891 1.00 43.45 N ATOM 34 CD2 HIS A 3 -3.737 -11.925 -17.338 1.00 33.02 C ATOM 35 CE1 HIS A 3 -2.337 -10.810 -16.076 1.00 42.40 C ATOM 36 NE2 HIS A 3 -2.428 -11.793 -16.945 1.00 10.11 N ATOM 0 H HIS A 3 -6.176 -8.013 -17.755 1.00 10.52 H new ATOM 0 HA HIS A 3 -6.127 -10.758 -18.833 1.00 14.20 H new ATOM 0 HB2 HIS A 3 -6.132 -9.961 -15.892 1.00 40.33 H new ATOM 0 HB3 HIS A 3 -6.473 -11.579 -16.473 1.00 40.33 H new ATOM 0 HD2 HIS A 3 -4.126 -12.644 -18.044 1.00 33.02 H new ATOM 0 HE1 HIS A 3 -1.430 -10.475 -15.595 1.00 42.40 H new ATOM 0 HE2 HIS A 3 -1.651 -12.366 -17.274 1.00 10.11 H new ATOM 45 N HIS A 4 -8.625 -11.094 -18.150 1.00 33.03 N ATOM 46 CA HIS A 4 -10.093 -11.130 -18.099 1.00 40.11 C ATOM 47 C HIS A 4 -10.596 -12.424 -17.448 1.00 20.23 C ATOM 48 O HIS A 4 -10.566 -13.490 -18.062 1.00 32.53 O ATOM 49 CB HIS A 4 -10.688 -10.991 -19.508 1.00 55.51 C ATOM 50 CG HIS A 4 -10.383 -9.676 -20.157 1.00 10.00 C ATOM 51 ND1 HIS A 4 -10.980 -8.496 -19.774 1.00 54.23 N ATOM 52 CD2 HIS A 4 -9.524 -9.350 -21.153 1.00 21.24 C ATOM 53 CE1 HIS A 4 -10.502 -7.506 -20.496 1.00 25.55 C ATOM 54 NE2 HIS A 4 -9.618 -7.995 -21.339 1.00 2.43 N ATOM 0 H HIS A 4 -8.191 -12.002 -18.314 1.00 33.03 H new ATOM 0 HA HIS A 4 -10.421 -10.288 -17.489 1.00 40.11 H new ATOM 0 HB2 HIS A 4 -10.305 -11.795 -20.137 1.00 55.51 H new ATOM 0 HB3 HIS A 4 -11.769 -11.118 -19.452 1.00 55.51 H new ATOM 0 HD2 HIS A 4 -8.886 -10.030 -21.698 1.00 21.24 H new ATOM 0 HE1 HIS A 4 -10.787 -6.468 -20.411 1.00 25.55 H new ATOM 0 HE2 HIS A 4 -9.088 -7.453 -22.021 1.00 2.43 H new ATOM 63 N HIS A 5 -11.037 -12.324 -16.197 1.00 12.45 N ATOM 64 CA HIS A 5 -11.621 -13.463 -15.474 1.00 41.41 C ATOM 65 C HIS A 5 -12.762 -13.010 -14.549 1.00 23.12 C ATOM 66 O HIS A 5 -12.613 -12.068 -13.766 1.00 54.41 O ATOM 67 CB HIS A 5 -10.546 -14.223 -14.677 1.00 20.55 C ATOM 68 CG HIS A 5 -9.669 -15.087 -15.537 1.00 13.44 C ATOM 69 ND1 HIS A 5 -8.289 -15.035 -15.520 1.00 14.30 N ATOM 70 CD2 HIS A 5 -9.991 -16.039 -16.446 1.00 60.11 C ATOM 71 CE1 HIS A 5 -7.807 -15.911 -16.379 1.00 34.30 C ATOM 72 NE2 HIS A 5 -8.816 -16.532 -16.952 1.00 72.11 N ATOM 0 H HIS A 5 -11.003 -11.461 -15.655 1.00 12.45 H new ATOM 0 HA HIS A 5 -12.039 -14.143 -16.216 1.00 41.41 H new ATOM 0 HB2 HIS A 5 -9.924 -13.505 -14.142 1.00 20.55 H new ATOM 0 HB3 HIS A 5 -11.033 -14.845 -13.926 1.00 20.55 H new ATOM 0 HD2 HIS A 5 -10.988 -16.351 -16.721 1.00 60.11 H new ATOM 0 HE1 HIS A 5 -6.761 -16.089 -16.579 1.00 34.30 H new ATOM 0 HE2 HIS A 5 -8.737 -17.263 -17.659 1.00 72.11 H new ATOM 81 N HIS A 6 -13.897 -13.697 -14.649 1.00 25.21 N ATOM 82 CA HIS A 6 -15.114 -13.335 -13.918 1.00 2.43 C ATOM 83 C HIS A 6 -15.215 -14.074 -12.573 1.00 73.14 C ATOM 84 O HIS A 6 -15.298 -15.302 -12.530 1.00 53.22 O ATOM 85 CB HIS A 6 -16.338 -13.647 -14.794 1.00 11.40 C ATOM 86 CG HIS A 6 -17.658 -13.348 -14.146 1.00 0.12 C ATOM 87 ND1 HIS A 6 -18.326 -12.157 -14.315 1.00 60.42 N ATOM 88 CD2 HIS A 6 -18.443 -14.101 -13.339 1.00 50.10 C ATOM 89 CE1 HIS A 6 -19.459 -12.187 -13.644 1.00 32.12 C ATOM 90 NE2 HIS A 6 -19.555 -13.354 -13.043 1.00 24.22 N ATOM 0 H HIS A 6 -14.002 -14.522 -15.239 1.00 25.21 H new ATOM 0 HA HIS A 6 -15.078 -12.269 -13.695 1.00 2.43 H new ATOM 0 HB2 HIS A 6 -16.263 -13.074 -15.718 1.00 11.40 H new ATOM 0 HB3 HIS A 6 -16.313 -14.701 -15.069 1.00 11.40 H new ATOM 0 HD2 HIS A 6 -18.233 -15.102 -12.993 1.00 50.10 H new ATOM 0 HE1 HIS A 6 -20.186 -11.390 -13.595 1.00 32.12 H new ATOM 0 HE2 HIS A 6 -20.331 -13.654 -12.453 1.00 24.22 H new ATOM 99 N HIS A 7 -15.218 -13.319 -11.478 1.00 54.35 N ATOM 100 CA HIS A 7 -15.379 -13.894 -10.138 1.00 41.12 C ATOM 101 C HIS A 7 -16.104 -12.919 -9.194 1.00 15.33 C ATOM 102 O HIS A 7 -15.638 -11.804 -8.950 1.00 33.03 O ATOM 103 CB HIS A 7 -14.018 -14.305 -9.554 1.00 44.45 C ATOM 104 CG HIS A 7 -12.988 -13.216 -9.563 1.00 32.51 C ATOM 105 ND1 HIS A 7 -12.807 -12.340 -8.516 1.00 61.43 N ATOM 106 CD2 HIS A 7 -12.065 -12.877 -10.493 1.00 34.22 C ATOM 107 CE1 HIS A 7 -11.823 -11.512 -8.801 1.00 63.13 C ATOM 108 NE2 HIS A 7 -11.353 -11.815 -9.993 1.00 44.51 N ATOM 0 H HIS A 7 -15.111 -12.305 -11.488 1.00 54.35 H new ATOM 0 HA HIS A 7 -15.996 -14.787 -10.232 1.00 41.12 H new ATOM 0 HB2 HIS A 7 -14.163 -14.643 -8.528 1.00 44.45 H new ATOM 0 HB3 HIS A 7 -13.636 -15.155 -10.119 1.00 44.45 H new ATOM 0 HD1 HIS A 7 -13.351 -12.333 -7.653 1.00 61.43 H new ATOM 0 HD2 HIS A 7 -11.916 -13.353 -11.451 1.00 34.22 H new ATOM 0 HE1 HIS A 7 -11.462 -10.718 -8.164 1.00 63.13 H new ATOM 117 N HIS A 8 -17.245 -13.354 -8.666 1.00 64.52 N ATOM 118 CA HIS A 8 -18.078 -12.518 -7.792 1.00 3.25 C ATOM 119 C HIS A 8 -18.356 -13.219 -6.451 1.00 21.22 C ATOM 120 O HIS A 8 -18.999 -14.267 -6.410 1.00 35.42 O ATOM 121 CB HIS A 8 -19.397 -12.186 -8.508 1.00 62.44 C ATOM 122 CG HIS A 8 -20.359 -11.378 -7.688 1.00 54.10 C ATOM 123 ND1 HIS A 8 -20.181 -10.040 -7.418 1.00 15.42 N ATOM 124 CD2 HIS A 8 -21.525 -11.726 -7.092 1.00 50.22 C ATOM 125 CE1 HIS A 8 -21.190 -9.601 -6.693 1.00 63.20 C ATOM 126 NE2 HIS A 8 -22.020 -10.601 -6.480 1.00 24.34 N ATOM 0 H HIS A 8 -17.620 -14.289 -8.827 1.00 64.52 H new ATOM 0 HA HIS A 8 -17.540 -11.595 -7.576 1.00 3.25 H new ATOM 0 HB2 HIS A 8 -19.172 -11.641 -9.424 1.00 62.44 H new ATOM 0 HB3 HIS A 8 -19.881 -13.117 -8.802 1.00 62.44 H new ATOM 0 HD2 HIS A 8 -21.980 -12.705 -7.097 1.00 50.22 H new ATOM 0 HE1 HIS A 8 -21.315 -8.590 -6.334 1.00 63.20 H new ATOM 0 HE2 HIS A 8 -22.888 -10.548 -5.948 1.00 24.34 H new ATOM 135 N SER A 9 -17.882 -12.628 -5.356 1.00 11.44 N ATOM 136 CA SER A 9 -18.037 -13.227 -4.014 1.00 33.44 C ATOM 137 C SER A 9 -18.587 -12.216 -2.999 1.00 71.43 C ATOM 138 O SER A 9 -18.638 -11.016 -3.264 1.00 43.24 O ATOM 139 CB SER A 9 -16.691 -13.771 -3.504 1.00 55.44 C ATOM 140 OG SER A 9 -16.222 -14.847 -4.302 1.00 20.50 O ATOM 0 H SER A 9 -17.387 -11.736 -5.362 1.00 11.44 H new ATOM 0 HA SER A 9 -18.752 -14.044 -4.111 1.00 33.44 H new ATOM 0 HB2 SER A 9 -15.952 -12.970 -3.503 1.00 55.44 H new ATOM 0 HB3 SER A 9 -16.801 -14.105 -2.472 1.00 55.44 H new ATOM 0 HG SER A 9 -15.365 -15.166 -3.950 1.00 20.50 H new ATOM 146 N HIS A 10 -18.995 -12.713 -1.833 1.00 25.01 N ATOM 147 CA HIS A 10 -19.469 -11.851 -0.740 1.00 21.12 C ATOM 148 C HIS A 10 -18.320 -11.497 0.223 1.00 41.52 C ATOM 149 O HIS A 10 -18.464 -10.640 1.095 1.00 52.50 O ATOM 150 CB HIS A 10 -20.605 -12.542 0.024 1.00 14.51 C ATOM 151 CG HIS A 10 -21.812 -12.830 -0.821 1.00 4.44 C ATOM 152 ND1 HIS A 10 -22.862 -11.950 -0.955 1.00 65.30 N ATOM 153 CD2 HIS A 10 -22.132 -13.907 -1.581 1.00 52.41 C ATOM 154 CE1 HIS A 10 -23.769 -12.468 -1.755 1.00 60.12 C ATOM 155 NE2 HIS A 10 -23.354 -13.652 -2.151 1.00 21.32 N ATOM 0 H HIS A 10 -19.009 -13.710 -1.616 1.00 25.01 H new ATOM 0 HA HIS A 10 -19.845 -10.925 -1.176 1.00 21.12 H new ATOM 0 HB2 HIS A 10 -20.233 -13.478 0.442 1.00 14.51 H new ATOM 0 HB3 HIS A 10 -20.902 -11.913 0.863 1.00 14.51 H new ATOM 0 HD2 HIS A 10 -21.537 -14.798 -1.713 1.00 52.41 H new ATOM 0 HE1 HIS A 10 -24.699 -11.999 -2.039 1.00 60.12 H new ATOM 0 HE2 HIS A 10 -23.858 -14.278 -2.779 1.00 21.32 H new ATOM 164 N MET A 11 -17.185 -12.171 0.055 1.00 2.31 N ATOM 165 CA MET A 11 -15.998 -11.923 0.883 1.00 53.21 C ATOM 166 C MET A 11 -15.277 -10.631 0.466 1.00 71.50 C ATOM 167 O MET A 11 -14.791 -10.518 -0.660 1.00 41.45 O ATOM 168 CB MET A 11 -15.028 -13.107 0.785 1.00 13.00 C ATOM 169 CG MET A 11 -15.614 -14.424 1.271 1.00 4.42 C ATOM 170 SD MET A 11 -16.131 -14.362 3.000 1.00 62.32 S ATOM 171 CE MET A 11 -14.590 -13.910 3.807 1.00 34.53 C ATOM 0 H MET A 11 -17.058 -12.898 -0.650 1.00 2.31 H new ATOM 0 HA MET A 11 -16.334 -11.808 1.914 1.00 53.21 H new ATOM 0 HB2 MET A 11 -14.713 -13.221 -0.252 1.00 13.00 H new ATOM 0 HB3 MET A 11 -14.134 -12.881 1.367 1.00 13.00 H new ATOM 0 HG2 MET A 11 -16.470 -14.687 0.650 1.00 4.42 H new ATOM 0 HG3 MET A 11 -14.874 -15.214 1.146 1.00 4.42 H new ATOM 0 HE1 MET A 11 -14.577 -14.314 4.819 1.00 34.53 H new ATOM 0 HE2 MET A 11 -13.751 -14.318 3.243 1.00 34.53 H new ATOM 0 HE3 MET A 11 -14.506 -12.824 3.848 1.00 34.53 H new ATOM 181 N THR A 12 -15.203 -9.671 1.383 1.00 54.15 N ATOM 182 CA THR A 12 -14.528 -8.391 1.123 1.00 24.34 C ATOM 183 C THR A 12 -13.019 -8.493 1.386 1.00 52.30 C ATOM 184 O THR A 12 -12.208 -8.348 0.470 1.00 24.23 O ATOM 185 CB THR A 12 -15.117 -7.255 1.996 1.00 1.50 C ATOM 186 OG1 THR A 12 -14.991 -7.589 3.390 1.00 44.25 O ATOM 187 CG2 THR A 12 -16.585 -7.009 1.657 1.00 4.34 C ATOM 0 H THR A 12 -15.602 -9.750 2.318 1.00 54.15 H new ATOM 0 HA THR A 12 -14.694 -8.156 0.072 1.00 24.34 H new ATOM 0 HB THR A 12 -14.557 -6.343 1.788 1.00 1.50 H new ATOM 0 HG1 THR A 12 -15.364 -6.865 3.935 1.00 44.25 H new ATOM 0 HG21 THR A 12 -16.974 -6.207 2.284 1.00 4.34 H new ATOM 0 HG22 THR A 12 -16.674 -6.725 0.608 1.00 4.34 H new ATOM 0 HG23 THR A 12 -17.157 -7.919 1.836 1.00 4.34 H new ATOM 195 N GLY A 13 -12.650 -8.742 2.642 1.00 41.34 N ATOM 196 CA GLY A 13 -11.244 -8.896 3.002 1.00 3.25 C ATOM 197 C GLY A 13 -10.616 -7.613 3.537 1.00 74.15 C ATOM 198 O GLY A 13 -10.379 -6.666 2.788 1.00 10.44 O ATOM 0 H GLY A 13 -13.301 -8.841 3.421 1.00 41.34 H new ATOM 0 HA2 GLY A 13 -11.152 -9.679 3.755 1.00 3.25 H new ATOM 0 HA3 GLY A 13 -10.686 -9.228 2.127 1.00 3.25 H new ATOM 202 N ASN A 14 -10.345 -7.580 4.838 1.00 23.24 N ATOM 203 CA ASN A 14 -9.734 -6.405 5.469 1.00 74.05 C ATOM 204 C ASN A 14 -8.221 -6.345 5.186 1.00 10.33 C ATOM 205 O ASN A 14 -7.431 -7.103 5.758 1.00 33.21 O ATOM 206 CB ASN A 14 -10.001 -6.415 6.982 1.00 31.31 C ATOM 207 CG ASN A 14 -9.417 -5.207 7.698 1.00 12.34 C ATOM 208 OD1 ASN A 14 -9.239 -4.143 7.115 1.00 52.03 O ATOM 209 ND2 ASN A 14 -9.133 -5.354 8.975 1.00 24.45 N ATOM 0 H ASN A 14 -10.537 -8.350 5.479 1.00 23.24 H new ATOM 0 HA ASN A 14 -10.189 -5.513 5.038 1.00 74.05 H new ATOM 0 HB2 ASN A 14 -11.077 -6.448 7.155 1.00 31.31 H new ATOM 0 HB3 ASN A 14 -9.581 -7.324 7.413 1.00 31.31 H new ATOM 0 HD21 ASN A 14 -8.754 -4.570 9.507 1.00 24.45 H new ATOM 0 HD22 ASN A 14 -9.292 -6.252 9.433 1.00 24.45 H new ATOM 216 N VAL A 15 -7.832 -5.459 4.273 1.00 41.13 N ATOM 217 CA VAL A 15 -6.417 -5.233 3.949 1.00 21.13 C ATOM 218 C VAL A 15 -5.926 -3.914 4.567 1.00 2.43 C ATOM 219 O VAL A 15 -6.518 -2.859 4.344 1.00 75.41 O ATOM 220 CB VAL A 15 -6.181 -5.208 2.416 1.00 45.13 C ATOM 221 CG1 VAL A 15 -4.697 -5.008 2.093 1.00 70.02 C ATOM 222 CG2 VAL A 15 -6.709 -6.489 1.772 1.00 11.01 C ATOM 0 H VAL A 15 -8.479 -4.879 3.738 1.00 41.13 H new ATOM 0 HA VAL A 15 -5.850 -6.063 4.370 1.00 21.13 H new ATOM 0 HB VAL A 15 -6.731 -4.363 2.001 1.00 45.13 H new ATOM 0 HG11 VAL A 15 -4.559 -4.994 1.012 1.00 70.02 H new ATOM 0 HG12 VAL A 15 -4.357 -4.062 2.514 1.00 70.02 H new ATOM 0 HG13 VAL A 15 -4.118 -5.825 2.523 1.00 70.02 H new ATOM 0 HG21 VAL A 15 -6.535 -6.454 0.697 1.00 11.01 H new ATOM 0 HG22 VAL A 15 -6.191 -7.349 2.196 1.00 11.01 H new ATOM 0 HG23 VAL A 15 -7.778 -6.579 1.964 1.00 11.01 H new ATOM 232 N CYS A 16 -4.846 -3.978 5.342 1.00 74.32 N ATOM 233 CA CYS A 16 -4.319 -2.791 6.034 1.00 35.30 C ATOM 234 C CYS A 16 -2.792 -2.696 5.911 1.00 71.05 C ATOM 235 O CYS A 16 -2.119 -3.684 5.634 1.00 70.35 O ATOM 236 CB CYS A 16 -4.714 -2.824 7.516 1.00 64.10 C ATOM 237 SG CYS A 16 -4.137 -1.399 8.468 1.00 22.11 S ATOM 0 H CYS A 16 -4.316 -4.833 5.510 1.00 74.32 H new ATOM 0 HA CYS A 16 -4.754 -1.912 5.557 1.00 35.30 H new ATOM 0 HB2 CYS A 16 -5.800 -2.881 7.590 1.00 64.10 H new ATOM 0 HB3 CYS A 16 -4.316 -3.733 7.967 1.00 64.10 H new ATOM 0 HG CYS A 16 -2.840 -1.425 8.544 1.00 22.11 H new ATOM 243 N ILE A 17 -2.251 -1.499 6.120 1.00 43.23 N ATOM 244 CA ILE A 17 -0.800 -1.287 6.058 1.00 52.44 C ATOM 245 C ILE A 17 -0.160 -1.573 7.424 1.00 63.45 C ATOM 246 O ILE A 17 -0.636 -1.081 8.446 1.00 61.12 O ATOM 247 CB ILE A 17 -0.434 0.166 5.641 1.00 43.40 C ATOM 248 CG1 ILE A 17 -1.155 0.586 4.344 1.00 22.03 C ATOM 249 CG2 ILE A 17 1.080 0.305 5.475 1.00 24.32 C ATOM 250 CD1 ILE A 17 -2.607 0.978 4.538 1.00 25.42 C ATOM 0 H ILE A 17 -2.790 -0.660 6.334 1.00 43.23 H new ATOM 0 HA ILE A 17 -0.417 -1.974 5.303 1.00 52.44 H new ATOM 0 HB ILE A 17 -0.769 0.832 6.436 1.00 43.40 H new ATOM 0 HG12 ILE A 17 -0.620 1.426 3.900 1.00 22.03 H new ATOM 0 HG13 ILE A 17 -1.105 -0.237 3.631 1.00 22.03 H new ATOM 0 HG21 ILE A 17 1.322 1.327 5.183 1.00 24.32 H new ATOM 0 HG22 ILE A 17 1.573 0.071 6.419 1.00 24.32 H new ATOM 0 HG23 ILE A 17 1.426 -0.384 4.705 1.00 24.32 H new ATOM 0 HD11 ILE A 17 -3.039 1.259 3.578 1.00 25.42 H new ATOM 0 HD12 ILE A 17 -3.160 0.134 4.951 1.00 25.42 H new ATOM 0 HD13 ILE A 17 -2.667 1.823 5.224 1.00 25.42 H new ATOM 262 N GLU A 18 0.915 -2.364 7.445 1.00 62.14 N ATOM 263 CA GLU A 18 1.598 -2.691 8.707 1.00 42.12 C ATOM 264 C GLU A 18 2.914 -1.908 8.864 1.00 71.34 C ATOM 265 O GLU A 18 3.289 -1.526 9.976 1.00 63.12 O ATOM 266 CB GLU A 18 1.851 -4.205 8.811 1.00 1.35 C ATOM 267 CG GLU A 18 2.442 -4.635 10.152 1.00 61.13 C ATOM 268 CD GLU A 18 2.398 -6.141 10.366 1.00 25.21 C ATOM 269 OE1 GLU A 18 3.329 -6.841 9.919 1.00 74.31 O ATOM 270 OE2 GLU A 18 1.426 -6.632 10.984 1.00 54.11 O ATOM 0 H GLU A 18 1.331 -2.788 6.615 1.00 62.14 H new ATOM 0 HA GLU A 18 0.940 -2.391 9.522 1.00 42.12 H new ATOM 0 HB2 GLU A 18 0.911 -4.734 8.651 1.00 1.35 H new ATOM 0 HB3 GLU A 18 2.527 -4.508 8.011 1.00 1.35 H new ATOM 0 HG2 GLU A 18 3.476 -4.295 10.213 1.00 61.13 H new ATOM 0 HG3 GLU A 18 1.897 -4.143 10.958 1.00 61.13 H new ATOM 277 N GLU A 19 3.609 -1.658 7.755 1.00 1.32 N ATOM 278 CA GLU A 19 4.852 -0.877 7.791 1.00 21.51 C ATOM 279 C GLU A 19 5.018 -0.026 6.522 1.00 20.22 C ATOM 280 O GLU A 19 4.625 -0.433 5.426 1.00 13.00 O ATOM 281 CB GLU A 19 6.069 -1.799 7.970 1.00 52.40 C ATOM 282 CG GLU A 19 7.391 -1.044 8.097 1.00 45.11 C ATOM 283 CD GLU A 19 8.572 -1.951 8.405 1.00 52.43 C ATOM 284 OE1 GLU A 19 8.767 -2.293 9.591 1.00 44.13 O ATOM 285 OE2 GLU A 19 9.317 -2.317 7.472 1.00 25.52 O ATOM 0 H GLU A 19 3.338 -1.980 6.826 1.00 1.32 H new ATOM 0 HA GLU A 19 4.790 -0.204 8.646 1.00 21.51 H new ATOM 0 HB2 GLU A 19 5.923 -2.412 8.859 1.00 52.40 H new ATOM 0 HB3 GLU A 19 6.128 -2.479 7.120 1.00 52.40 H new ATOM 0 HG2 GLU A 19 7.586 -0.507 7.169 1.00 45.11 H new ATOM 0 HG3 GLU A 19 7.301 -0.296 8.885 1.00 45.11 H new ATOM 292 N ILE A 20 5.597 1.163 6.681 1.00 73.43 N ATOM 293 CA ILE A 20 5.838 2.078 5.560 1.00 52.44 C ATOM 294 C ILE A 20 7.281 2.595 5.580 1.00 52.35 C ATOM 295 O ILE A 20 7.763 3.062 6.613 1.00 14.51 O ATOM 296 CB ILE A 20 4.886 3.302 5.604 1.00 31.22 C ATOM 297 CG1 ILE A 20 3.419 2.851 5.686 1.00 30.42 C ATOM 298 CG2 ILE A 20 5.104 4.196 4.381 1.00 34.21 C ATOM 299 CD1 ILE A 20 2.435 3.995 5.793 1.00 52.30 C ATOM 0 H ILE A 20 5.911 1.520 7.583 1.00 73.43 H new ATOM 0 HA ILE A 20 5.653 1.509 4.649 1.00 52.44 H new ATOM 0 HB ILE A 20 5.116 3.879 6.500 1.00 31.22 H new ATOM 0 HG12 ILE A 20 3.180 2.260 4.802 1.00 30.42 H new ATOM 0 HG13 ILE A 20 3.297 2.197 6.549 1.00 30.42 H new ATOM 0 HG21 ILE A 20 4.428 5.049 4.429 1.00 34.21 H new ATOM 0 HG22 ILE A 20 6.135 4.550 4.368 1.00 34.21 H new ATOM 0 HG23 ILE A 20 4.905 3.626 3.474 1.00 34.21 H new ATOM 0 HD11 ILE A 20 1.421 3.599 5.847 1.00 52.30 H new ATOM 0 HD12 ILE A 20 2.646 4.574 6.692 1.00 52.30 H new ATOM 0 HD13 ILE A 20 2.528 4.638 4.918 1.00 52.30 H new ATOM 311 N ASP A 21 7.966 2.513 4.444 1.00 72.41 N ATOM 312 CA ASP A 21 9.318 3.057 4.331 1.00 42.21 C ATOM 313 C ASP A 21 9.285 4.595 4.230 1.00 41.00 C ATOM 314 O ASP A 21 8.348 5.180 3.676 1.00 11.24 O ATOM 315 CB ASP A 21 10.032 2.443 3.123 1.00 75.14 C ATOM 316 CG ASP A 21 11.394 3.065 2.881 1.00 2.12 C ATOM 317 OD1 ASP A 21 12.252 3.010 3.785 1.00 34.43 O ATOM 318 OD2 ASP A 21 11.608 3.619 1.791 1.00 15.40 O ATOM 0 H ASP A 21 7.611 2.078 3.592 1.00 72.41 H new ATOM 0 HA ASP A 21 9.875 2.797 5.231 1.00 42.21 H new ATOM 0 HB2 ASP A 21 10.148 1.370 3.279 1.00 75.14 H new ATOM 0 HB3 ASP A 21 9.414 2.571 2.235 1.00 75.14 H new ATOM 323 N VAL A 22 10.311 5.240 4.777 1.00 11.12 N ATOM 324 CA VAL A 22 10.388 6.706 4.803 1.00 64.02 C ATOM 325 C VAL A 22 11.405 7.242 3.774 1.00 65.32 C ATOM 326 O VAL A 22 11.286 8.372 3.299 1.00 33.11 O ATOM 327 CB VAL A 22 10.762 7.210 6.223 1.00 64.31 C ATOM 328 CG1 VAL A 22 12.167 6.755 6.618 1.00 74.22 C ATOM 329 CG2 VAL A 22 10.625 8.730 6.316 1.00 73.11 C ATOM 0 H VAL A 22 11.107 4.772 5.211 1.00 11.12 H new ATOM 0 HA VAL A 22 9.402 7.086 4.535 1.00 64.02 H new ATOM 0 HB VAL A 22 10.062 6.768 6.931 1.00 64.31 H new ATOM 0 HG11 VAL A 22 12.401 7.123 7.617 1.00 74.22 H new ATOM 0 HG12 VAL A 22 12.212 5.666 6.613 1.00 74.22 H new ATOM 0 HG13 VAL A 22 12.891 7.151 5.906 1.00 74.22 H new ATOM 0 HG21 VAL A 22 10.892 9.059 7.320 1.00 73.11 H new ATOM 0 HG22 VAL A 22 11.290 9.200 5.591 1.00 73.11 H new ATOM 0 HG23 VAL A 22 9.595 9.016 6.103 1.00 73.11 H new ATOM 339 N ASP A 23 12.386 6.408 3.419 1.00 23.24 N ATOM 340 CA ASP A 23 13.444 6.789 2.476 1.00 35.43 C ATOM 341 C ASP A 23 12.875 7.074 1.072 1.00 64.11 C ATOM 342 O ASP A 23 13.063 8.158 0.518 1.00 31.45 O ATOM 343 CB ASP A 23 14.493 5.666 2.417 1.00 11.11 C ATOM 344 CG ASP A 23 15.586 5.912 1.388 1.00 4.21 C ATOM 345 OD1 ASP A 23 16.542 6.653 1.688 1.00 2.32 O ATOM 346 OD2 ASP A 23 15.507 5.337 0.278 1.00 4.35 O ATOM 0 H ASP A 23 12.470 5.455 3.774 1.00 23.24 H new ATOM 0 HA ASP A 23 13.911 7.710 2.827 1.00 35.43 H new ATOM 0 HB2 ASP A 23 14.949 5.553 3.401 1.00 11.11 H new ATOM 0 HB3 ASP A 23 13.994 4.725 2.188 1.00 11.11 H new ATOM 351 N GLY A 24 12.181 6.093 0.507 1.00 34.14 N ATOM 352 CA GLY A 24 11.599 6.241 -0.823 1.00 32.33 C ATOM 353 C GLY A 24 11.633 4.945 -1.624 1.00 4.22 C ATOM 354 O GLY A 24 11.931 4.950 -2.819 1.00 61.04 O ATOM 0 H GLY A 24 12.008 5.189 0.947 1.00 34.14 H new ATOM 0 HA2 GLY A 24 10.567 6.579 -0.729 1.00 32.33 H new ATOM 0 HA3 GLY A 24 12.139 7.015 -1.368 1.00 32.33 H new ATOM 358 N LYS A 25 11.324 3.830 -0.965 1.00 74.12 N ATOM 359 CA LYS A 25 11.398 2.512 -1.600 1.00 42.55 C ATOM 360 C LYS A 25 10.016 1.854 -1.768 1.00 70.43 C ATOM 361 O LYS A 25 9.591 1.583 -2.892 1.00 25.43 O ATOM 362 CB LYS A 25 12.314 1.584 -0.791 1.00 34.42 C ATOM 363 CG LYS A 25 13.762 2.060 -0.703 1.00 2.25 C ATOM 364 CD LYS A 25 14.635 1.058 0.048 1.00 25.22 C ATOM 365 CE LYS A 25 16.095 1.495 0.091 1.00 44.42 C ATOM 366 NZ LYS A 25 16.278 2.768 0.837 1.00 34.43 N ATOM 0 H LYS A 25 11.020 3.811 0.008 1.00 74.12 H new ATOM 0 HA LYS A 25 11.809 2.667 -2.597 1.00 42.55 H new ATOM 0 HB2 LYS A 25 11.913 1.485 0.218 1.00 34.42 H new ATOM 0 HB3 LYS A 25 12.296 0.591 -1.240 1.00 34.42 H new ATOM 0 HG2 LYS A 25 14.159 2.209 -1.707 1.00 2.25 H new ATOM 0 HG3 LYS A 25 13.799 3.026 -0.199 1.00 2.25 H new ATOM 0 HD2 LYS A 25 14.261 0.942 1.065 1.00 25.22 H new ATOM 0 HD3 LYS A 25 14.562 0.082 -0.432 1.00 25.22 H new ATOM 0 HE2 LYS A 25 16.693 0.713 0.558 1.00 44.42 H new ATOM 0 HE3 LYS A 25 16.467 1.615 -0.927 1.00 44.42 H new ATOM 0 HZ1 LYS A 25 17.294 2.965 0.943 1.00 34.43 H new ATOM 0 HZ2 LYS A 25 15.827 3.545 0.313 1.00 34.43 H new ATOM 0 HZ3 LYS A 25 15.841 2.685 1.777 1.00 34.43 H new ATOM 380 N PHE A 26 9.314 1.583 -0.660 1.00 30.31 N ATOM 381 CA PHE A 26 8.081 0.781 -0.729 1.00 41.44 C ATOM 382 C PHE A 26 7.070 1.082 0.396 1.00 40.12 C ATOM 383 O PHE A 26 7.373 1.759 1.380 1.00 44.23 O ATOM 384 CB PHE A 26 8.443 -0.713 -0.682 1.00 1.14 C ATOM 385 CG PHE A 26 9.078 -1.151 0.622 1.00 34.32 C ATOM 386 CD1 PHE A 26 10.450 -1.041 0.818 1.00 25.14 C ATOM 387 CD2 PHE A 26 8.300 -1.673 1.651 1.00 0.32 C ATOM 388 CE1 PHE A 26 11.030 -1.439 2.007 1.00 25.13 C ATOM 389 CE2 PHE A 26 8.879 -2.071 2.843 1.00 64.32 C ATOM 390 CZ PHE A 26 10.245 -1.955 3.019 1.00 0.53 C ATOM 0 H PHE A 26 9.569 1.898 0.276 1.00 30.31 H new ATOM 0 HA PHE A 26 7.596 1.050 -1.667 1.00 41.44 H new ATOM 0 HB2 PHE A 26 7.541 -1.301 -0.851 1.00 1.14 H new ATOM 0 HB3 PHE A 26 9.127 -0.937 -1.501 1.00 1.14 H new ATOM 0 HD1 PHE A 26 11.070 -0.639 0.031 1.00 25.14 H new ATOM 0 HD2 PHE A 26 7.233 -1.769 1.518 1.00 0.32 H new ATOM 0 HE1 PHE A 26 12.097 -1.347 2.145 1.00 25.13 H new ATOM 0 HE2 PHE A 26 8.264 -2.472 3.635 1.00 64.32 H new ATOM 0 HZ PHE A 26 10.698 -2.268 3.948 1.00 0.53 H new ATOM 400 N ILE A 27 5.856 0.555 0.217 1.00 32.02 N ATOM 401 CA ILE A 27 4.821 0.539 1.258 1.00 22.52 C ATOM 402 C ILE A 27 4.322 -0.906 1.461 1.00 12.33 C ATOM 403 O ILE A 27 4.005 -1.599 0.490 1.00 62.22 O ATOM 404 CB ILE A 27 3.616 1.445 0.885 1.00 12.23 C ATOM 405 CG1 ILE A 27 4.087 2.882 0.593 1.00 60.45 C ATOM 406 CG2 ILE A 27 2.569 1.441 2.004 1.00 72.11 C ATOM 407 CD1 ILE A 27 2.976 3.811 0.154 1.00 41.51 C ATOM 0 H ILE A 27 5.560 0.124 -0.659 1.00 32.02 H new ATOM 0 HA ILE A 27 5.264 0.924 2.176 1.00 22.52 H new ATOM 0 HB ILE A 27 3.155 1.044 -0.018 1.00 12.23 H new ATOM 0 HG12 ILE A 27 4.556 3.290 1.488 1.00 60.45 H new ATOM 0 HG13 ILE A 27 4.852 2.853 -0.183 1.00 60.45 H new ATOM 0 HG21 ILE A 27 1.733 2.082 1.723 1.00 72.11 H new ATOM 0 HG22 ILE A 27 2.209 0.424 2.162 1.00 72.11 H new ATOM 0 HG23 ILE A 27 3.019 1.814 2.924 1.00 72.11 H new ATOM 0 HD11 ILE A 27 3.385 4.804 -0.033 1.00 41.51 H new ATOM 0 HD12 ILE A 27 2.521 3.428 -0.759 1.00 41.51 H new ATOM 0 HD13 ILE A 27 2.221 3.871 0.938 1.00 41.51 H new ATOM 419 N ARG A 28 4.255 -1.370 2.709 1.00 31.20 N ATOM 420 CA ARG A 28 3.889 -2.767 2.988 1.00 12.12 C ATOM 421 C ARG A 28 2.419 -2.915 3.424 1.00 71.51 C ATOM 422 O ARG A 28 2.067 -2.633 4.575 1.00 31.34 O ATOM 423 CB ARG A 28 4.817 -3.350 4.067 1.00 21.25 C ATOM 424 CG ARG A 28 4.518 -4.804 4.428 1.00 51.51 C ATOM 425 CD ARG A 28 5.491 -5.337 5.475 1.00 60.10 C ATOM 426 NE ARG A 28 6.872 -5.359 4.989 1.00 61.15 N ATOM 427 CZ ARG A 28 7.921 -5.205 5.751 1.00 3.51 C ATOM 428 NH1 ARG A 28 7.792 -5.052 7.030 1.00 33.02 N ATOM 429 NH2 ARG A 28 9.105 -5.221 5.231 1.00 61.42 N ATOM 0 H ARG A 28 4.447 -0.808 3.539 1.00 31.20 H new ATOM 0 HA ARG A 28 4.008 -3.322 2.058 1.00 12.12 H new ATOM 0 HB2 ARG A 28 5.848 -3.277 3.722 1.00 21.25 H new ATOM 0 HB3 ARG A 28 4.738 -2.740 4.967 1.00 21.25 H new ATOM 0 HG2 ARG A 28 3.498 -4.883 4.805 1.00 51.51 H new ATOM 0 HG3 ARG A 28 4.575 -5.421 3.531 1.00 51.51 H new ATOM 0 HD2 ARG A 28 5.433 -4.718 6.370 1.00 60.10 H new ATOM 0 HD3 ARG A 28 5.194 -6.345 5.764 1.00 60.10 H new ATOM 0 HE ARG A 28 7.024 -5.504 3.991 1.00 61.15 H new ATOM 0 HH11 ARG A 28 6.864 -5.051 7.452 1.00 33.02 H new ATOM 0 HH12 ARG A 28 8.619 -4.933 7.615 1.00 33.02 H new ATOM 0 HH21 ARG A 28 9.219 -5.354 4.226 1.00 61.42 H new ATOM 0 HH22 ARG A 28 9.925 -5.101 5.826 1.00 61.42 H new ATOM 443 N LEU A 29 1.568 -3.354 2.494 1.00 73.42 N ATOM 444 CA LEU A 29 0.167 -3.677 2.803 1.00 44.11 C ATOM 445 C LEU A 29 0.047 -5.143 3.246 1.00 74.33 C ATOM 446 O LEU A 29 0.881 -5.975 2.890 1.00 11.05 O ATOM 447 CB LEU A 29 -0.740 -3.425 1.586 1.00 4.33 C ATOM 448 CG LEU A 29 -0.954 -1.952 1.190 1.00 11.13 C ATOM 449 CD1 LEU A 29 0.340 -1.311 0.700 1.00 41.21 C ATOM 450 CD2 LEU A 29 -2.045 -1.838 0.126 1.00 42.22 C ATOM 0 H LEU A 29 1.823 -3.495 1.516 1.00 73.42 H new ATOM 0 HA LEU A 29 -0.158 -3.027 3.615 1.00 44.11 H new ATOM 0 HB2 LEU A 29 -0.319 -3.952 0.730 1.00 4.33 H new ATOM 0 HB3 LEU A 29 -1.714 -3.871 1.787 1.00 4.33 H new ATOM 0 HG LEU A 29 -1.274 -1.412 2.081 1.00 11.13 H new ATOM 0 HD11 LEU A 29 0.152 -0.272 0.429 1.00 41.21 H new ATOM 0 HD12 LEU A 29 1.088 -1.350 1.492 1.00 41.21 H new ATOM 0 HD13 LEU A 29 0.707 -1.852 -0.172 1.00 41.21 H new ATOM 0 HD21 LEU A 29 -2.183 -0.791 -0.142 1.00 42.22 H new ATOM 0 HD22 LEU A 29 -1.751 -2.403 -0.758 1.00 42.22 H new ATOM 0 HD23 LEU A 29 -2.980 -2.238 0.519 1.00 42.22 H new ATOM 462 N LYS A 30 -0.995 -5.464 4.005 1.00 52.42 N ATOM 463 CA LYS A 30 -1.121 -6.797 4.604 1.00 65.44 C ATOM 464 C LYS A 30 -2.590 -7.242 4.701 1.00 2.00 C ATOM 465 O LYS A 30 -3.437 -6.520 5.228 1.00 73.23 O ATOM 466 CB LYS A 30 -0.483 -6.779 6.000 1.00 42.44 C ATOM 467 CG LYS A 30 -0.328 -8.150 6.651 1.00 44.05 C ATOM 468 CD LYS A 30 0.398 -8.034 7.990 1.00 10.41 C ATOM 469 CE LYS A 30 0.768 -9.389 8.576 1.00 44.11 C ATOM 470 NZ LYS A 30 1.470 -9.247 9.879 1.00 63.42 N ATOM 0 H LYS A 30 -1.762 -4.828 4.222 1.00 52.42 H new ATOM 0 HA LYS A 30 -0.606 -7.513 3.964 1.00 65.44 H new ATOM 0 HB2 LYS A 30 0.500 -6.313 5.929 1.00 42.44 H new ATOM 0 HB3 LYS A 30 -1.088 -6.149 6.652 1.00 42.44 H new ATOM 0 HG2 LYS A 30 -1.310 -8.599 6.802 1.00 44.05 H new ATOM 0 HG3 LYS A 30 0.227 -8.813 5.987 1.00 44.05 H new ATOM 0 HD2 LYS A 30 1.303 -7.440 7.858 1.00 10.41 H new ATOM 0 HD3 LYS A 30 -0.235 -7.498 8.697 1.00 10.41 H new ATOM 0 HE2 LYS A 30 -0.134 -9.987 8.711 1.00 44.11 H new ATOM 0 HE3 LYS A 30 1.406 -9.928 7.875 1.00 44.11 H new ATOM 0 HZ1 LYS A 30 1.227 -10.050 10.494 1.00 63.42 H new ATOM 0 HZ2 LYS A 30 2.498 -9.232 9.720 1.00 63.42 H new ATOM 0 HZ3 LYS A 30 1.177 -8.360 10.336 1.00 63.42 H new ATOM 484 N ASN A 31 -2.882 -8.434 4.184 1.00 10.12 N ATOM 485 CA ASN A 31 -4.229 -9.008 4.264 1.00 45.03 C ATOM 486 C ASN A 31 -4.433 -9.728 5.606 1.00 12.02 C ATOM 487 O ASN A 31 -3.840 -10.776 5.849 1.00 62.44 O ATOM 488 CB ASN A 31 -4.453 -9.994 3.109 1.00 22.15 C ATOM 489 CG ASN A 31 -5.816 -10.665 3.171 1.00 42.10 C ATOM 490 OD1 ASN A 31 -6.784 -10.084 3.646 1.00 1.33 O ATOM 491 ND2 ASN A 31 -5.899 -11.898 2.710 1.00 45.52 N ATOM 0 H ASN A 31 -2.203 -9.025 3.703 1.00 10.12 H new ATOM 0 HA ASN A 31 -4.952 -8.195 4.189 1.00 45.03 H new ATOM 0 HB2 ASN A 31 -4.355 -9.466 2.161 1.00 22.15 H new ATOM 0 HB3 ASN A 31 -3.675 -10.757 3.131 1.00 22.15 H new ATOM 0 HD21 ASN A 31 -6.789 -12.396 2.743 1.00 45.52 H new ATOM 0 HD22 ASN A 31 -5.074 -12.354 2.321 1.00 45.52 H new ATOM 498 N THR A 32 -5.271 -9.169 6.475 1.00 61.20 N ATOM 499 CA THR A 32 -5.540 -9.784 7.783 1.00 51.34 C ATOM 500 C THR A 32 -6.806 -10.659 7.736 1.00 12.03 C ATOM 501 O THR A 32 -7.302 -11.119 8.769 1.00 54.54 O ATOM 502 CB THR A 32 -5.681 -8.712 8.898 1.00 71.24 C ATOM 503 OG1 THR A 32 -5.671 -9.329 10.195 1.00 34.53 O ATOM 504 CG2 THR A 32 -6.962 -7.900 8.737 1.00 24.41 C ATOM 0 H THR A 32 -5.775 -8.298 6.305 1.00 61.20 H new ATOM 0 HA THR A 32 -4.685 -10.417 8.020 1.00 51.34 H new ATOM 0 HB THR A 32 -4.829 -8.038 8.807 1.00 71.24 H new ATOM 0 HG1 THR A 32 -6.175 -10.169 10.162 1.00 34.53 H new ATOM 0 HG21 THR A 32 -7.026 -7.160 9.535 1.00 24.41 H new ATOM 0 HG22 THR A 32 -6.953 -7.393 7.772 1.00 24.41 H new ATOM 0 HG23 THR A 32 -7.824 -8.566 8.789 1.00 24.41 H new ATOM 512 N SER A 33 -7.319 -10.883 6.525 1.00 72.45 N ATOM 513 CA SER A 33 -8.506 -11.727 6.318 1.00 31.12 C ATOM 514 C SER A 33 -8.135 -13.216 6.283 1.00 4.14 C ATOM 515 O SER A 33 -7.043 -13.589 5.855 1.00 3.24 O ATOM 516 CB SER A 33 -9.220 -11.346 5.012 1.00 63.22 C ATOM 517 OG SER A 33 -10.359 -12.163 4.784 1.00 20.21 O ATOM 0 H SER A 33 -6.932 -10.491 5.667 1.00 72.45 H new ATOM 0 HA SER A 33 -9.177 -11.556 7.160 1.00 31.12 H new ATOM 0 HB2 SER A 33 -9.524 -10.300 5.054 1.00 63.22 H new ATOM 0 HB3 SER A 33 -8.528 -11.444 4.176 1.00 63.22 H new ATOM 0 HG SER A 33 -10.511 -12.250 3.820 1.00 20.21 H new ATOM 523 N GLU A 34 -9.062 -14.063 6.715 1.00 41.51 N ATOM 524 CA GLU A 34 -8.834 -15.512 6.790 1.00 65.43 C ATOM 525 C GLU A 34 -9.137 -16.199 5.445 1.00 31.12 C ATOM 526 O GLU A 34 -9.745 -17.273 5.409 1.00 51.01 O ATOM 527 CB GLU A 34 -9.720 -16.112 7.894 1.00 74.31 C ATOM 528 CG GLU A 34 -9.561 -15.438 9.253 1.00 22.43 C ATOM 529 CD GLU A 34 -10.491 -16.018 10.306 1.00 62.11 C ATOM 530 OE1 GLU A 34 -11.724 -15.836 10.185 1.00 13.04 O ATOM 531 OE2 GLU A 34 -10.002 -16.677 11.249 1.00 12.41 O ATOM 0 H GLU A 34 -9.990 -13.773 7.023 1.00 41.51 H new ATOM 0 HA GLU A 34 -7.783 -15.682 7.023 1.00 65.43 H new ATOM 0 HB2 GLU A 34 -10.763 -16.043 7.586 1.00 74.31 H new ATOM 0 HB3 GLU A 34 -9.487 -17.172 7.996 1.00 74.31 H new ATOM 0 HG2 GLU A 34 -8.529 -15.543 9.588 1.00 22.43 H new ATOM 0 HG3 GLU A 34 -9.756 -14.371 9.150 1.00 22.43 H new ATOM 538 N GLN A 35 -8.694 -15.588 4.345 1.00 61.02 N ATOM 539 CA GLN A 35 -8.972 -16.108 3.000 1.00 51.21 C ATOM 540 C GLN A 35 -8.132 -15.389 1.927 1.00 42.23 C ATOM 541 O GLN A 35 -7.716 -14.242 2.112 1.00 24.14 O ATOM 542 CB GLN A 35 -10.473 -15.961 2.686 1.00 72.24 C ATOM 543 CG GLN A 35 -10.866 -16.398 1.280 1.00 63.34 C ATOM 544 CD GLN A 35 -12.356 -16.286 1.026 1.00 53.50 C ATOM 545 OE1 GLN A 35 -13.171 -16.450 1.928 1.00 24.23 O ATOM 546 NE2 GLN A 35 -12.726 -15.994 -0.205 1.00 44.10 N ATOM 0 H GLN A 35 -8.140 -14.731 4.356 1.00 61.02 H new ATOM 0 HA GLN A 35 -8.696 -17.162 2.982 1.00 51.21 H new ATOM 0 HB2 GLN A 35 -11.042 -16.546 3.408 1.00 72.24 H new ATOM 0 HB3 GLN A 35 -10.760 -14.919 2.823 1.00 72.24 H new ATOM 0 HG2 GLN A 35 -10.331 -15.788 0.552 1.00 63.34 H new ATOM 0 HG3 GLN A 35 -10.552 -17.430 1.124 1.00 63.34 H new ATOM 0 HE21 GLN A 35 -12.022 -15.864 -0.932 1.00 44.10 H new ATOM 0 HE22 GLN A 35 -13.716 -15.898 -0.431 1.00 44.10 H new ATOM 555 N ASP A 36 -7.882 -16.076 0.807 1.00 12.01 N ATOM 556 CA ASP A 36 -7.150 -15.489 -0.320 1.00 31.21 C ATOM 557 C ASP A 36 -7.975 -14.377 -0.992 1.00 62.31 C ATOM 558 O ASP A 36 -8.929 -14.655 -1.725 1.00 72.52 O ATOM 559 CB ASP A 36 -6.811 -16.568 -1.351 1.00 64.13 C ATOM 560 CG ASP A 36 -6.169 -17.791 -0.728 1.00 31.10 C ATOM 561 OD1 ASP A 36 -4.964 -17.748 -0.414 1.00 34.43 O ATOM 562 OD2 ASP A 36 -6.875 -18.804 -0.540 1.00 70.15 O ATOM 0 H ASP A 36 -8.177 -17.041 0.657 1.00 12.01 H new ATOM 0 HA ASP A 36 -6.228 -15.055 0.067 1.00 31.21 H new ATOM 0 HB2 ASP A 36 -7.721 -16.866 -1.872 1.00 64.13 H new ATOM 0 HB3 ASP A 36 -6.138 -16.151 -2.100 1.00 64.13 H new ATOM 567 N GLN A 37 -7.614 -13.126 -0.735 1.00 63.10 N ATOM 568 CA GLN A 37 -8.359 -11.982 -1.274 1.00 1.42 C ATOM 569 C GLN A 37 -7.739 -11.460 -2.586 1.00 43.42 C ATOM 570 O GLN A 37 -6.581 -11.040 -2.609 1.00 20.30 O ATOM 571 CB GLN A 37 -8.410 -10.856 -0.232 1.00 24.20 C ATOM 572 CG GLN A 37 -9.030 -11.281 1.102 1.00 3.02 C ATOM 573 CD GLN A 37 -10.487 -11.715 0.991 1.00 75.21 C ATOM 574 OE1 GLN A 37 -10.946 -12.583 1.727 1.00 44.41 O ATOM 575 NE2 GLN A 37 -11.236 -11.089 0.104 1.00 25.21 N ATOM 0 H GLN A 37 -6.812 -12.872 -0.158 1.00 63.10 H new ATOM 0 HA GLN A 37 -9.371 -12.320 -1.499 1.00 1.42 H new ATOM 0 HB2 GLN A 37 -7.398 -10.492 -0.053 1.00 24.20 H new ATOM 0 HB3 GLN A 37 -8.981 -10.022 -0.639 1.00 24.20 H new ATOM 0 HG2 GLN A 37 -8.446 -12.102 1.518 1.00 3.02 H new ATOM 0 HG3 GLN A 37 -8.960 -10.451 1.806 1.00 3.02 H new ATOM 0 HE21 GLN A 37 -10.826 -10.372 -0.494 1.00 25.21 H new ATOM 0 HE22 GLN A 37 -12.225 -11.322 0.016 1.00 25.21 H new ATOM 584 N PRO A 38 -8.497 -11.491 -3.702 1.00 60.10 N ATOM 585 CA PRO A 38 -8.039 -10.944 -4.993 1.00 13.04 C ATOM 586 C PRO A 38 -7.914 -9.407 -4.972 1.00 70.12 C ATOM 587 O PRO A 38 -8.903 -8.693 -4.784 1.00 1.23 O ATOM 588 CB PRO A 38 -9.134 -11.385 -5.989 1.00 41.33 C ATOM 589 CG PRO A 38 -9.929 -12.426 -5.269 1.00 54.03 C ATOM 590 CD PRO A 38 -9.847 -12.069 -3.812 1.00 11.43 C ATOM 0 HA PRO A 38 -7.044 -11.305 -5.252 1.00 13.04 H new ATOM 0 HB2 PRO A 38 -9.762 -10.543 -6.281 1.00 41.33 H new ATOM 0 HB3 PRO A 38 -8.696 -11.787 -6.902 1.00 41.33 H new ATOM 0 HG2 PRO A 38 -10.964 -12.434 -5.612 1.00 54.03 H new ATOM 0 HG3 PRO A 38 -9.525 -13.422 -5.451 1.00 54.03 H new ATOM 0 HD2 PRO A 38 -10.619 -11.355 -3.525 1.00 11.43 H new ATOM 0 HD3 PRO A 38 -9.968 -12.943 -3.172 1.00 11.43 H new ATOM 598 N MET A 39 -6.698 -8.901 -5.169 1.00 31.23 N ATOM 599 CA MET A 39 -6.442 -7.453 -5.108 1.00 31.43 C ATOM 600 C MET A 39 -6.936 -6.737 -6.383 1.00 50.10 C ATOM 601 O MET A 39 -6.148 -6.399 -7.265 1.00 10.55 O ATOM 602 CB MET A 39 -4.939 -7.196 -4.901 1.00 53.52 C ATOM 603 CG MET A 39 -4.586 -5.773 -4.466 1.00 33.25 C ATOM 604 SD MET A 39 -4.451 -5.584 -2.670 1.00 22.15 S ATOM 605 CE MET A 39 -6.118 -5.944 -2.122 1.00 71.53 C ATOM 0 H MET A 39 -5.873 -9.466 -5.372 1.00 31.23 H new ATOM 0 HA MET A 39 -6.998 -7.046 -4.263 1.00 31.43 H new ATOM 0 HB2 MET A 39 -4.565 -7.893 -4.151 1.00 53.52 H new ATOM 0 HB3 MET A 39 -4.415 -7.417 -5.831 1.00 53.52 H new ATOM 0 HG2 MET A 39 -3.641 -5.484 -4.927 1.00 33.25 H new ATOM 0 HG3 MET A 39 -5.346 -5.087 -4.840 1.00 33.25 H new ATOM 0 HE1 MET A 39 -6.305 -5.442 -1.173 1.00 71.53 H new ATOM 0 HE2 MET A 39 -6.830 -5.589 -2.867 1.00 71.53 H new ATOM 0 HE3 MET A 39 -6.234 -7.020 -1.992 1.00 71.53 H new ATOM 615 N GLY A 40 -8.250 -6.525 -6.480 1.00 71.34 N ATOM 616 CA GLY A 40 -8.829 -5.904 -7.675 1.00 21.11 C ATOM 617 C GLY A 40 -9.565 -4.592 -7.399 1.00 23.33 C ATOM 618 O GLY A 40 -9.110 -3.518 -7.804 1.00 43.22 O ATOM 0 H GLY A 40 -8.926 -6.770 -5.757 1.00 71.34 H new ATOM 0 HA2 GLY A 40 -8.034 -5.718 -8.397 1.00 21.11 H new ATOM 0 HA3 GLY A 40 -9.522 -6.607 -8.138 1.00 21.11 H new ATOM 622 N GLY A 41 -10.704 -4.675 -6.711 1.00 54.34 N ATOM 623 CA GLY A 41 -11.515 -3.486 -6.424 1.00 14.11 C ATOM 624 C GLY A 41 -10.963 -2.624 -5.285 1.00 50.40 C ATOM 625 O GLY A 41 -11.698 -2.230 -4.376 1.00 43.12 O ATOM 0 H GLY A 41 -11.086 -5.546 -6.343 1.00 54.34 H new ATOM 0 HA2 GLY A 41 -11.585 -2.879 -7.326 1.00 14.11 H new ATOM 0 HA3 GLY A 41 -12.528 -3.800 -6.172 1.00 14.11 H new ATOM 629 N TRP A 42 -9.670 -2.323 -5.343 1.00 71.24 N ATOM 630 CA TRP A 42 -9.002 -1.509 -4.320 1.00 71.43 C ATOM 631 C TRP A 42 -8.201 -0.367 -4.958 1.00 52.14 C ATOM 632 O TRP A 42 -7.554 -0.551 -5.992 1.00 13.41 O ATOM 633 CB TRP A 42 -8.064 -2.382 -3.473 1.00 73.12 C ATOM 634 CG TRP A 42 -8.776 -3.343 -2.563 1.00 3.25 C ATOM 635 CD1 TRP A 42 -9.351 -4.536 -2.902 1.00 73.52 C ATOM 636 CD2 TRP A 42 -8.973 -3.192 -1.152 1.00 43.43 C ATOM 637 NE1 TRP A 42 -9.897 -5.129 -1.791 1.00 11.42 N ATOM 638 CE2 TRP A 42 -9.679 -4.323 -0.705 1.00 4.54 C ATOM 639 CE3 TRP A 42 -8.623 -2.205 -0.222 1.00 1.50 C ATOM 640 CZ2 TRP A 42 -10.039 -4.499 0.627 1.00 13.12 C ATOM 641 CZ3 TRP A 42 -8.982 -2.381 1.101 1.00 43.41 C ATOM 642 CH2 TRP A 42 -9.684 -3.521 1.513 1.00 60.11 C ATOM 0 H TRP A 42 -9.053 -2.632 -6.094 1.00 71.24 H new ATOM 0 HA TRP A 42 -9.773 -1.079 -3.681 1.00 71.43 H new ATOM 0 HB2 TRP A 42 -7.410 -2.945 -4.138 1.00 73.12 H new ATOM 0 HB3 TRP A 42 -7.426 -1.734 -2.872 1.00 73.12 H new ATOM 0 HD1 TRP A 42 -9.373 -4.951 -3.899 1.00 73.52 H new ATOM 0 HE1 TRP A 42 -10.386 -6.024 -1.776 1.00 11.42 H new ATOM 0 HE3 TRP A 42 -8.083 -1.323 -0.533 1.00 1.50 H new ATOM 0 HZ2 TRP A 42 -10.579 -5.377 0.949 1.00 13.12 H new ATOM 0 HZ3 TRP A 42 -8.717 -1.628 1.828 1.00 43.41 H new ATOM 0 HH2 TRP A 42 -9.951 -3.629 2.554 1.00 60.11 H new ATOM 653 N GLU A 43 -8.245 0.806 -4.334 1.00 2.54 N ATOM 654 CA GLU A 43 -7.489 1.972 -4.806 1.00 2.43 C ATOM 655 C GLU A 43 -6.812 2.694 -3.630 1.00 64.30 C ATOM 656 O GLU A 43 -7.466 3.070 -2.655 1.00 43.32 O ATOM 657 CB GLU A 43 -8.415 2.936 -5.565 1.00 61.21 C ATOM 658 CG GLU A 43 -7.704 4.166 -6.130 1.00 11.35 C ATOM 659 CD GLU A 43 -8.613 5.030 -6.991 1.00 44.24 C ATOM 660 OE1 GLU A 43 -8.857 4.661 -8.161 1.00 72.15 O ATOM 661 OE2 GLU A 43 -9.092 6.078 -6.506 1.00 74.20 O ATOM 0 H GLU A 43 -8.798 0.979 -3.495 1.00 2.54 H new ATOM 0 HA GLU A 43 -6.712 1.625 -5.487 1.00 2.43 H new ATOM 0 HB2 GLU A 43 -8.892 2.397 -6.384 1.00 61.21 H new ATOM 0 HB3 GLU A 43 -9.209 3.264 -4.894 1.00 61.21 H new ATOM 0 HG2 GLU A 43 -7.315 4.765 -5.307 1.00 11.35 H new ATOM 0 HG3 GLU A 43 -6.848 3.844 -6.723 1.00 11.35 H new ATOM 668 N MET A 44 -5.501 2.877 -3.727 1.00 41.35 N ATOM 669 CA MET A 44 -4.721 3.495 -2.650 1.00 65.15 C ATOM 670 C MET A 44 -4.370 4.958 -2.966 1.00 53.54 C ATOM 671 O MET A 44 -3.941 5.282 -4.073 1.00 54.41 O ATOM 672 CB MET A 44 -3.439 2.684 -2.410 1.00 1.22 C ATOM 673 CG MET A 44 -2.568 3.231 -1.289 1.00 10.34 C ATOM 674 SD MET A 44 -1.139 2.186 -0.931 1.00 51.14 S ATOM 675 CE MET A 44 -0.302 2.180 -2.516 1.00 23.42 C ATOM 0 H MET A 44 -4.950 2.607 -4.541 1.00 41.35 H new ATOM 0 HA MET A 44 -5.332 3.493 -1.748 1.00 65.15 H new ATOM 0 HB2 MET A 44 -3.710 1.654 -2.178 1.00 1.22 H new ATOM 0 HB3 MET A 44 -2.857 2.661 -3.331 1.00 1.22 H new ATOM 0 HG2 MET A 44 -2.223 4.229 -1.559 1.00 10.34 H new ATOM 0 HG3 MET A 44 -3.170 3.335 -0.386 1.00 10.34 H new ATOM 0 HE1 MET A 44 -0.167 1.152 -2.852 1.00 23.42 H new ATOM 0 HE2 MET A 44 -0.901 2.725 -3.246 1.00 23.42 H new ATOM 0 HE3 MET A 44 0.672 2.659 -2.415 1.00 23.42 H new ATOM 685 N ILE A 45 -4.564 5.840 -1.987 1.00 74.30 N ATOM 686 CA ILE A 45 -4.214 7.258 -2.130 1.00 60.34 C ATOM 687 C ILE A 45 -3.316 7.719 -0.973 1.00 21.24 C ATOM 688 O ILE A 45 -3.729 7.706 0.185 1.00 61.32 O ATOM 689 CB ILE A 45 -5.476 8.162 -2.168 1.00 33.43 C ATOM 690 CG1 ILE A 45 -6.435 7.707 -3.283 1.00 13.22 C ATOM 691 CG2 ILE A 45 -5.078 9.630 -2.358 1.00 3.31 C ATOM 692 CD1 ILE A 45 -7.639 8.608 -3.464 1.00 4.44 C ATOM 0 H ILE A 45 -4.964 5.599 -1.080 1.00 74.30 H new ATOM 0 HA ILE A 45 -3.680 7.354 -3.076 1.00 60.34 H new ATOM 0 HB ILE A 45 -5.996 8.069 -1.215 1.00 33.43 H new ATOM 0 HG12 ILE A 45 -5.886 7.658 -4.223 1.00 13.22 H new ATOM 0 HG13 ILE A 45 -6.780 6.697 -3.062 1.00 13.22 H new ATOM 0 HG21 ILE A 45 -5.974 10.250 -2.382 1.00 3.31 H new ATOM 0 HG22 ILE A 45 -4.442 9.945 -1.531 1.00 3.31 H new ATOM 0 HG23 ILE A 45 -4.534 9.741 -3.296 1.00 3.31 H new ATOM 0 HD11 ILE A 45 -8.266 8.221 -4.267 1.00 4.44 H new ATOM 0 HD12 ILE A 45 -8.213 8.638 -2.538 1.00 4.44 H new ATOM 0 HD13 ILE A 45 -7.306 9.614 -3.717 1.00 4.44 H new ATOM 704 N ARG A 46 -2.087 8.124 -1.281 1.00 61.14 N ATOM 705 CA ARG A 46 -1.167 8.615 -0.252 1.00 32.55 C ATOM 706 C ARG A 46 -1.114 10.152 -0.250 1.00 64.03 C ATOM 707 O ARG A 46 -0.806 10.776 -1.266 1.00 70.15 O ATOM 708 CB ARG A 46 0.241 8.023 -0.445 1.00 43.43 C ATOM 709 CG ARG A 46 1.161 8.263 0.751 1.00 11.41 C ATOM 710 CD ARG A 46 2.478 7.502 0.637 1.00 73.12 C ATOM 711 NE ARG A 46 3.251 7.586 1.878 1.00 1.12 N ATOM 712 CZ ARG A 46 4.409 7.014 2.081 1.00 32.51 C ATOM 713 NH1 ARG A 46 4.987 6.331 1.146 1.00 51.51 N ATOM 714 NH2 ARG A 46 4.991 7.143 3.229 1.00 72.24 N ATOM 0 H ARG A 46 -1.704 8.123 -2.227 1.00 61.14 H new ATOM 0 HA ARG A 46 -1.543 8.287 0.717 1.00 32.55 H new ATOM 0 HB2 ARG A 46 0.157 6.951 -0.622 1.00 43.43 H new ATOM 0 HB3 ARG A 46 0.693 8.458 -1.336 1.00 43.43 H new ATOM 0 HG2 ARG A 46 1.368 9.330 0.838 1.00 11.41 H new ATOM 0 HG3 ARG A 46 0.649 7.962 1.665 1.00 11.41 H new ATOM 0 HD2 ARG A 46 2.277 6.457 0.401 1.00 73.12 H new ATOM 0 HD3 ARG A 46 3.065 7.908 -0.187 1.00 73.12 H new ATOM 0 HE ARG A 46 2.856 8.133 2.643 1.00 1.12 H new ATOM 0 HH11 ARG A 46 4.539 6.233 0.235 1.00 51.51 H new ATOM 0 HH12 ARG A 46 5.890 5.891 1.320 1.00 51.51 H new ATOM 0 HH21 ARG A 46 4.546 7.688 3.968 1.00 72.24 H new ATOM 0 HH22 ARG A 46 5.895 6.700 3.395 1.00 72.24 H new ATOM 728 N LYS A 47 -1.423 10.748 0.899 1.00 23.33 N ATOM 729 CA LYS A 47 -1.478 12.209 1.042 1.00 70.13 C ATOM 730 C LYS A 47 -0.183 12.771 1.653 1.00 20.23 C ATOM 731 O LYS A 47 0.363 12.212 2.606 1.00 62.01 O ATOM 732 CB LYS A 47 -2.678 12.600 1.921 1.00 61.34 C ATOM 733 CG LYS A 47 -4.028 12.164 1.353 1.00 35.45 C ATOM 734 CD LYS A 47 -5.194 12.580 2.251 1.00 41.22 C ATOM 735 CE LYS A 47 -5.130 11.915 3.623 1.00 73.22 C ATOM 736 NZ LYS A 47 -6.283 12.299 4.479 1.00 35.40 N ATOM 0 H LYS A 47 -1.642 10.239 1.756 1.00 23.33 H new ATOM 0 HA LYS A 47 -1.591 12.638 0.046 1.00 70.13 H new ATOM 0 HB2 LYS A 47 -2.551 12.159 2.910 1.00 61.34 H new ATOM 0 HB3 LYS A 47 -2.682 13.682 2.053 1.00 61.34 H new ATOM 0 HG2 LYS A 47 -4.161 12.599 0.363 1.00 35.45 H new ATOM 0 HG3 LYS A 47 -4.035 11.081 1.229 1.00 35.45 H new ATOM 0 HD2 LYS A 47 -5.188 13.663 2.373 1.00 41.22 H new ATOM 0 HD3 LYS A 47 -6.135 12.319 1.766 1.00 41.22 H new ATOM 0 HE2 LYS A 47 -5.113 10.832 3.501 1.00 73.22 H new ATOM 0 HE3 LYS A 47 -4.201 12.195 4.119 1.00 73.22 H new ATOM 0 HZ1 LYS A 47 -6.203 11.827 5.402 1.00 35.40 H new ATOM 0 HZ2 LYS A 47 -6.285 13.330 4.617 1.00 35.40 H new ATOM 0 HZ3 LYS A 47 -7.169 12.010 4.018 1.00 35.40 H new ATOM 750 N ILE A 48 0.299 13.884 1.101 1.00 31.35 N ATOM 751 CA ILE A 48 1.506 14.546 1.607 1.00 32.12 C ATOM 752 C ILE A 48 1.278 16.059 1.810 1.00 0.23 C ATOM 753 O ILE A 48 1.445 16.866 0.891 1.00 5.23 O ATOM 754 CB ILE A 48 2.720 14.299 0.666 1.00 5.14 C ATOM 755 CG1 ILE A 48 3.949 15.102 1.134 1.00 71.55 C ATOM 756 CG2 ILE A 48 2.369 14.630 -0.786 1.00 21.22 C ATOM 757 CD1 ILE A 48 5.178 14.905 0.274 1.00 72.52 C ATOM 0 H ILE A 48 -0.128 14.349 0.300 1.00 31.35 H new ATOM 0 HA ILE A 48 1.732 14.107 2.579 1.00 32.12 H new ATOM 0 HB ILE A 48 2.971 13.239 0.714 1.00 5.14 H new ATOM 0 HG12 ILE A 48 3.694 16.162 1.148 1.00 71.55 H new ATOM 0 HG13 ILE A 48 4.186 14.818 2.159 1.00 71.55 H new ATOM 0 HG21 ILE A 48 3.236 14.448 -1.421 1.00 21.22 H new ATOM 0 HG22 ILE A 48 1.542 14.000 -1.113 1.00 21.22 H new ATOM 0 HG23 ILE A 48 2.079 15.678 -0.860 1.00 21.22 H new ATOM 0 HD11 ILE A 48 5.999 15.504 0.669 1.00 72.52 H new ATOM 0 HD12 ILE A 48 5.461 13.852 0.280 1.00 72.52 H new ATOM 0 HD13 ILE A 48 4.961 15.217 -0.748 1.00 72.52 H new ATOM 769 N GLY A 49 0.866 16.427 3.026 1.00 35.25 N ATOM 770 CA GLY A 49 0.629 17.829 3.364 1.00 14.52 C ATOM 771 C GLY A 49 -0.379 18.518 2.445 1.00 71.42 C ATOM 772 O GLY A 49 -1.578 18.560 2.739 1.00 65.35 O ATOM 0 H GLY A 49 0.691 15.774 3.790 1.00 35.25 H new ATOM 0 HA2 GLY A 49 0.272 17.891 4.392 1.00 14.52 H new ATOM 0 HA3 GLY A 49 1.575 18.369 3.322 1.00 14.52 H new ATOM 776 N ASP A 50 0.114 19.050 1.330 1.00 42.34 N ATOM 777 CA ASP A 50 -0.723 19.750 0.352 1.00 22.32 C ATOM 778 C ASP A 50 -1.379 18.772 -0.644 1.00 53.11 C ATOM 779 O ASP A 50 -2.602 18.619 -0.666 1.00 63.40 O ATOM 780 CB ASP A 50 0.126 20.788 -0.401 1.00 31.11 C ATOM 781 CG ASP A 50 -0.681 21.604 -1.399 1.00 73.13 C ATOM 782 OD1 ASP A 50 -0.887 21.131 -2.536 1.00 51.04 O ATOM 783 OD2 ASP A 50 -1.109 22.726 -1.057 1.00 10.43 O ATOM 0 H ASP A 50 1.101 19.010 1.077 1.00 42.34 H new ATOM 0 HA ASP A 50 -1.526 20.253 0.891 1.00 22.32 H new ATOM 0 HB2 ASP A 50 0.590 21.461 0.320 1.00 31.11 H new ATOM 0 HB3 ASP A 50 0.933 20.277 -0.926 1.00 31.11 H new ATOM 788 N THR A 51 -0.561 18.101 -1.455 1.00 1.15 N ATOM 789 CA THR A 51 -1.072 17.266 -2.559 1.00 55.44 C ATOM 790 C THR A 51 -1.216 15.782 -2.171 1.00 34.32 C ATOM 791 O THR A 51 -0.901 15.382 -1.049 1.00 71.21 O ATOM 792 CB THR A 51 -0.166 17.377 -3.814 1.00 34.41 C ATOM 793 OG1 THR A 51 -0.727 16.627 -4.903 1.00 51.24 O ATOM 794 CG2 THR A 51 1.250 16.879 -3.523 1.00 53.54 C ATOM 0 H THR A 51 0.456 18.115 -1.375 1.00 1.15 H new ATOM 0 HA THR A 51 -2.065 17.653 -2.786 1.00 55.44 H new ATOM 0 HB THR A 51 -0.111 18.430 -4.090 1.00 34.41 H new ATOM 0 HG1 THR A 51 -0.147 16.707 -5.689 1.00 51.24 H new ATOM 0 HG21 THR A 51 1.860 16.970 -4.422 1.00 53.54 H new ATOM 0 HG22 THR A 51 1.689 17.477 -2.725 1.00 53.54 H new ATOM 0 HG23 THR A 51 1.212 15.834 -3.215 1.00 53.54 H new ATOM 802 N SER A 52 -1.703 14.971 -3.114 1.00 4.42 N ATOM 803 CA SER A 52 -1.921 13.533 -2.889 1.00 34.22 C ATOM 804 C SER A 52 -1.738 12.739 -4.191 1.00 33.53 C ATOM 805 O SER A 52 -1.940 13.269 -5.283 1.00 20.31 O ATOM 806 CB SER A 52 -3.333 13.286 -2.337 1.00 63.32 C ATOM 807 OG SER A 52 -4.328 13.754 -3.239 1.00 25.51 O ATOM 0 H SER A 52 -1.957 15.286 -4.050 1.00 4.42 H new ATOM 0 HA SER A 52 -1.182 13.194 -2.163 1.00 34.22 H new ATOM 0 HB2 SER A 52 -3.474 12.220 -2.157 1.00 63.32 H new ATOM 0 HB3 SER A 52 -3.444 13.789 -1.376 1.00 63.32 H new ATOM 0 HG SER A 52 -5.217 13.583 -2.863 1.00 25.51 H new ATOM 813 N VAL A 53 -1.356 11.467 -4.074 1.00 53.14 N ATOM 814 CA VAL A 53 -1.166 10.600 -5.248 1.00 12.42 C ATOM 815 C VAL A 53 -1.920 9.265 -5.083 1.00 52.13 C ATOM 816 O VAL A 53 -1.919 8.671 -4.003 1.00 3.21 O ATOM 817 CB VAL A 53 0.341 10.334 -5.505 1.00 31.00 C ATOM 818 CG1 VAL A 53 0.995 9.660 -4.302 1.00 74.40 C ATOM 819 CG2 VAL A 53 0.542 9.509 -6.776 1.00 31.51 C ATOM 0 H VAL A 53 -1.171 11.010 -3.181 1.00 53.14 H new ATOM 0 HA VAL A 53 -1.578 11.123 -6.111 1.00 12.42 H new ATOM 0 HB VAL A 53 0.830 11.297 -5.651 1.00 31.00 H new ATOM 0 HG11 VAL A 53 2.050 9.486 -4.512 1.00 74.40 H new ATOM 0 HG12 VAL A 53 0.900 10.304 -3.428 1.00 74.40 H new ATOM 0 HG13 VAL A 53 0.502 8.708 -4.106 1.00 74.40 H new ATOM 0 HG21 VAL A 53 1.607 9.337 -6.933 1.00 31.51 H new ATOM 0 HG22 VAL A 53 0.031 8.552 -6.673 1.00 31.51 H new ATOM 0 HG23 VAL A 53 0.132 10.049 -7.629 1.00 31.51 H new ATOM 829 N SER A 54 -2.572 8.803 -6.155 1.00 4.12 N ATOM 830 CA SER A 54 -3.415 7.595 -6.095 1.00 32.35 C ATOM 831 C SER A 54 -2.950 6.490 -7.057 1.00 61.42 C ATOM 832 O SER A 54 -2.199 6.738 -8.005 1.00 2.31 O ATOM 833 CB SER A 54 -4.877 7.952 -6.397 1.00 13.54 C ATOM 834 OG SER A 54 -5.034 8.498 -7.699 1.00 52.14 O ATOM 0 H SER A 54 -2.535 9.243 -7.074 1.00 4.12 H new ATOM 0 HA SER A 54 -3.323 7.204 -5.082 1.00 32.35 H new ATOM 0 HB2 SER A 54 -5.495 7.059 -6.301 1.00 13.54 H new ATOM 0 HB3 SER A 54 -5.235 8.669 -5.658 1.00 13.54 H new ATOM 0 HG SER A 54 -5.978 8.710 -7.853 1.00 52.14 H new ATOM 840 N TYR A 55 -3.414 5.265 -6.797 1.00 2.45 N ATOM 841 CA TYR A 55 -3.086 4.091 -7.621 1.00 51.42 C ATOM 842 C TYR A 55 -4.056 2.926 -7.346 1.00 54.23 C ATOM 843 O TYR A 55 -4.132 2.421 -6.223 1.00 73.20 O ATOM 844 CB TYR A 55 -1.638 3.645 -7.349 1.00 4.24 C ATOM 845 CG TYR A 55 -1.236 2.350 -8.043 1.00 25.13 C ATOM 846 CD1 TYR A 55 -0.887 2.334 -9.391 1.00 42.42 C ATOM 847 CD2 TYR A 55 -1.200 1.146 -7.345 1.00 71.15 C ATOM 848 CE1 TYR A 55 -0.519 1.157 -10.018 1.00 1.01 C ATOM 849 CE2 TYR A 55 -0.833 -0.030 -7.966 1.00 34.13 C ATOM 850 CZ TYR A 55 -0.495 -0.021 -9.301 1.00 50.12 C ATOM 851 OH TYR A 55 -0.129 -1.196 -9.922 1.00 30.23 O ATOM 0 H TYR A 55 -4.028 5.056 -6.010 1.00 2.45 H new ATOM 0 HA TYR A 55 -3.187 4.375 -8.669 1.00 51.42 H new ATOM 0 HB2 TYR A 55 -0.961 4.438 -7.667 1.00 4.24 H new ATOM 0 HB3 TYR A 55 -1.504 3.523 -6.274 1.00 4.24 H new ATOM 0 HD1 TYR A 55 -0.904 3.255 -9.956 1.00 42.42 H new ATOM 0 HD2 TYR A 55 -1.464 1.132 -6.298 1.00 71.15 H new ATOM 0 HE1 TYR A 55 -0.252 1.161 -11.064 1.00 1.01 H new ATOM 0 HE2 TYR A 55 -0.811 -0.954 -7.407 1.00 34.13 H new ATOM 0 HH TYR A 55 0.504 -1.001 -10.644 1.00 30.23 H new ATOM 861 N LYS A 56 -4.803 2.510 -8.371 1.00 2.51 N ATOM 862 CA LYS A 56 -5.705 1.356 -8.254 1.00 23.32 C ATOM 863 C LYS A 56 -4.980 0.038 -8.582 1.00 42.25 C ATOM 864 O LYS A 56 -4.035 0.014 -9.374 1.00 43.10 O ATOM 865 CB LYS A 56 -6.920 1.521 -9.179 1.00 3.52 C ATOM 866 CG LYS A 56 -7.903 0.356 -9.102 1.00 15.50 C ATOM 867 CD LYS A 56 -9.045 0.490 -10.102 1.00 65.41 C ATOM 868 CE LYS A 56 -9.943 -0.741 -10.084 1.00 4.45 C ATOM 869 NZ LYS A 56 -9.190 -1.984 -10.410 1.00 73.21 N ATOM 0 H LYS A 56 -4.803 2.952 -9.290 1.00 2.51 H new ATOM 0 HA LYS A 56 -6.045 1.314 -7.219 1.00 23.32 H new ATOM 0 HB2 LYS A 56 -7.441 2.444 -8.922 1.00 3.52 H new ATOM 0 HB3 LYS A 56 -6.573 1.627 -10.207 1.00 3.52 H new ATOM 0 HG2 LYS A 56 -7.371 -0.577 -9.286 1.00 15.50 H new ATOM 0 HG3 LYS A 56 -8.312 0.296 -8.094 1.00 15.50 H new ATOM 0 HD2 LYS A 56 -9.634 1.376 -9.868 1.00 65.41 H new ATOM 0 HD3 LYS A 56 -8.639 0.633 -11.104 1.00 65.41 H new ATOM 0 HE2 LYS A 56 -10.401 -0.842 -9.100 1.00 4.45 H new ATOM 0 HE3 LYS A 56 -10.754 -0.609 -10.801 1.00 4.45 H new ATOM 0 HZ1 LYS A 56 -9.837 -2.798 -10.387 1.00 73.21 H new ATOM 0 HZ2 LYS A 56 -8.774 -1.899 -11.359 1.00 73.21 H new ATOM 0 HZ3 LYS A 56 -8.432 -2.124 -9.711 1.00 73.21 H new ATOM 883 N TYR A 57 -5.443 -1.057 -7.979 1.00 53.01 N ATOM 884 CA TYR A 57 -4.842 -2.384 -8.184 1.00 1.23 C ATOM 885 C TYR A 57 -5.624 -3.210 -9.226 1.00 13.25 C ATOM 886 O TYR A 57 -6.739 -2.851 -9.615 1.00 24.11 O ATOM 887 CB TYR A 57 -4.793 -3.137 -6.848 1.00 21.11 C ATOM 888 CG TYR A 57 -4.060 -2.383 -5.752 1.00 34.41 C ATOM 889 CD1 TYR A 57 -2.674 -2.420 -5.660 1.00 52.23 C ATOM 890 CD2 TYR A 57 -4.757 -1.629 -4.813 1.00 20.03 C ATOM 891 CE1 TYR A 57 -2.005 -1.731 -4.669 1.00 74.35 C ATOM 892 CE2 TYR A 57 -4.094 -0.939 -3.817 1.00 53.12 C ATOM 893 CZ TYR A 57 -2.717 -0.993 -3.752 1.00 73.45 C ATOM 894 OH TYR A 57 -2.049 -0.303 -2.769 1.00 51.10 O ATOM 0 H TYR A 57 -6.238 -1.055 -7.340 1.00 53.01 H new ATOM 0 HA TYR A 57 -3.831 -2.242 -8.567 1.00 1.23 H new ATOM 0 HB2 TYR A 57 -5.812 -3.342 -6.518 1.00 21.11 H new ATOM 0 HB3 TYR A 57 -4.308 -4.101 -7.001 1.00 21.11 H new ATOM 0 HD1 TYR A 57 -2.110 -2.998 -6.377 1.00 52.23 H new ATOM 0 HD2 TYR A 57 -5.835 -1.582 -4.864 1.00 20.03 H new ATOM 0 HE1 TYR A 57 -0.927 -1.771 -4.614 1.00 74.35 H new ATOM 0 HE2 TYR A 57 -4.650 -0.361 -3.094 1.00 53.12 H new ATOM 0 HH TYR A 57 -1.219 -0.774 -2.545 1.00 51.10 H new ATOM 904 N THR A 58 -5.030 -4.328 -9.663 1.00 1.25 N ATOM 905 CA THR A 58 -5.650 -5.213 -10.670 1.00 4.53 C ATOM 906 C THR A 58 -5.638 -6.683 -10.221 1.00 4.24 C ATOM 907 O THR A 58 -4.608 -7.207 -9.789 1.00 32.45 O ATOM 908 CB THR A 58 -4.953 -5.102 -12.052 1.00 54.12 C ATOM 909 OG1 THR A 58 -5.503 -6.066 -12.970 1.00 31.12 O ATOM 910 CG2 THR A 58 -3.444 -5.308 -11.937 1.00 50.22 C ATOM 0 H THR A 58 -4.118 -4.646 -9.336 1.00 1.25 H new ATOM 0 HA THR A 58 -6.682 -4.877 -10.768 1.00 4.53 H new ATOM 0 HB THR A 58 -5.133 -4.096 -12.430 1.00 54.12 H new ATOM 0 HG1 THR A 58 -5.055 -5.984 -13.838 1.00 31.12 H new ATOM 0 HG21 THR A 58 -2.989 -5.223 -12.924 1.00 50.22 H new ATOM 0 HG22 THR A 58 -3.023 -4.550 -11.277 1.00 50.22 H new ATOM 0 HG23 THR A 58 -3.242 -6.298 -11.528 1.00 50.22 H new ATOM 918 N SER A 59 -6.787 -7.352 -10.347 1.00 4.13 N ATOM 919 CA SER A 59 -6.949 -8.729 -9.851 1.00 45.35 C ATOM 920 C SER A 59 -6.193 -9.754 -10.714 1.00 53.45 C ATOM 921 O SER A 59 -6.748 -10.321 -11.656 1.00 44.54 O ATOM 922 CB SER A 59 -8.443 -9.108 -9.782 1.00 2.41 C ATOM 923 OG SER A 59 -8.633 -10.415 -9.254 1.00 23.34 O ATOM 0 H SER A 59 -7.622 -6.966 -10.788 1.00 4.13 H new ATOM 0 HA SER A 59 -6.518 -8.756 -8.850 1.00 45.35 H new ATOM 0 HB2 SER A 59 -8.973 -8.385 -9.162 1.00 2.41 H new ATOM 0 HB3 SER A 59 -8.879 -9.052 -10.780 1.00 2.41 H new ATOM 0 HG SER A 59 -9.434 -10.816 -9.652 1.00 23.34 H new ATOM 929 N ARG A 60 -4.913 -9.966 -10.404 1.00 44.13 N ATOM 930 CA ARG A 60 -4.121 -11.016 -11.067 1.00 71.14 C ATOM 931 C ARG A 60 -3.364 -11.885 -10.044 1.00 73.11 C ATOM 932 O ARG A 60 -2.567 -12.748 -10.414 1.00 52.24 O ATOM 933 CB ARG A 60 -3.141 -10.399 -12.078 1.00 61.13 C ATOM 934 CG ARG A 60 -2.114 -9.449 -11.468 1.00 54.44 C ATOM 935 CD ARG A 60 -1.155 -8.904 -12.527 1.00 60.31 C ATOM 936 NE ARG A 60 -0.438 -9.974 -13.225 1.00 32.21 N ATOM 937 CZ ARG A 60 0.554 -9.784 -14.055 1.00 64.32 C ATOM 938 NH1 ARG A 60 0.976 -8.590 -14.334 1.00 55.21 N ATOM 939 NH2 ARG A 60 1.127 -10.796 -14.613 1.00 11.31 N ATOM 0 H ARG A 60 -4.401 -9.431 -9.703 1.00 44.13 H new ATOM 0 HA ARG A 60 -4.815 -11.663 -11.603 1.00 71.14 H new ATOM 0 HB2 ARG A 60 -2.613 -11.204 -12.590 1.00 61.13 H new ATOM 0 HB3 ARG A 60 -3.711 -9.860 -12.834 1.00 61.13 H new ATOM 0 HG2 ARG A 60 -2.628 -8.621 -10.980 1.00 54.44 H new ATOM 0 HG3 ARG A 60 -1.547 -9.971 -10.697 1.00 54.44 H new ATOM 0 HD2 ARG A 60 -1.714 -8.311 -13.251 1.00 60.31 H new ATOM 0 HD3 ARG A 60 -0.436 -8.235 -12.054 1.00 60.31 H new ATOM 0 HE ARG A 60 -0.734 -10.935 -13.051 1.00 32.21 H new ATOM 0 HH11 ARG A 60 0.533 -7.779 -13.903 1.00 55.21 H new ATOM 0 HH12 ARG A 60 1.751 -8.462 -14.984 1.00 55.21 H new ATOM 0 HH21 ARG A 60 0.806 -11.742 -14.406 1.00 11.31 H new ATOM 0 HH22 ARG A 60 1.901 -10.650 -15.261 1.00 11.31 H new ATOM 953 N TYR A 61 -3.628 -11.651 -8.760 1.00 43.12 N ATOM 954 CA TYR A 61 -3.023 -12.435 -7.675 1.00 32.43 C ATOM 955 C TYR A 61 -3.884 -12.351 -6.403 1.00 33.24 C ATOM 956 O TYR A 61 -4.639 -11.390 -6.214 1.00 10.34 O ATOM 957 CB TYR A 61 -1.587 -11.958 -7.390 1.00 64.45 C ATOM 958 CG TYR A 61 -1.488 -10.529 -6.880 1.00 12.24 C ATOM 959 CD1 TYR A 61 -1.622 -9.449 -7.746 1.00 54.14 C ATOM 960 CD2 TYR A 61 -1.263 -10.263 -5.533 1.00 24.20 C ATOM 961 CE1 TYR A 61 -1.534 -8.150 -7.285 1.00 33.11 C ATOM 962 CE2 TYR A 61 -1.173 -8.967 -5.065 1.00 22.31 C ATOM 963 CZ TYR A 61 -1.312 -7.915 -5.945 1.00 45.21 C ATOM 964 OH TYR A 61 -1.225 -6.620 -5.482 1.00 43.12 O ATOM 0 H TYR A 61 -4.262 -10.919 -8.440 1.00 43.12 H new ATOM 0 HA TYR A 61 -2.978 -13.477 -7.992 1.00 32.43 H new ATOM 0 HB2 TYR A 61 -1.135 -12.625 -6.656 1.00 64.45 H new ATOM 0 HB3 TYR A 61 -1.000 -12.046 -8.304 1.00 64.45 H new ATOM 0 HD1 TYR A 61 -1.798 -9.629 -8.796 1.00 54.14 H new ATOM 0 HD2 TYR A 61 -1.157 -11.085 -4.841 1.00 24.20 H new ATOM 0 HE1 TYR A 61 -1.639 -7.322 -7.971 1.00 33.11 H new ATOM 0 HE2 TYR A 61 -0.995 -8.779 -4.017 1.00 22.31 H new ATOM 0 HH TYR A 61 -1.539 -6.582 -4.554 1.00 43.12 H new ATOM 974 N VAL A 62 -3.773 -13.359 -5.541 1.00 21.04 N ATOM 975 CA VAL A 62 -4.581 -13.428 -4.316 1.00 52.31 C ATOM 976 C VAL A 62 -3.718 -13.315 -3.048 1.00 63.14 C ATOM 977 O VAL A 62 -2.711 -14.007 -2.897 1.00 24.22 O ATOM 978 CB VAL A 62 -5.411 -14.739 -4.259 1.00 61.23 C ATOM 979 CG1 VAL A 62 -6.453 -14.766 -5.373 1.00 12.10 C ATOM 980 CG2 VAL A 62 -4.506 -15.970 -4.338 1.00 23.10 C ATOM 0 H VAL A 62 -3.132 -14.143 -5.664 1.00 21.04 H new ATOM 0 HA VAL A 62 -5.260 -12.576 -4.348 1.00 52.31 H new ATOM 0 HB VAL A 62 -5.930 -14.765 -3.301 1.00 61.23 H new ATOM 0 HG11 VAL A 62 -7.024 -15.693 -5.315 1.00 12.10 H new ATOM 0 HG12 VAL A 62 -7.127 -13.917 -5.261 1.00 12.10 H new ATOM 0 HG13 VAL A 62 -5.953 -14.707 -6.340 1.00 12.10 H new ATOM 0 HG21 VAL A 62 -5.115 -16.873 -4.296 1.00 23.10 H new ATOM 0 HG22 VAL A 62 -3.948 -15.952 -5.274 1.00 23.10 H new ATOM 0 HG23 VAL A 62 -3.809 -15.963 -3.500 1.00 23.10 H new ATOM 990 N LEU A 63 -4.116 -12.432 -2.139 1.00 65.53 N ATOM 991 CA LEU A 63 -3.399 -12.251 -0.872 1.00 24.34 C ATOM 992 C LEU A 63 -3.844 -13.292 0.163 1.00 3.03 C ATOM 993 O LEU A 63 -4.998 -13.298 0.592 1.00 54.52 O ATOM 994 CB LEU A 63 -3.624 -10.834 -0.315 1.00 31.01 C ATOM 995 CG LEU A 63 -2.964 -9.685 -1.101 1.00 71.12 C ATOM 996 CD1 LEU A 63 -1.458 -9.909 -1.227 1.00 22.23 C ATOM 997 CD2 LEU A 63 -3.613 -9.517 -2.475 1.00 71.24 C ATOM 0 H LEU A 63 -4.930 -11.828 -2.251 1.00 65.53 H new ATOM 0 HA LEU A 63 -2.336 -12.387 -1.071 1.00 24.34 H new ATOM 0 HB2 LEU A 63 -4.697 -10.648 -0.272 1.00 31.01 H new ATOM 0 HB3 LEU A 63 -3.254 -10.805 0.710 1.00 31.01 H new ATOM 0 HG LEU A 63 -3.121 -8.761 -0.545 1.00 71.12 H new ATOM 0 HD11 LEU A 63 -1.013 -9.085 -1.786 1.00 22.23 H new ATOM 0 HD12 LEU A 63 -1.013 -9.956 -0.233 1.00 22.23 H new ATOM 0 HD13 LEU A 63 -1.272 -10.846 -1.752 1.00 22.23 H new ATOM 0 HD21 LEU A 63 -3.128 -8.699 -3.009 1.00 71.24 H new ATOM 0 HD22 LEU A 63 -3.502 -10.439 -3.045 1.00 71.24 H new ATOM 0 HD23 LEU A 63 -4.672 -9.292 -2.352 1.00 71.24 H new ATOM 1009 N LYS A 64 -2.924 -14.172 0.549 1.00 24.20 N ATOM 1010 CA LYS A 64 -3.199 -15.203 1.561 1.00 32.42 C ATOM 1011 C LYS A 64 -3.452 -14.589 2.952 1.00 42.22 C ATOM 1012 O LYS A 64 -3.206 -13.401 3.178 1.00 25.01 O ATOM 1013 CB LYS A 64 -2.020 -16.187 1.637 1.00 1.44 C ATOM 1014 CG LYS A 64 -1.833 -17.033 0.378 1.00 1.14 C ATOM 1015 CD LYS A 64 -0.631 -17.972 0.488 1.00 11.13 C ATOM 1016 CE LYS A 64 0.696 -17.222 0.389 1.00 5.13 C ATOM 1017 NZ LYS A 64 0.915 -16.657 -0.971 1.00 52.02 N ATOM 0 H LYS A 64 -1.975 -14.196 0.177 1.00 24.20 H new ATOM 0 HA LYS A 64 -4.104 -15.730 1.259 1.00 32.42 H new ATOM 0 HB2 LYS A 64 -1.104 -15.627 1.825 1.00 1.44 H new ATOM 0 HB3 LYS A 64 -2.168 -16.850 2.489 1.00 1.44 H new ATOM 0 HG2 LYS A 64 -2.735 -17.619 0.198 1.00 1.14 H new ATOM 0 HG3 LYS A 64 -1.702 -16.377 -0.483 1.00 1.14 H new ATOM 0 HD2 LYS A 64 -0.675 -18.506 1.437 1.00 11.13 H new ATOM 0 HD3 LYS A 64 -0.683 -18.721 -0.302 1.00 11.13 H new ATOM 0 HE2 LYS A 64 0.714 -16.417 1.124 1.00 5.13 H new ATOM 0 HE3 LYS A 64 1.514 -17.898 0.637 1.00 5.13 H new ATOM 0 HZ1 LYS A 64 1.337 -15.710 -0.890 1.00 52.02 H new ATOM 0 HZ2 LYS A 64 1.556 -17.277 -1.505 1.00 52.02 H new ATOM 0 HZ3 LYS A 64 0.005 -16.589 -1.469 1.00 52.02 H new ATOM 1031 N ALA A 65 -3.938 -15.410 3.881 1.00 11.45 N ATOM 1032 CA ALA A 65 -4.187 -14.968 5.259 1.00 65.00 C ATOM 1033 C ALA A 65 -2.882 -14.545 5.960 1.00 20.24 C ATOM 1034 O ALA A 65 -2.049 -15.384 6.305 1.00 42.23 O ATOM 1035 CB ALA A 65 -4.880 -16.075 6.048 1.00 53.04 C ATOM 0 H ALA A 65 -4.169 -16.388 3.707 1.00 11.45 H new ATOM 0 HA ALA A 65 -4.839 -14.096 5.220 1.00 65.00 H new ATOM 0 HB1 ALA A 65 -5.060 -15.737 7.068 1.00 53.04 H new ATOM 0 HB2 ALA A 65 -5.831 -16.319 5.574 1.00 53.04 H new ATOM 0 HB3 ALA A 65 -4.245 -16.961 6.066 1.00 53.04 H new ATOM 1041 N GLY A 66 -2.710 -13.239 6.155 1.00 24.40 N ATOM 1042 CA GLY A 66 -1.495 -12.715 6.779 1.00 12.33 C ATOM 1043 C GLY A 66 -0.403 -12.371 5.768 1.00 14.14 C ATOM 1044 O GLY A 66 0.718 -12.020 6.147 1.00 30.22 O ATOM 0 H GLY A 66 -3.392 -12.527 5.892 1.00 24.40 H new ATOM 0 HA2 GLY A 66 -1.744 -11.823 7.353 1.00 12.33 H new ATOM 0 HA3 GLY A 66 -1.110 -13.451 7.485 1.00 12.33 H new ATOM 1048 N GLN A 67 -0.727 -12.458 4.480 1.00 62.52 N ATOM 1049 CA GLN A 67 0.248 -12.192 3.415 1.00 72.02 C ATOM 1050 C GLN A 67 0.432 -10.683 3.183 1.00 32.44 C ATOM 1051 O GLN A 67 -0.542 -9.924 3.151 1.00 30.31 O ATOM 1052 CB GLN A 67 -0.204 -12.862 2.108 1.00 74.04 C ATOM 1053 CG GLN A 67 0.821 -12.797 0.973 1.00 74.32 C ATOM 1054 CD GLN A 67 1.912 -13.867 1.053 1.00 22.33 C ATOM 1055 OE1 GLN A 67 2.448 -14.292 0.037 1.00 41.24 O ATOM 1056 NE2 GLN A 67 2.241 -14.329 2.243 1.00 5.12 N ATOM 0 H GLN A 67 -1.657 -12.710 4.144 1.00 62.52 H new ATOM 0 HA GLN A 67 1.205 -12.608 3.730 1.00 72.02 H new ATOM 0 HB2 GLN A 67 -0.436 -13.907 2.312 1.00 74.04 H new ATOM 0 HB3 GLN A 67 -1.128 -12.390 1.773 1.00 74.04 H new ATOM 0 HG2 GLN A 67 0.299 -12.896 0.021 1.00 74.32 H new ATOM 0 HG3 GLN A 67 1.291 -11.813 0.978 1.00 74.32 H new ATOM 0 HE21 GLN A 67 1.783 -13.962 3.077 1.00 5.12 H new ATOM 0 HE22 GLN A 67 2.954 -15.054 2.330 1.00 5.12 H new ATOM 1065 N THR A 68 1.683 -10.255 3.013 1.00 15.34 N ATOM 1066 CA THR A 68 1.995 -8.843 2.748 1.00 70.42 C ATOM 1067 C THR A 68 2.335 -8.604 1.270 1.00 51.02 C ATOM 1068 O THR A 68 3.022 -9.408 0.635 1.00 33.42 O ATOM 1069 CB THR A 68 3.189 -8.338 3.601 1.00 11.24 C ATOM 1070 OG1 THR A 68 4.399 -9.018 3.226 1.00 11.40 O ATOM 1071 CG2 THR A 68 2.929 -8.542 5.088 1.00 70.22 C ATOM 0 H THR A 68 2.500 -10.864 3.053 1.00 15.34 H new ATOM 0 HA THR A 68 1.095 -8.289 3.017 1.00 70.42 H new ATOM 0 HB THR A 68 3.302 -7.271 3.411 1.00 11.24 H new ATOM 0 HG1 THR A 68 5.143 -8.687 3.772 1.00 11.40 H new ATOM 0 HG21 THR A 68 3.783 -8.179 5.660 1.00 70.22 H new ATOM 0 HG22 THR A 68 2.035 -7.990 5.380 1.00 70.22 H new ATOM 0 HG23 THR A 68 2.782 -9.603 5.290 1.00 70.22 H new ATOM 1079 N VAL A 69 1.850 -7.494 0.723 1.00 11.03 N ATOM 1080 CA VAL A 69 2.216 -7.078 -0.632 1.00 62.03 C ATOM 1081 C VAL A 69 3.079 -5.807 -0.581 1.00 52.14 C ATOM 1082 O VAL A 69 2.686 -4.790 -0.001 1.00 1.24 O ATOM 1083 CB VAL A 69 0.970 -6.855 -1.532 1.00 5.31 C ATOM 1084 CG1 VAL A 69 0.023 -5.822 -0.932 1.00 54.54 C ATOM 1085 CG2 VAL A 69 1.385 -6.455 -2.949 1.00 74.34 C ATOM 0 H VAL A 69 1.202 -6.864 1.195 1.00 11.03 H new ATOM 0 HA VAL A 69 2.794 -7.887 -1.079 1.00 62.03 H new ATOM 0 HB VAL A 69 0.432 -7.801 -1.588 1.00 5.31 H new ATOM 0 HG11 VAL A 69 -0.837 -5.692 -1.589 1.00 54.54 H new ATOM 0 HG12 VAL A 69 -0.316 -6.164 0.046 1.00 54.54 H new ATOM 0 HG13 VAL A 69 0.544 -4.871 -0.824 1.00 54.54 H new ATOM 0 HG21 VAL A 69 0.495 -6.305 -3.560 1.00 74.34 H new ATOM 0 HG22 VAL A 69 1.960 -5.530 -2.912 1.00 74.34 H new ATOM 0 HG23 VAL A 69 1.996 -7.245 -3.386 1.00 74.34 H new ATOM 1095 N THR A 70 4.266 -5.881 -1.171 1.00 42.42 N ATOM 1096 CA THR A 70 5.238 -4.785 -1.097 1.00 11.31 C ATOM 1097 C THR A 70 5.141 -3.865 -2.320 1.00 43.01 C ATOM 1098 O THR A 70 5.624 -4.197 -3.405 1.00 62.53 O ATOM 1099 CB THR A 70 6.682 -5.332 -0.979 1.00 13.13 C ATOM 1100 OG1 THR A 70 6.771 -6.236 0.134 1.00 31.04 O ATOM 1101 CG2 THR A 70 7.693 -4.207 -0.788 1.00 14.42 C ATOM 0 H THR A 70 4.584 -6.688 -1.708 1.00 42.42 H new ATOM 0 HA THR A 70 4.999 -4.206 -0.205 1.00 11.31 H new ATOM 0 HB THR A 70 6.916 -5.853 -1.908 1.00 13.13 H new ATOM 0 HG1 THR A 70 7.686 -6.581 0.203 1.00 31.04 H new ATOM 0 HG21 THR A 70 8.695 -4.628 -0.709 1.00 14.42 H new ATOM 0 HG22 THR A 70 7.650 -3.530 -1.641 1.00 14.42 H new ATOM 0 HG23 THR A 70 7.458 -3.657 0.123 1.00 14.42 H new ATOM 1109 N ILE A 71 4.507 -2.713 -2.141 1.00 74.10 N ATOM 1110 CA ILE A 71 4.339 -1.744 -3.230 1.00 22.24 C ATOM 1111 C ILE A 71 5.580 -0.845 -3.368 1.00 70.42 C ATOM 1112 O ILE A 71 5.742 0.129 -2.629 1.00 63.32 O ATOM 1113 CB ILE A 71 3.081 -0.862 -3.007 1.00 5.42 C ATOM 1114 CG1 ILE A 71 1.835 -1.740 -2.775 1.00 41.31 C ATOM 1115 CG2 ILE A 71 2.864 0.083 -4.192 1.00 15.12 C ATOM 1116 CD1 ILE A 71 1.520 -2.687 -3.917 1.00 53.03 C ATOM 0 H ILE A 71 4.098 -2.422 -1.253 1.00 74.10 H new ATOM 0 HA ILE A 71 4.211 -2.313 -4.151 1.00 22.24 H new ATOM 0 HB ILE A 71 3.243 -0.257 -2.115 1.00 5.42 H new ATOM 0 HG12 ILE A 71 1.979 -2.322 -1.865 1.00 41.31 H new ATOM 0 HG13 ILE A 71 0.974 -1.093 -2.607 1.00 41.31 H new ATOM 0 HG21 ILE A 71 1.977 0.691 -4.014 1.00 15.12 H new ATOM 0 HG22 ILE A 71 3.733 0.732 -4.304 1.00 15.12 H new ATOM 0 HG23 ILE A 71 2.727 -0.501 -5.102 1.00 15.12 H new ATOM 0 HD11 ILE A 71 0.630 -3.267 -3.674 1.00 53.03 H new ATOM 0 HD12 ILE A 71 1.342 -2.113 -4.827 1.00 53.03 H new ATOM 0 HD13 ILE A 71 2.362 -3.362 -4.073 1.00 53.03 H new ATOM 1128 N TRP A 72 6.466 -1.194 -4.300 1.00 60.43 N ATOM 1129 CA TRP A 72 7.691 -0.415 -4.547 1.00 32.25 C ATOM 1130 C TRP A 72 7.405 0.838 -5.388 1.00 54.12 C ATOM 1131 O TRP A 72 6.387 0.923 -6.067 1.00 43.55 O ATOM 1132 CB TRP A 72 8.742 -1.276 -5.268 1.00 23.51 C ATOM 1133 CG TRP A 72 9.258 -2.428 -4.455 1.00 64.30 C ATOM 1134 CD1 TRP A 72 8.756 -3.698 -4.412 1.00 72.24 C ATOM 1135 CD2 TRP A 72 10.388 -2.413 -3.574 1.00 2.40 C ATOM 1136 NE1 TRP A 72 9.503 -4.470 -3.556 1.00 2.52 N ATOM 1137 CE2 TRP A 72 10.508 -3.705 -3.029 1.00 34.12 C ATOM 1138 CE3 TRP A 72 11.307 -1.432 -3.190 1.00 25.22 C ATOM 1139 CZ2 TRP A 72 11.511 -4.042 -2.125 1.00 2.02 C ATOM 1140 CZ3 TRP A 72 12.305 -1.769 -2.292 1.00 11.23 C ATOM 1141 CH2 TRP A 72 12.398 -3.064 -1.767 1.00 24.04 C ATOM 0 H TRP A 72 6.363 -2.012 -4.901 1.00 60.43 H new ATOM 0 HA TRP A 72 8.074 -0.102 -3.576 1.00 32.25 H new ATOM 0 HB2 TRP A 72 8.308 -1.662 -6.190 1.00 23.51 H new ATOM 0 HB3 TRP A 72 9.582 -0.642 -5.552 1.00 23.51 H new ATOM 0 HD1 TRP A 72 7.898 -4.044 -4.969 1.00 72.24 H new ATOM 0 HE1 TRP A 72 9.336 -5.454 -3.347 1.00 2.52 H new ATOM 0 HE3 TRP A 72 11.240 -0.430 -3.587 1.00 25.22 H new ATOM 0 HZ2 TRP A 72 11.586 -5.040 -1.720 1.00 2.02 H new ATOM 0 HZ3 TRP A 72 13.024 -1.021 -1.991 1.00 11.23 H new ATOM 0 HH2 TRP A 72 13.186 -3.295 -1.065 1.00 24.04 H new ATOM 1152 N ALA A 73 8.318 1.804 -5.339 1.00 21.43 N ATOM 1153 CA ALA A 73 8.223 3.003 -6.176 1.00 23.54 C ATOM 1154 C ALA A 73 8.746 2.732 -7.599 1.00 44.22 C ATOM 1155 O ALA A 73 9.414 1.726 -7.846 1.00 33.31 O ATOM 1156 CB ALA A 73 8.991 4.154 -5.531 1.00 75.10 C ATOM 0 H ALA A 73 9.135 1.783 -4.728 1.00 21.43 H new ATOM 0 HA ALA A 73 7.172 3.281 -6.257 1.00 23.54 H new ATOM 0 HB1 ALA A 73 8.914 5.040 -6.161 1.00 75.10 H new ATOM 0 HB2 ALA A 73 8.568 4.368 -4.549 1.00 75.10 H new ATOM 0 HB3 ALA A 73 10.039 3.876 -5.422 1.00 75.10 H new ATOM 1162 N ALA A 74 8.453 3.638 -8.531 1.00 50.45 N ATOM 1163 CA ALA A 74 8.885 3.489 -9.931 1.00 62.24 C ATOM 1164 C ALA A 74 10.407 3.293 -10.061 1.00 74.33 C ATOM 1165 O ALA A 74 10.882 2.665 -11.012 1.00 41.23 O ATOM 1166 CB ALA A 74 8.439 4.695 -10.746 1.00 2.15 C ATOM 0 H ALA A 74 7.918 4.486 -8.347 1.00 50.45 H new ATOM 0 HA ALA A 74 8.412 2.587 -10.320 1.00 62.24 H new ATOM 0 HB1 ALA A 74 8.763 4.576 -11.780 1.00 2.15 H new ATOM 0 HB2 ALA A 74 7.352 4.775 -10.713 1.00 2.15 H new ATOM 0 HB3 ALA A 74 8.882 5.600 -10.329 1.00 2.15 H new ATOM 1172 N ASN A 75 11.167 3.821 -9.102 1.00 3.35 N ATOM 1173 CA ASN A 75 12.633 3.704 -9.116 1.00 71.20 C ATOM 1174 C ASN A 75 13.115 2.421 -8.411 1.00 71.33 C ATOM 1175 O ASN A 75 14.249 2.355 -7.936 1.00 74.20 O ATOM 1176 CB ASN A 75 13.265 4.933 -8.449 1.00 55.35 C ATOM 1177 CG ASN A 75 12.803 6.233 -9.082 1.00 72.31 C ATOM 1178 OD1 ASN A 75 11.859 6.864 -8.616 1.00 40.31 O ATOM 1179 ND2 ASN A 75 13.452 6.635 -10.156 1.00 1.54 N ATOM 0 H ASN A 75 10.796 4.335 -8.303 1.00 3.35 H new ATOM 0 HA ASN A 75 12.948 3.649 -10.158 1.00 71.20 H new ATOM 0 HB2 ASN A 75 13.013 4.938 -7.389 1.00 55.35 H new ATOM 0 HB3 ASN A 75 14.351 4.863 -8.518 1.00 55.35 H new ATOM 0 HD21 ASN A 75 13.174 7.496 -10.627 1.00 1.54 H new ATOM 0 HD22 ASN A 75 14.232 6.085 -10.516 1.00 1.54 H new ATOM 1186 N ALA A 76 12.259 1.400 -8.372 1.00 73.22 N ATOM 1187 CA ALA A 76 12.578 0.130 -7.706 1.00 1.33 C ATOM 1188 C ALA A 76 13.884 -0.506 -8.225 1.00 62.31 C ATOM 1189 O ALA A 76 14.616 -1.137 -7.463 1.00 2.01 O ATOM 1190 CB ALA A 76 11.419 -0.846 -7.873 1.00 62.04 C ATOM 0 H ALA A 76 11.332 1.425 -8.796 1.00 73.22 H new ATOM 0 HA ALA A 76 12.732 0.351 -6.650 1.00 1.33 H new ATOM 0 HB1 ALA A 76 11.661 -1.786 -7.377 1.00 62.04 H new ATOM 0 HB2 ALA A 76 10.519 -0.422 -7.428 1.00 62.04 H new ATOM 0 HB3 ALA A 76 11.247 -1.029 -8.934 1.00 62.04 H new ATOM 1196 N GLY A 77 14.162 -0.352 -9.521 1.00 52.24 N ATOM 1197 CA GLY A 77 15.388 -0.905 -10.105 1.00 14.40 C ATOM 1198 C GLY A 77 15.391 -2.432 -10.198 1.00 34.24 C ATOM 1199 O GLY A 77 16.446 -3.053 -10.340 1.00 42.04 O ATOM 0 H GLY A 77 13.563 0.145 -10.181 1.00 52.24 H new ATOM 0 HA2 GLY A 77 15.524 -0.489 -11.103 1.00 14.40 H new ATOM 0 HA3 GLY A 77 16.241 -0.585 -9.507 1.00 14.40 H new ATOM 1203 N VAL A 78 14.210 -3.037 -10.118 1.00 51.44 N ATOM 1204 CA VAL A 78 14.065 -4.498 -10.197 1.00 13.34 C ATOM 1205 C VAL A 78 13.013 -4.892 -11.248 1.00 72.15 C ATOM 1206 O VAL A 78 12.530 -4.042 -11.998 1.00 12.44 O ATOM 1207 CB VAL A 78 13.655 -5.093 -8.822 1.00 32.30 C ATOM 1208 CG1 VAL A 78 14.713 -4.801 -7.758 1.00 5.10 C ATOM 1209 CG2 VAL A 78 12.287 -4.561 -8.387 1.00 21.32 C ATOM 0 H VAL A 78 13.329 -2.538 -9.997 1.00 51.44 H new ATOM 0 HA VAL A 78 15.034 -4.903 -10.489 1.00 13.34 H new ATOM 0 HB VAL A 78 13.582 -6.175 -8.933 1.00 32.30 H new ATOM 0 HG11 VAL A 78 14.399 -5.229 -6.806 1.00 5.10 H new ATOM 0 HG12 VAL A 78 15.663 -5.242 -8.059 1.00 5.10 H new ATOM 0 HG13 VAL A 78 14.832 -3.723 -7.649 1.00 5.10 H new ATOM 0 HG21 VAL A 78 12.020 -4.991 -7.422 1.00 21.32 H new ATOM 0 HG22 VAL A 78 12.329 -3.475 -8.302 1.00 21.32 H new ATOM 0 HG23 VAL A 78 11.537 -4.838 -9.128 1.00 21.32 H new ATOM 1219 N THR A 79 12.674 -6.181 -11.320 1.00 62.21 N ATOM 1220 CA THR A 79 11.553 -6.631 -12.159 1.00 64.32 C ATOM 1221 C THR A 79 10.250 -5.981 -11.672 1.00 52.24 C ATOM 1222 O THR A 79 9.663 -6.407 -10.674 1.00 50.13 O ATOM 1223 CB THR A 79 11.392 -8.174 -12.150 1.00 2.30 C ATOM 1224 OG1 THR A 79 12.609 -8.806 -12.582 1.00 42.31 O ATOM 1225 CG2 THR A 79 10.248 -8.614 -13.061 1.00 62.22 C ATOM 0 H THR A 79 13.152 -6.927 -10.815 1.00 62.21 H new ATOM 0 HA THR A 79 11.771 -6.327 -13.183 1.00 64.32 H new ATOM 0 HB THR A 79 11.164 -8.476 -11.128 1.00 2.30 H new ATOM 0 HG1 THR A 79 12.494 -9.779 -12.570 1.00 42.31 H new ATOM 0 HG21 THR A 79 10.159 -9.700 -13.035 1.00 62.22 H new ATOM 0 HG22 THR A 79 9.316 -8.165 -12.718 1.00 62.22 H new ATOM 0 HG23 THR A 79 10.451 -8.291 -14.082 1.00 62.22 H new ATOM 1233 N ALA A 80 9.809 -4.943 -12.375 1.00 65.44 N ATOM 1234 CA ALA A 80 8.726 -4.074 -11.897 1.00 54.32 C ATOM 1235 C ALA A 80 7.329 -4.553 -12.334 1.00 55.33 C ATOM 1236 O ALA A 80 6.475 -3.742 -12.705 1.00 11.24 O ATOM 1237 CB ALA A 80 8.979 -2.647 -12.377 1.00 62.30 C ATOM 0 H ALA A 80 10.185 -4.677 -13.285 1.00 65.44 H new ATOM 0 HA ALA A 80 8.731 -4.112 -10.808 1.00 54.32 H new ATOM 0 HB1 ALA A 80 8.178 -1.997 -12.025 1.00 62.30 H new ATOM 0 HB2 ALA A 80 9.932 -2.294 -11.983 1.00 62.30 H new ATOM 0 HB3 ALA A 80 9.008 -2.629 -13.466 1.00 62.30 H new ATOM 1243 N SER A 81 7.080 -5.862 -12.257 1.00 11.23 N ATOM 1244 CA SER A 81 5.776 -6.420 -12.659 1.00 12.33 C ATOM 1245 C SER A 81 5.501 -7.791 -12.008 1.00 41.11 C ATOM 1246 O SER A 81 6.405 -8.622 -11.894 1.00 23.42 O ATOM 1247 CB SER A 81 5.699 -6.563 -14.192 1.00 21.24 C ATOM 1248 OG SER A 81 5.853 -5.308 -14.845 1.00 34.53 O ATOM 0 H SER A 81 7.752 -6.553 -11.925 1.00 11.23 H new ATOM 0 HA SER A 81 5.015 -5.721 -12.312 1.00 12.33 H new ATOM 0 HB2 SER A 81 6.475 -7.249 -14.533 1.00 21.24 H new ATOM 0 HB3 SER A 81 4.741 -7.002 -14.469 1.00 21.24 H new ATOM 0 HG SER A 81 5.801 -5.435 -15.815 1.00 34.53 H new ATOM 1254 N PRO A 82 4.242 -8.029 -11.559 1.00 22.04 N ATOM 1255 CA PRO A 82 3.761 -9.370 -11.122 1.00 21.14 C ATOM 1256 C PRO A 82 4.203 -10.494 -12.092 1.00 62.23 C ATOM 1257 O PRO A 82 4.563 -10.181 -13.233 1.00 43.33 O ATOM 1258 CB PRO A 82 2.240 -9.172 -11.151 1.00 31.13 C ATOM 1259 CG PRO A 82 2.051 -7.746 -10.775 1.00 62.03 C ATOM 1260 CD PRO A 82 3.188 -7.001 -11.418 1.00 22.43 C ATOM 0 HA PRO A 82 4.156 -9.683 -10.155 1.00 21.14 H new ATOM 0 HB2 PRO A 82 1.830 -9.381 -12.139 1.00 31.13 H new ATOM 0 HB3 PRO A 82 1.738 -9.839 -10.450 1.00 31.13 H new ATOM 0 HG2 PRO A 82 1.089 -7.372 -11.127 1.00 62.03 H new ATOM 0 HG3 PRO A 82 2.064 -7.622 -9.692 1.00 62.03 H new ATOM 0 HD2 PRO A 82 2.900 -6.587 -12.384 1.00 22.43 H new ATOM 0 HD3 PRO A 82 3.521 -6.167 -10.800 1.00 22.43 H new ATOM 1268 N PRO A 83 4.171 -11.827 -11.758 1.00 32.40 N ATOM 1269 CA PRO A 83 3.458 -12.549 -10.664 1.00 3.44 C ATOM 1270 C PRO A 83 2.770 -11.781 -9.508 1.00 63.14 C ATOM 1271 O PRO A 83 1.549 -11.615 -9.528 1.00 60.51 O ATOM 1272 CB PRO A 83 4.582 -13.444 -10.147 1.00 23.40 C ATOM 1273 CG PRO A 83 5.372 -13.805 -11.379 1.00 10.34 C ATOM 1274 CD PRO A 83 4.966 -12.834 -12.478 1.00 0.15 C ATOM 0 HA PRO A 83 2.559 -13.009 -11.075 1.00 3.44 H new ATOM 0 HB2 PRO A 83 5.201 -12.922 -9.417 1.00 23.40 H new ATOM 0 HB3 PRO A 83 4.187 -14.332 -9.654 1.00 23.40 H new ATOM 0 HG2 PRO A 83 6.442 -13.737 -11.183 1.00 10.34 H new ATOM 0 HG3 PRO A 83 5.167 -14.833 -11.679 1.00 10.34 H new ATOM 0 HD2 PRO A 83 5.835 -12.389 -12.964 1.00 0.15 H new ATOM 0 HD3 PRO A 83 4.383 -13.327 -13.256 1.00 0.15 H new ATOM 1282 N THR A 84 3.515 -11.340 -8.493 1.00 10.34 N ATOM 1283 CA THR A 84 2.875 -10.887 -7.237 1.00 40.52 C ATOM 1284 C THR A 84 2.876 -9.360 -7.024 1.00 2.21 C ATOM 1285 O THR A 84 1.864 -8.698 -7.261 1.00 2.31 O ATOM 1286 CB THR A 84 3.486 -11.596 -5.992 1.00 45.42 C ATOM 1287 OG1 THR A 84 3.046 -10.959 -4.778 1.00 64.31 O ATOM 1288 CG2 THR A 84 5.012 -11.624 -6.041 1.00 51.32 C ATOM 0 H THR A 84 4.533 -11.284 -8.503 1.00 10.34 H new ATOM 0 HA THR A 84 1.830 -11.177 -7.350 1.00 40.52 H new ATOM 0 HB THR A 84 3.133 -12.627 -6.006 1.00 45.42 H new ATOM 0 HG1 THR A 84 3.438 -11.419 -4.007 1.00 64.31 H new ATOM 0 HG21 THR A 84 5.395 -12.127 -5.154 1.00 51.32 H new ATOM 0 HG22 THR A 84 5.338 -12.161 -6.932 1.00 51.32 H new ATOM 0 HG23 THR A 84 5.394 -10.604 -6.073 1.00 51.32 H new ATOM 1296 N ASP A 85 3.999 -8.801 -6.581 1.00 50.54 N ATOM 1297 CA ASP A 85 4.030 -7.417 -6.089 1.00 13.14 C ATOM 1298 C ASP A 85 3.804 -6.375 -7.205 1.00 54.10 C ATOM 1299 O ASP A 85 4.456 -6.404 -8.250 1.00 23.13 O ATOM 1300 CB ASP A 85 5.355 -7.150 -5.367 1.00 54.03 C ATOM 1301 CG ASP A 85 5.593 -8.135 -4.232 1.00 53.23 C ATOM 1302 OD1 ASP A 85 4.974 -7.981 -3.156 1.00 4.51 O ATOM 1303 OD2 ASP A 85 6.394 -9.077 -4.413 1.00 63.10 O ATOM 0 H ASP A 85 4.899 -9.279 -6.551 1.00 50.54 H new ATOM 0 HA ASP A 85 3.200 -7.307 -5.391 1.00 13.14 H new ATOM 0 HB2 ASP A 85 6.176 -7.214 -6.081 1.00 54.03 H new ATOM 0 HB3 ASP A 85 5.354 -6.134 -4.972 1.00 54.03 H new ATOM 1308 N LEU A 86 2.865 -5.457 -6.964 1.00 52.34 N ATOM 1309 CA LEU A 86 2.583 -4.354 -7.892 1.00 30.34 C ATOM 1310 C LEU A 86 3.483 -3.141 -7.607 1.00 42.32 C ATOM 1311 O LEU A 86 3.275 -2.412 -6.636 1.00 64.33 O ATOM 1312 CB LEU A 86 1.099 -3.942 -7.796 1.00 74.13 C ATOM 1313 CG LEU A 86 0.100 -4.903 -8.465 1.00 55.20 C ATOM 1314 CD1 LEU A 86 -1.337 -4.510 -8.130 1.00 30.14 C ATOM 1315 CD2 LEU A 86 0.304 -4.921 -9.979 1.00 62.41 C ATOM 0 H LEU A 86 2.282 -5.455 -6.127 1.00 52.34 H new ATOM 0 HA LEU A 86 2.795 -4.705 -8.902 1.00 30.34 H new ATOM 0 HB2 LEU A 86 0.834 -3.846 -6.743 1.00 74.13 H new ATOM 0 HB3 LEU A 86 0.984 -2.956 -8.245 1.00 74.13 H new ATOM 0 HG LEU A 86 0.283 -5.905 -8.077 1.00 55.20 H new ATOM 0 HD11 LEU A 86 -2.026 -5.203 -8.613 1.00 30.14 H new ATOM 0 HD12 LEU A 86 -1.482 -4.548 -7.050 1.00 30.14 H new ATOM 0 HD13 LEU A 86 -1.530 -3.498 -8.487 1.00 30.14 H new ATOM 0 HD21 LEU A 86 -0.411 -5.606 -10.434 1.00 62.41 H new ATOM 0 HD22 LEU A 86 0.151 -3.918 -10.379 1.00 62.41 H new ATOM 0 HD23 LEU A 86 1.318 -5.251 -10.206 1.00 62.41 H new ATOM 1327 N ILE A 87 4.492 -2.937 -8.446 1.00 74.35 N ATOM 1328 CA ILE A 87 5.373 -1.772 -8.317 1.00 30.40 C ATOM 1329 C ILE A 87 4.656 -0.497 -8.797 1.00 62.21 C ATOM 1330 O ILE A 87 4.202 -0.421 -9.941 1.00 60.30 O ATOM 1331 CB ILE A 87 6.704 -1.956 -9.105 1.00 34.23 C ATOM 1332 CG1 ILE A 87 7.582 -3.057 -8.467 1.00 54.32 C ATOM 1333 CG2 ILE A 87 7.480 -0.639 -9.187 1.00 11.43 C ATOM 1334 CD1 ILE A 87 7.023 -4.463 -8.579 1.00 74.31 C ATOM 0 H ILE A 87 4.724 -3.558 -9.221 1.00 74.35 H new ATOM 0 HA ILE A 87 5.621 -1.673 -7.260 1.00 30.40 H new ATOM 0 HB ILE A 87 6.446 -2.268 -10.117 1.00 34.23 H new ATOM 0 HG12 ILE A 87 8.566 -3.034 -8.936 1.00 54.32 H new ATOM 0 HG13 ILE A 87 7.726 -2.821 -7.413 1.00 54.32 H new ATOM 0 HG21 ILE A 87 8.405 -0.796 -9.742 1.00 11.43 H new ATOM 0 HG22 ILE A 87 6.873 0.110 -9.696 1.00 11.43 H new ATOM 0 HG23 ILE A 87 7.715 -0.292 -8.181 1.00 11.43 H new ATOM 0 HD11 ILE A 87 7.707 -5.166 -8.103 1.00 74.31 H new ATOM 0 HD12 ILE A 87 6.053 -4.509 -8.084 1.00 74.31 H new ATOM 0 HD13 ILE A 87 6.906 -4.725 -9.630 1.00 74.31 H new ATOM 1346 N TRP A 88 4.547 0.490 -7.909 1.00 63.15 N ATOM 1347 CA TRP A 88 3.882 1.761 -8.217 1.00 35.01 C ATOM 1348 C TRP A 88 4.647 2.537 -9.308 1.00 55.22 C ATOM 1349 O TRP A 88 5.371 3.495 -9.026 1.00 72.20 O ATOM 1350 CB TRP A 88 3.761 2.608 -6.936 1.00 62.21 C ATOM 1351 CG TRP A 88 2.746 3.719 -7.004 1.00 61.44 C ATOM 1352 CD1 TRP A 88 2.243 4.326 -8.122 1.00 64.43 C ATOM 1353 CD2 TRP A 88 2.117 4.360 -5.887 1.00 21.30 C ATOM 1354 NE1 TRP A 88 1.341 5.297 -7.766 1.00 54.51 N ATOM 1355 CE2 TRP A 88 1.244 5.336 -6.400 1.00 24.22 C ATOM 1356 CE3 TRP A 88 2.202 4.196 -4.499 1.00 54.35 C ATOM 1357 CZ2 TRP A 88 0.470 6.148 -5.578 1.00 71.20 C ATOM 1358 CZ3 TRP A 88 1.431 5.004 -3.685 1.00 64.52 C ATOM 1359 CH2 TRP A 88 0.572 5.966 -4.228 1.00 34.13 C ATOM 0 H TRP A 88 4.914 0.435 -6.959 1.00 63.15 H new ATOM 0 HA TRP A 88 2.884 1.547 -8.600 1.00 35.01 H new ATOM 0 HB2 TRP A 88 3.503 1.950 -6.106 1.00 62.21 H new ATOM 0 HB3 TRP A 88 4.736 3.040 -6.710 1.00 62.21 H new ATOM 0 HD1 TRP A 88 2.516 4.077 -9.137 1.00 64.43 H new ATOM 0 HE1 TRP A 88 0.826 5.893 -8.414 1.00 54.51 H new ATOM 0 HE3 TRP A 88 2.858 3.452 -4.072 1.00 54.35 H new ATOM 0 HZ2 TRP A 88 -0.189 6.897 -5.993 1.00 71.20 H new ATOM 0 HZ3 TRP A 88 1.492 4.891 -2.613 1.00 64.52 H new ATOM 0 HH2 TRP A 88 -0.023 6.577 -3.566 1.00 34.13 H new ATOM 1370 N LYS A 89 4.472 2.118 -10.558 1.00 54.22 N ATOM 1371 CA LYS A 89 5.165 2.731 -11.698 1.00 23.03 C ATOM 1372 C LYS A 89 4.482 4.032 -12.165 1.00 12.42 C ATOM 1373 O LYS A 89 4.662 4.467 -13.301 1.00 42.05 O ATOM 1374 CB LYS A 89 5.262 1.715 -12.848 1.00 63.52 C ATOM 1375 CG LYS A 89 6.176 0.533 -12.521 1.00 23.41 C ATOM 1376 CD LYS A 89 6.249 -0.492 -13.651 1.00 40.04 C ATOM 1377 CE LYS A 89 4.932 -1.236 -13.847 1.00 44.34 C ATOM 1378 NZ LYS A 89 5.080 -2.367 -14.805 1.00 23.55 N ATOM 0 H LYS A 89 3.851 1.350 -10.813 1.00 54.22 H new ATOM 0 HA LYS A 89 6.169 3.007 -11.375 1.00 23.03 H new ATOM 0 HB2 LYS A 89 4.265 1.343 -13.083 1.00 63.52 H new ATOM 0 HB3 LYS A 89 5.633 2.218 -13.741 1.00 63.52 H new ATOM 0 HG2 LYS A 89 7.179 0.904 -12.308 1.00 23.41 H new ATOM 0 HG3 LYS A 89 5.818 0.043 -11.615 1.00 23.41 H new ATOM 0 HD2 LYS A 89 6.520 0.012 -14.579 1.00 40.04 H new ATOM 0 HD3 LYS A 89 7.040 -1.210 -13.436 1.00 40.04 H new ATOM 0 HE2 LYS A 89 4.581 -1.615 -12.887 1.00 44.34 H new ATOM 0 HE3 LYS A 89 4.173 -0.544 -14.214 1.00 44.34 H new ATOM 0 HZ1 LYS A 89 4.142 -2.655 -15.150 1.00 23.55 H new ATOM 0 HZ2 LYS A 89 5.667 -2.066 -15.609 1.00 23.55 H new ATOM 0 HZ3 LYS A 89 5.534 -3.171 -14.326 1.00 23.55 H new ATOM 1392 N ASN A 90 3.716 4.656 -11.267 1.00 75.11 N ATOM 1393 CA ASN A 90 3.095 5.963 -11.525 1.00 61.32 C ATOM 1394 C ASN A 90 3.564 7.009 -10.494 1.00 1.53 C ATOM 1395 O ASN A 90 3.006 8.106 -10.401 1.00 12.53 O ATOM 1396 CB ASN A 90 1.565 5.840 -11.489 1.00 43.43 C ATOM 1397 CG ASN A 90 1.032 4.932 -12.581 1.00 51.14 C ATOM 1398 OD1 ASN A 90 0.895 3.726 -12.396 1.00 21.25 O ATOM 1399 ND2 ASN A 90 0.727 5.500 -13.730 1.00 32.12 N ATOM 0 H ASN A 90 3.508 4.274 -10.344 1.00 75.11 H new ATOM 0 HA ASN A 90 3.403 6.295 -12.516 1.00 61.32 H new ATOM 0 HB2 ASN A 90 1.257 5.454 -10.517 1.00 43.43 H new ATOM 0 HB3 ASN A 90 1.121 6.830 -11.594 1.00 43.43 H new ATOM 0 HD21 ASN A 90 0.365 4.935 -14.498 1.00 32.12 H new ATOM 0 HD22 ASN A 90 0.853 6.505 -13.851 1.00 32.12 H new ATOM 1406 N GLN A 91 4.592 6.657 -9.723 1.00 51.41 N ATOM 1407 CA GLN A 91 5.153 7.557 -8.705 1.00 62.02 C ATOM 1408 C GLN A 91 6.651 7.286 -8.492 1.00 63.25 C ATOM 1409 O GLN A 91 7.066 6.137 -8.326 1.00 71.21 O ATOM 1410 CB GLN A 91 4.410 7.383 -7.372 1.00 20.13 C ATOM 1411 CG GLN A 91 4.918 8.302 -6.259 1.00 62.54 C ATOM 1412 CD GLN A 91 4.333 7.974 -4.894 1.00 52.11 C ATOM 1413 OE1 GLN A 91 4.148 8.849 -4.055 1.00 13.52 O ATOM 1414 NE2 GLN A 91 4.062 6.708 -4.646 1.00 42.51 N ATOM 0 H GLN A 91 5.058 5.752 -9.781 1.00 51.41 H new ATOM 0 HA GLN A 91 5.029 8.580 -9.061 1.00 62.02 H new ATOM 0 HB2 GLN A 91 3.348 7.572 -7.531 1.00 20.13 H new ATOM 0 HB3 GLN A 91 4.504 6.347 -7.047 1.00 20.13 H new ATOM 0 HG2 GLN A 91 6.005 8.232 -6.207 1.00 62.54 H new ATOM 0 HG3 GLN A 91 4.677 9.335 -6.511 1.00 62.54 H new ATOM 0 HE21 GLN A 91 4.226 6.001 -5.363 1.00 42.51 H new ATOM 0 HE22 GLN A 91 3.688 6.435 -3.737 1.00 42.51 H new ATOM 1423 N ASN A 92 7.454 8.345 -8.491 1.00 44.31 N ATOM 1424 CA ASN A 92 8.894 8.230 -8.229 1.00 53.33 C ATOM 1425 C ASN A 92 9.179 8.125 -6.719 1.00 60.35 C ATOM 1426 O ASN A 92 8.261 8.154 -5.898 1.00 30.45 O ATOM 1427 CB ASN A 92 9.631 9.441 -8.814 1.00 41.01 C ATOM 1428 CG ASN A 92 9.504 9.534 -10.325 1.00 61.41 C ATOM 1429 OD1 ASN A 92 9.417 8.526 -11.024 1.00 25.23 O ATOM 1430 ND2 ASN A 92 9.488 10.745 -10.845 1.00 5.12 N ATOM 0 H ASN A 92 7.136 9.298 -8.669 1.00 44.31 H new ATOM 0 HA ASN A 92 9.253 7.319 -8.708 1.00 53.33 H new ATOM 0 HB2 ASN A 92 9.237 10.352 -8.364 1.00 41.01 H new ATOM 0 HB3 ASN A 92 10.686 9.383 -8.546 1.00 41.01 H new ATOM 0 HD21 ASN A 92 9.402 10.866 -11.854 1.00 5.12 H new ATOM 0 HD22 ASN A 92 9.562 11.562 -10.238 1.00 5.12 H new ATOM 1437 N SER A 93 10.453 7.991 -6.358 1.00 74.53 N ATOM 1438 CA SER A 93 10.853 7.972 -4.943 1.00 45.34 C ATOM 1439 C SER A 93 10.608 9.337 -4.283 1.00 75.33 C ATOM 1440 O SER A 93 11.215 10.337 -4.669 1.00 73.13 O ATOM 1441 CB SER A 93 12.331 7.593 -4.806 1.00 74.10 C ATOM 1442 OG SER A 93 12.741 7.612 -3.448 1.00 53.23 O ATOM 0 H SER A 93 11.226 7.894 -7.017 1.00 74.53 H new ATOM 0 HA SER A 93 10.243 7.224 -4.436 1.00 45.34 H new ATOM 0 HB2 SER A 93 12.495 6.600 -5.224 1.00 74.10 H new ATOM 0 HB3 SER A 93 12.942 8.287 -5.383 1.00 74.10 H new ATOM 0 HG SER A 93 13.688 7.365 -3.389 1.00 53.23 H new ATOM 1448 N TRP A 94 9.713 9.374 -3.294 1.00 41.24 N ATOM 1449 CA TRP A 94 9.350 10.633 -2.626 1.00 13.34 C ATOM 1450 C TRP A 94 10.560 11.304 -1.943 1.00 13.15 C ATOM 1451 O TRP A 94 10.773 12.508 -2.092 1.00 60.13 O ATOM 1452 CB TRP A 94 8.204 10.406 -1.617 1.00 30.42 C ATOM 1453 CG TRP A 94 8.467 9.319 -0.607 1.00 73.05 C ATOM 1454 CD1 TRP A 94 9.081 9.452 0.607 1.00 22.30 C ATOM 1455 CD2 TRP A 94 8.112 7.933 -0.723 1.00 13.25 C ATOM 1456 NE1 TRP A 94 9.137 8.237 1.245 1.00 24.13 N ATOM 1457 CE2 TRP A 94 8.546 7.289 0.452 1.00 42.43 C ATOM 1458 CE3 TRP A 94 7.467 7.175 -1.705 1.00 12.02 C ATOM 1459 CZ2 TRP A 94 8.363 5.924 0.667 1.00 4.11 C ATOM 1460 CZ3 TRP A 94 7.285 5.819 -1.490 1.00 63.52 C ATOM 1461 CH2 TRP A 94 7.729 5.207 -0.310 1.00 2.20 C ATOM 0 H TRP A 94 9.226 8.552 -2.936 1.00 41.24 H new ATOM 0 HA TRP A 94 9.002 11.318 -3.400 1.00 13.34 H new ATOM 0 HB2 TRP A 94 8.014 11.339 -1.087 1.00 30.42 H new ATOM 0 HB3 TRP A 94 7.296 10.161 -2.167 1.00 30.42 H new ATOM 0 HD1 TRP A 94 9.466 10.378 1.007 1.00 22.30 H new ATOM 0 HE1 TRP A 94 9.552 8.068 2.161 1.00 24.13 H new ATOM 0 HE3 TRP A 94 7.117 7.639 -2.615 1.00 12.02 H new ATOM 0 HZ2 TRP A 94 8.710 5.449 1.573 1.00 4.11 H new ATOM 0 HZ3 TRP A 94 6.793 5.223 -2.244 1.00 63.52 H new ATOM 0 HH2 TRP A 94 7.567 4.148 -0.169 1.00 2.20 H new ATOM 1472 N GLY A 95 11.340 10.524 -1.191 1.00 21.25 N ATOM 1473 CA GLY A 95 12.539 11.044 -0.526 1.00 71.24 C ATOM 1474 C GLY A 95 12.283 12.209 0.440 1.00 13.34 C ATOM 1475 O GLY A 95 13.228 12.843 0.913 1.00 41.14 O ATOM 0 H GLY A 95 11.164 9.533 -1.027 1.00 21.25 H new ATOM 0 HA2 GLY A 95 13.014 10.232 0.024 1.00 71.24 H new ATOM 0 HA3 GLY A 95 13.247 11.370 -1.287 1.00 71.24 H new ATOM 1479 N THR A 96 11.016 12.468 0.762 1.00 44.13 N ATOM 1480 CA THR A 96 10.633 13.636 1.575 1.00 63.43 C ATOM 1481 C THR A 96 11.054 13.501 3.043 1.00 24.13 C ATOM 1482 O THR A 96 11.333 14.500 3.711 1.00 43.04 O ATOM 1483 CB THR A 96 9.107 13.875 1.533 1.00 21.12 C ATOM 1484 OG1 THR A 96 8.414 12.759 2.118 1.00 45.12 O ATOM 1485 CG2 THR A 96 8.628 14.076 0.101 1.00 25.41 C ATOM 0 H THR A 96 10.230 11.886 0.474 1.00 44.13 H new ATOM 0 HA THR A 96 11.161 14.482 1.134 1.00 63.43 H new ATOM 0 HB THR A 96 8.891 14.777 2.105 1.00 21.12 H new ATOM 0 HG1 THR A 96 7.448 12.921 2.088 1.00 45.12 H new ATOM 0 HG21 THR A 96 7.551 14.242 0.098 1.00 25.41 H new ATOM 0 HG22 THR A 96 9.130 14.941 -0.333 1.00 25.41 H new ATOM 0 HG23 THR A 96 8.860 13.189 -0.488 1.00 25.41 H new ATOM 1493 N GLY A 97 11.079 12.271 3.548 1.00 13.12 N ATOM 1494 CA GLY A 97 11.402 12.042 4.953 1.00 1.25 C ATOM 1495 C GLY A 97 10.315 12.541 5.906 1.00 63.21 C ATOM 1496 O GLY A 97 10.539 12.665 7.112 1.00 60.32 O ATOM 0 H GLY A 97 10.882 11.426 3.012 1.00 13.12 H new ATOM 0 HA2 GLY A 97 11.558 10.975 5.115 1.00 1.25 H new ATOM 0 HA3 GLY A 97 12.342 12.541 5.190 1.00 1.25 H new ATOM 1500 N GLU A 98 9.134 12.831 5.363 1.00 31.33 N ATOM 1501 CA GLU A 98 8.006 13.320 6.164 1.00 21.12 C ATOM 1502 C GLU A 98 7.046 12.190 6.558 1.00 20.31 C ATOM 1503 O GLU A 98 7.249 11.026 6.204 1.00 34.00 O ATOM 1504 CB GLU A 98 7.245 14.416 5.400 1.00 13.24 C ATOM 1505 CG GLU A 98 8.018 15.725 5.266 1.00 33.11 C ATOM 1506 CD GLU A 98 8.362 16.341 6.614 1.00 41.31 C ATOM 1507 OE1 GLU A 98 7.442 16.837 7.301 1.00 54.42 O ATOM 1508 OE2 GLU A 98 9.551 16.331 6.998 1.00 50.03 O ATOM 0 H GLU A 98 8.930 12.736 4.368 1.00 31.33 H new ATOM 0 HA GLU A 98 8.418 13.737 7.083 1.00 21.12 H new ATOM 0 HB2 GLU A 98 6.999 14.047 4.404 1.00 13.24 H new ATOM 0 HB3 GLU A 98 6.302 14.613 5.910 1.00 13.24 H new ATOM 0 HG2 GLU A 98 8.937 15.545 4.708 1.00 33.11 H new ATOM 0 HG3 GLU A 98 7.427 16.434 4.687 1.00 33.11 H new ATOM 1515 N ASP A 99 6.003 12.550 7.301 1.00 21.53 N ATOM 1516 CA ASP A 99 4.986 11.597 7.744 1.00 60.22 C ATOM 1517 C ASP A 99 4.268 10.941 6.553 1.00 65.12 C ATOM 1518 O ASP A 99 4.068 9.724 6.539 1.00 70.35 O ATOM 1519 CB ASP A 99 3.980 12.308 8.657 1.00 23.15 C ATOM 1520 CG ASP A 99 3.221 13.418 7.944 1.00 12.21 C ATOM 1521 OD1 ASP A 99 3.873 14.310 7.358 1.00 55.14 O ATOM 1522 OD2 ASP A 99 1.974 13.387 7.945 1.00 51.55 O ATOM 0 H ASP A 99 5.838 13.507 7.613 1.00 21.53 H new ATOM 0 HA ASP A 99 5.480 10.801 8.301 1.00 60.22 H new ATOM 0 HB2 ASP A 99 3.269 11.578 9.045 1.00 23.15 H new ATOM 0 HB3 ASP A 99 4.507 12.727 9.515 1.00 23.15 H new ATOM 1527 N VAL A 100 3.888 11.775 5.570 1.00 72.34 N ATOM 1528 CA VAL A 100 3.236 11.342 4.316 1.00 3.32 C ATOM 1529 C VAL A 100 2.363 10.070 4.486 1.00 13.54 C ATOM 1530 O VAL A 100 2.816 8.934 4.298 1.00 14.03 O ATOM 1531 CB VAL A 100 4.275 11.180 3.165 1.00 3.33 C ATOM 1532 CG1 VAL A 100 5.382 10.191 3.527 1.00 15.12 C ATOM 1533 CG2 VAL A 100 3.591 10.790 1.856 1.00 22.04 C ATOM 0 H VAL A 100 4.026 12.784 5.622 1.00 72.34 H new ATOM 0 HA VAL A 100 2.547 12.139 4.038 1.00 3.32 H new ATOM 0 HB VAL A 100 4.749 12.151 3.021 1.00 3.33 H new ATOM 0 HG11 VAL A 100 6.083 10.109 2.696 1.00 15.12 H new ATOM 0 HG12 VAL A 100 5.909 10.544 4.413 1.00 15.12 H new ATOM 0 HG13 VAL A 100 4.945 9.213 3.730 1.00 15.12 H new ATOM 0 HG21 VAL A 100 4.340 10.684 1.071 1.00 22.04 H new ATOM 0 HG22 VAL A 100 3.067 9.843 1.987 1.00 22.04 H new ATOM 0 HG23 VAL A 100 2.877 11.564 1.574 1.00 22.04 H new ATOM 1543 N LYS A 101 1.099 10.296 4.835 1.00 32.35 N ATOM 1544 CA LYS A 101 0.169 9.234 5.252 1.00 64.13 C ATOM 1545 C LYS A 101 -0.558 8.575 4.064 1.00 4.44 C ATOM 1546 O LYS A 101 -0.999 9.252 3.137 1.00 24.12 O ATOM 1547 CB LYS A 101 -0.842 9.854 6.226 1.00 20.10 C ATOM 1548 CG LYS A 101 -1.969 8.933 6.682 1.00 65.04 C ATOM 1549 CD LYS A 101 -2.822 9.608 7.758 1.00 33.53 C ATOM 1550 CE LYS A 101 -3.363 10.962 7.295 1.00 75.42 C ATOM 1551 NZ LYS A 101 -3.976 11.732 8.411 1.00 5.20 N ATOM 0 H LYS A 101 0.682 11.227 4.838 1.00 32.35 H new ATOM 0 HA LYS A 101 0.738 8.437 5.731 1.00 64.13 H new ATOM 0 HB2 LYS A 101 -0.303 10.203 7.107 1.00 20.10 H new ATOM 0 HB3 LYS A 101 -1.283 10.732 5.754 1.00 20.10 H new ATOM 0 HG2 LYS A 101 -2.594 8.667 5.830 1.00 65.04 H new ATOM 0 HG3 LYS A 101 -1.551 8.005 7.072 1.00 65.04 H new ATOM 0 HD2 LYS A 101 -3.655 8.956 8.022 1.00 33.53 H new ATOM 0 HD3 LYS A 101 -2.226 9.745 8.660 1.00 33.53 H new ATOM 0 HE2 LYS A 101 -2.553 11.544 6.856 1.00 75.42 H new ATOM 0 HE3 LYS A 101 -4.105 10.807 6.512 1.00 75.42 H new ATOM 0 HZ1 LYS A 101 -4.329 12.642 8.052 1.00 5.20 H new ATOM 0 HZ2 LYS A 101 -4.766 11.189 8.815 1.00 5.20 H new ATOM 0 HZ3 LYS A 101 -3.262 11.904 9.147 1.00 5.20 H new ATOM 1565 N VAL A 102 -0.695 7.249 4.107 1.00 60.32 N ATOM 1566 CA VAL A 102 -1.339 6.491 3.022 1.00 40.34 C ATOM 1567 C VAL A 102 -2.773 6.053 3.392 1.00 40.11 C ATOM 1568 O VAL A 102 -3.050 5.701 4.542 1.00 74.10 O ATOM 1569 CB VAL A 102 -0.495 5.245 2.644 1.00 54.14 C ATOM 1570 CG1 VAL A 102 -0.448 4.240 3.792 1.00 54.41 C ATOM 1571 CG2 VAL A 102 -1.017 4.594 1.367 1.00 13.40 C ATOM 0 H VAL A 102 -0.369 6.672 4.882 1.00 60.32 H new ATOM 0 HA VAL A 102 -1.401 7.160 2.164 1.00 40.34 H new ATOM 0 HB VAL A 102 0.524 5.581 2.455 1.00 54.14 H new ATOM 0 HG11 VAL A 102 0.150 3.378 3.497 1.00 54.41 H new ATOM 0 HG12 VAL A 102 -0.001 4.709 4.668 1.00 54.41 H new ATOM 0 HG13 VAL A 102 -1.460 3.914 4.032 1.00 54.41 H new ATOM 0 HG21 VAL A 102 -0.406 3.724 1.126 1.00 13.40 H new ATOM 0 HG22 VAL A 102 -2.051 4.282 1.514 1.00 13.40 H new ATOM 0 HG23 VAL A 102 -0.967 5.310 0.547 1.00 13.40 H new ATOM 1581 N ILE A 103 -3.677 6.083 2.408 1.00 54.41 N ATOM 1582 CA ILE A 103 -5.091 5.723 2.613 1.00 21.22 C ATOM 1583 C ILE A 103 -5.524 4.574 1.682 1.00 61.12 C ATOM 1584 O ILE A 103 -5.166 4.555 0.502 1.00 35.31 O ATOM 1585 CB ILE A 103 -6.023 6.937 2.342 1.00 31.53 C ATOM 1586 CG1 ILE A 103 -5.576 8.171 3.146 1.00 24.04 C ATOM 1587 CG2 ILE A 103 -7.478 6.581 2.656 1.00 32.21 C ATOM 1588 CD1 ILE A 103 -5.602 7.976 4.648 1.00 31.04 C ATOM 0 H ILE A 103 -3.455 6.355 1.450 1.00 54.41 H new ATOM 0 HA ILE A 103 -5.180 5.406 3.652 1.00 21.22 H new ATOM 0 HB ILE A 103 -5.952 7.186 1.283 1.00 31.53 H new ATOM 0 HG12 ILE A 103 -4.564 8.441 2.843 1.00 24.04 H new ATOM 0 HG13 ILE A 103 -6.221 9.011 2.889 1.00 24.04 H new ATOM 0 HG21 ILE A 103 -8.114 7.444 2.460 1.00 32.21 H new ATOM 0 HG22 ILE A 103 -7.793 5.748 2.027 1.00 32.21 H new ATOM 0 HG23 ILE A 103 -7.565 6.297 3.705 1.00 32.21 H new ATOM 0 HD11 ILE A 103 -5.273 8.892 5.140 1.00 31.04 H new ATOM 0 HD12 ILE A 103 -6.617 7.738 4.966 1.00 31.04 H new ATOM 0 HD13 ILE A 103 -4.935 7.158 4.920 1.00 31.04 H new ATOM 1600 N LEU A 104 -6.303 3.627 2.209 1.00 40.02 N ATOM 1601 CA LEU A 104 -6.878 2.545 1.389 1.00 32.23 C ATOM 1602 C LEU A 104 -8.391 2.728 1.183 1.00 31.40 C ATOM 1603 O LEU A 104 -9.163 2.772 2.147 1.00 23.53 O ATOM 1604 CB LEU A 104 -6.610 1.170 2.025 1.00 74.23 C ATOM 1605 CG LEU A 104 -5.151 0.693 1.973 1.00 1.04 C ATOM 1606 CD1 LEU A 104 -5.020 -0.696 2.594 1.00 1.43 C ATOM 1607 CD2 LEU A 104 -4.637 0.690 0.534 1.00 72.54 C ATOM 0 H LEU A 104 -6.553 3.583 3.197 1.00 40.02 H new ATOM 0 HA LEU A 104 -6.389 2.593 0.416 1.00 32.23 H new ATOM 0 HB2 LEU A 104 -6.927 1.203 3.067 1.00 74.23 H new ATOM 0 HB3 LEU A 104 -7.235 0.430 1.525 1.00 74.23 H new ATOM 0 HG LEU A 104 -4.542 1.387 2.552 1.00 1.04 H new ATOM 0 HD11 LEU A 104 -3.980 -1.018 2.549 1.00 1.43 H new ATOM 0 HD12 LEU A 104 -5.344 -0.662 3.634 1.00 1.43 H new ATOM 0 HD13 LEU A 104 -5.643 -1.401 2.043 1.00 1.43 H new ATOM 0 HD21 LEU A 104 -3.602 0.349 0.518 1.00 72.54 H new ATOM 0 HD22 LEU A 104 -5.249 0.020 -0.070 1.00 72.54 H new ATOM 0 HD23 LEU A 104 -4.693 1.699 0.126 1.00 72.54 H new ATOM 1619 N LYS A 105 -8.803 2.828 -0.082 1.00 62.03 N ATOM 1620 CA LYS A 105 -10.224 2.939 -0.441 1.00 24.44 C ATOM 1621 C LYS A 105 -10.692 1.712 -1.242 1.00 50.14 C ATOM 1622 O LYS A 105 -9.913 1.106 -1.982 1.00 14.14 O ATOM 1623 CB LYS A 105 -10.472 4.205 -1.275 1.00 52.32 C ATOM 1624 CG LYS A 105 -10.125 5.514 -0.570 1.00 60.41 C ATOM 1625 CD LYS A 105 -10.418 6.716 -1.467 1.00 44.44 C ATOM 1626 CE LYS A 105 -10.054 8.038 -0.800 1.00 32.35 C ATOM 1627 NZ LYS A 105 -10.846 8.290 0.434 1.00 41.13 N ATOM 0 H LYS A 105 -8.170 2.835 -0.882 1.00 62.03 H new ATOM 0 HA LYS A 105 -10.792 2.995 0.488 1.00 24.44 H new ATOM 0 HB2 LYS A 105 -9.889 4.138 -2.194 1.00 52.32 H new ATOM 0 HB3 LYS A 105 -11.522 4.232 -1.565 1.00 52.32 H new ATOM 0 HG2 LYS A 105 -10.699 5.597 0.353 1.00 60.41 H new ATOM 0 HG3 LYS A 105 -9.071 5.512 -0.291 1.00 60.41 H new ATOM 0 HD2 LYS A 105 -9.861 6.616 -2.398 1.00 44.44 H new ATOM 0 HD3 LYS A 105 -11.476 6.722 -1.728 1.00 44.44 H new ATOM 0 HE2 LYS A 105 -8.992 8.036 -0.553 1.00 32.35 H new ATOM 0 HE3 LYS A 105 -10.216 8.854 -1.505 1.00 32.35 H new ATOM 0 HZ1 LYS A 105 -10.661 9.255 0.774 1.00 41.13 H new ATOM 0 HZ2 LYS A 105 -11.859 8.185 0.224 1.00 41.13 H new ATOM 0 HZ3 LYS A 105 -10.572 7.606 1.168 1.00 41.13 H new ATOM 1641 N ASN A 106 -11.966 1.349 -1.094 1.00 52.43 N ATOM 1642 CA ASN A 106 -12.552 0.260 -1.890 1.00 43.34 C ATOM 1643 C ASN A 106 -13.077 0.782 -3.234 1.00 41.05 C ATOM 1644 O ASN A 106 -12.949 1.966 -3.551 1.00 51.12 O ATOM 1645 CB ASN A 106 -13.719 -0.397 -1.140 1.00 33.31 C ATOM 1646 CG ASN A 106 -13.357 -0.796 0.269 1.00 40.04 C ATOM 1647 OD1 ASN A 106 -13.553 -0.035 1.204 1.00 43.04 O ATOM 1648 ND2 ASN A 106 -12.821 -1.990 0.429 1.00 50.42 N ATOM 0 H ASN A 106 -12.611 1.787 -0.437 1.00 52.43 H new ATOM 0 HA ASN A 106 -11.763 -0.472 -2.063 1.00 43.34 H new ATOM 0 HB2 ASN A 106 -14.562 0.294 -1.112 1.00 33.31 H new ATOM 0 HB3 ASN A 106 -14.048 -1.279 -1.690 1.00 33.31 H new ATOM 0 HD21 ASN A 106 -12.553 -2.308 1.360 1.00 50.42 H new ATOM 0 HD22 ASN A 106 -12.674 -2.595 -0.379 1.00 50.42 H new ATOM 1655 N SER A 107 -13.687 -0.109 -4.011 1.00 42.23 N ATOM 1656 CA SER A 107 -14.419 0.282 -5.225 1.00 20.11 C ATOM 1657 C SER A 107 -15.500 1.329 -4.904 1.00 62.33 C ATOM 1658 O SER A 107 -15.775 2.223 -5.705 1.00 23.35 O ATOM 1659 CB SER A 107 -15.074 -0.948 -5.863 1.00 24.32 C ATOM 1660 OG SER A 107 -15.924 -1.606 -4.934 1.00 64.12 O ATOM 0 H SER A 107 -13.692 -1.112 -3.825 1.00 42.23 H new ATOM 0 HA SER A 107 -13.705 0.720 -5.923 1.00 20.11 H new ATOM 0 HB2 SER A 107 -15.649 -0.646 -6.738 1.00 24.32 H new ATOM 0 HB3 SER A 107 -14.304 -1.637 -6.209 1.00 24.32 H new ATOM 0 HG SER A 107 -16.333 -2.387 -5.362 1.00 64.12 H new ATOM 1666 N GLN A 108 -16.108 1.203 -3.722 1.00 2.33 N ATOM 1667 CA GLN A 108 -17.122 2.161 -3.252 1.00 51.55 C ATOM 1668 C GLN A 108 -16.496 3.508 -2.839 1.00 34.23 C ATOM 1669 O GLN A 108 -17.204 4.491 -2.629 1.00 50.22 O ATOM 1670 CB GLN A 108 -17.911 1.558 -2.079 1.00 33.24 C ATOM 1671 CG GLN A 108 -18.717 0.315 -2.455 1.00 45.11 C ATOM 1672 CD GLN A 108 -19.506 -0.260 -1.288 1.00 4.04 C ATOM 1673 OE1 GLN A 108 -19.914 0.458 -0.380 1.00 14.14 O ATOM 1674 NE2 GLN A 108 -19.739 -1.559 -1.305 1.00 12.23 N ATOM 0 H GLN A 108 -15.917 0.444 -3.067 1.00 2.33 H new ATOM 0 HA GLN A 108 -17.800 2.359 -4.082 1.00 51.55 H new ATOM 0 HB2 GLN A 108 -17.216 1.301 -1.279 1.00 33.24 H new ATOM 0 HB3 GLN A 108 -18.589 2.314 -1.682 1.00 33.24 H new ATOM 0 HG2 GLN A 108 -19.405 0.566 -3.262 1.00 45.11 H new ATOM 0 HG3 GLN A 108 -18.039 -0.448 -2.839 1.00 45.11 H new ATOM 0 HE21 GLN A 108 -19.387 -2.130 -2.073 1.00 12.23 H new ATOM 0 HE22 GLN A 108 -20.271 -1.992 -0.550 1.00 12.23 H new ATOM 1683 N GLY A 109 -15.169 3.543 -2.708 1.00 3.24 N ATOM 1684 CA GLY A 109 -14.467 4.798 -2.434 1.00 53.01 C ATOM 1685 C GLY A 109 -14.352 5.161 -0.952 1.00 13.30 C ATOM 1686 O GLY A 109 -13.802 6.211 -0.617 1.00 14.52 O ATOM 0 H GLY A 109 -14.564 2.726 -2.786 1.00 3.24 H new ATOM 0 HA2 GLY A 109 -13.464 4.736 -2.857 1.00 53.01 H new ATOM 0 HA3 GLY A 109 -14.983 5.607 -2.952 1.00 53.01 H new ATOM 1690 N GLU A 110 -14.858 4.311 -0.055 1.00 1.42 N ATOM 1691 CA GLU A 110 -14.783 4.597 1.388 1.00 44.43 C ATOM 1692 C GLU A 110 -13.529 3.982 2.034 1.00 74.13 C ATOM 1693 O GLU A 110 -12.741 3.306 1.369 1.00 4.44 O ATOM 1694 CB GLU A 110 -16.051 4.126 2.115 1.00 31.51 C ATOM 1695 CG GLU A 110 -16.308 2.628 2.048 1.00 53.21 C ATOM 1696 CD GLU A 110 -17.547 2.234 2.838 1.00 13.21 C ATOM 1697 OE1 GLU A 110 -18.665 2.332 2.291 1.00 53.11 O ATOM 1698 OE2 GLU A 110 -17.413 1.857 4.020 1.00 34.05 O ATOM 0 H GLU A 110 -15.318 3.432 -0.292 1.00 1.42 H new ATOM 0 HA GLU A 110 -14.709 5.679 1.492 1.00 44.43 H new ATOM 0 HB2 GLU A 110 -15.983 4.422 3.162 1.00 31.51 H new ATOM 0 HB3 GLU A 110 -16.910 4.647 1.691 1.00 31.51 H new ATOM 0 HG2 GLU A 110 -16.428 2.326 1.008 1.00 53.21 H new ATOM 0 HG3 GLU A 110 -15.442 2.092 2.438 1.00 53.21 H new ATOM 1705 N GLU A 111 -13.361 4.216 3.337 1.00 23.34 N ATOM 1706 CA GLU A 111 -12.122 3.871 4.049 1.00 54.03 C ATOM 1707 C GLU A 111 -12.158 2.472 4.687 1.00 13.04 C ATOM 1708 O GLU A 111 -13.127 2.098 5.352 1.00 41.14 O ATOM 1709 CB GLU A 111 -11.857 4.907 5.150 1.00 15.55 C ATOM 1710 CG GLU A 111 -10.545 4.697 5.898 1.00 50.13 C ATOM 1711 CD GLU A 111 -10.408 5.627 7.092 1.00 50.50 C ATOM 1712 OE1 GLU A 111 -10.063 6.811 6.894 1.00 51.24 O ATOM 1713 OE2 GLU A 111 -10.673 5.182 8.232 1.00 53.33 O ATOM 0 H GLU A 111 -14.072 4.647 3.928 1.00 23.34 H new ATOM 0 HA GLU A 111 -11.325 3.871 3.305 1.00 54.03 H new ATOM 0 HB2 GLU A 111 -11.854 5.902 4.705 1.00 15.55 H new ATOM 0 HB3 GLU A 111 -12.679 4.880 5.865 1.00 15.55 H new ATOM 0 HG2 GLU A 111 -10.484 3.663 6.237 1.00 50.13 H new ATOM 0 HG3 GLU A 111 -9.710 4.859 5.216 1.00 50.13 H new ATOM 1720 N VAL A 112 -11.083 1.712 4.489 1.00 21.51 N ATOM 1721 CA VAL A 112 -10.873 0.447 5.207 1.00 15.14 C ATOM 1722 C VAL A 112 -9.785 0.605 6.279 1.00 75.13 C ATOM 1723 O VAL A 112 -9.980 0.241 7.443 1.00 5.32 O ATOM 1724 CB VAL A 112 -10.476 -0.700 4.243 1.00 3.32 C ATOM 1725 CG1 VAL A 112 -10.171 -1.985 5.013 1.00 72.53 C ATOM 1726 CG2 VAL A 112 -11.575 -0.938 3.219 1.00 63.13 C ATOM 0 H VAL A 112 -10.337 1.948 3.834 1.00 21.51 H new ATOM 0 HA VAL A 112 -11.820 0.189 5.682 1.00 15.14 H new ATOM 0 HB VAL A 112 -9.569 -0.401 3.717 1.00 3.32 H new ATOM 0 HG11 VAL A 112 -9.895 -2.773 4.312 1.00 72.53 H new ATOM 0 HG12 VAL A 112 -9.346 -1.809 5.703 1.00 72.53 H new ATOM 0 HG13 VAL A 112 -11.054 -2.291 5.574 1.00 72.53 H new ATOM 0 HG21 VAL A 112 -11.280 -1.746 2.550 1.00 63.13 H new ATOM 0 HG22 VAL A 112 -12.498 -1.210 3.732 1.00 63.13 H new ATOM 0 HG23 VAL A 112 -11.736 -0.029 2.640 1.00 63.13 H new ATOM 1736 N ALA A 113 -8.641 1.157 5.878 1.00 32.42 N ATOM 1737 CA ALA A 113 -7.509 1.352 6.789 1.00 20.52 C ATOM 1738 C ALA A 113 -6.536 2.424 6.272 1.00 41.04 C ATOM 1739 O ALA A 113 -6.556 2.786 5.092 1.00 13.13 O ATOM 1740 CB ALA A 113 -6.776 0.032 7.003 1.00 73.11 C ATOM 0 H ALA A 113 -8.471 1.479 4.925 1.00 32.42 H new ATOM 0 HA ALA A 113 -7.907 1.703 7.741 1.00 20.52 H new ATOM 0 HB1 ALA A 113 -5.937 0.188 7.681 1.00 73.11 H new ATOM 0 HB2 ALA A 113 -7.460 -0.699 7.434 1.00 73.11 H new ATOM 0 HB3 ALA A 113 -6.406 -0.338 6.047 1.00 73.11 H new ATOM 1746 N GLN A 114 -5.690 2.927 7.167 1.00 55.44 N ATOM 1747 CA GLN A 114 -4.672 3.926 6.812 1.00 71.51 C ATOM 1748 C GLN A 114 -3.465 3.851 7.762 1.00 21.20 C ATOM 1749 O GLN A 114 -3.502 3.139 8.767 1.00 0.13 O ATOM 1750 CB GLN A 114 -5.273 5.337 6.855 1.00 70.12 C ATOM 1751 CG GLN A 114 -5.918 5.698 8.190 1.00 64.53 C ATOM 1752 CD GLN A 114 -6.243 7.178 8.301 1.00 62.31 C ATOM 1753 OE1 GLN A 114 -7.313 7.632 7.911 1.00 63.44 O ATOM 1754 NE2 GLN A 114 -5.324 7.944 8.847 1.00 52.42 N ATOM 0 H GLN A 114 -5.686 2.660 8.151 1.00 55.44 H new ATOM 0 HA GLN A 114 -4.330 3.708 5.800 1.00 71.51 H new ATOM 0 HB2 GLN A 114 -4.489 6.061 6.635 1.00 70.12 H new ATOM 0 HB3 GLN A 114 -6.020 5.426 6.066 1.00 70.12 H new ATOM 0 HG2 GLN A 114 -6.833 5.119 8.316 1.00 64.53 H new ATOM 0 HG3 GLN A 114 -5.247 5.415 9.001 1.00 64.53 H new ATOM 0 HE21 GLN A 114 -4.443 7.538 9.162 1.00 52.42 H new ATOM 0 HE22 GLN A 114 -5.492 8.944 8.955 1.00 52.42 H new ATOM 1763 N ARG A 115 -2.398 4.586 7.433 1.00 73.25 N ATOM 1764 CA ARG A 115 -1.203 4.655 8.292 1.00 55.23 C ATOM 1765 C ARG A 115 -0.165 5.653 7.740 1.00 1.13 C ATOM 1766 O ARG A 115 -0.051 5.840 6.529 1.00 74.13 O ATOM 1767 CB ARG A 115 -0.562 3.261 8.436 1.00 5.30 C ATOM 1768 CG ARG A 115 0.601 3.213 9.423 1.00 12.35 C ATOM 1769 CD ARG A 115 1.154 1.800 9.590 1.00 54.15 C ATOM 1770 NE ARG A 115 0.163 0.875 10.150 1.00 63.53 N ATOM 1771 CZ ARG A 115 0.392 0.060 11.147 1.00 45.11 C ATOM 1772 NH1 ARG A 115 1.552 0.029 11.723 1.00 33.42 N ATOM 1773 NH2 ARG A 115 -0.539 -0.733 11.566 1.00 52.53 N ATOM 0 H ARG A 115 -2.334 5.142 6.580 1.00 73.25 H new ATOM 0 HA ARG A 115 -1.524 5.007 9.272 1.00 55.23 H new ATOM 0 HB2 ARG A 115 -1.326 2.552 8.755 1.00 5.30 H new ATOM 0 HB3 ARG A 115 -0.210 2.931 7.459 1.00 5.30 H new ATOM 0 HG2 ARG A 115 1.396 3.875 9.079 1.00 12.35 H new ATOM 0 HG3 ARG A 115 0.270 3.589 10.391 1.00 12.35 H new ATOM 0 HD2 ARG A 115 1.489 1.427 8.622 1.00 54.15 H new ATOM 0 HD3 ARG A 115 2.028 1.829 10.240 1.00 54.15 H new ATOM 0 HE ARG A 115 -0.768 0.867 9.734 1.00 63.53 H new ATOM 0 HH11 ARG A 115 2.298 0.644 11.400 1.00 33.42 H new ATOM 0 HH12 ARG A 115 1.719 -0.611 12.500 1.00 33.42 H new ATOM 0 HH21 ARG A 115 -1.456 -0.724 11.119 1.00 52.53 H new ATOM 0 HH22 ARG A 115 -0.357 -1.367 12.344 1.00 52.53 H new ATOM 1787 N SER A 116 0.580 6.302 8.637 1.00 34.52 N ATOM 1788 CA SER A 116 1.680 7.205 8.248 1.00 23.13 C ATOM 1789 C SER A 116 3.045 6.608 8.631 1.00 23.11 C ATOM 1790 O SER A 116 3.118 5.514 9.197 1.00 4.10 O ATOM 1791 CB SER A 116 1.508 8.576 8.921 1.00 41.42 C ATOM 1792 OG SER A 116 1.460 8.453 10.335 1.00 62.52 O ATOM 0 H SER A 116 0.445 6.222 9.645 1.00 34.52 H new ATOM 0 HA SER A 116 1.646 7.328 7.166 1.00 23.13 H new ATOM 0 HB2 SER A 116 2.334 9.229 8.638 1.00 41.42 H new ATOM 0 HB3 SER A 116 0.592 9.047 8.563 1.00 41.42 H new ATOM 0 HG SER A 116 1.352 9.340 10.737 1.00 62.52 H new ATOM 1798 N THR A 117 4.126 7.322 8.319 1.00 32.30 N ATOM 1799 CA THR A 117 5.477 6.853 8.657 1.00 63.13 C ATOM 1800 C THR A 117 5.779 7.029 10.153 1.00 52.41 C ATOM 1801 O THR A 117 5.779 8.145 10.676 1.00 23.51 O ATOM 1802 CB THR A 117 6.568 7.590 7.841 1.00 2.14 C ATOM 1803 OG1 THR A 117 6.534 8.995 8.127 1.00 44.30 O ATOM 1804 CG2 THR A 117 6.383 7.365 6.342 1.00 53.53 C ATOM 0 H THR A 117 4.098 8.220 7.837 1.00 32.30 H new ATOM 0 HA THR A 117 5.499 5.793 8.404 1.00 63.13 H new ATOM 0 HB THR A 117 7.536 7.183 8.132 1.00 2.14 H new ATOM 0 HG1 THR A 117 6.831 9.496 7.339 1.00 44.30 H new ATOM 0 HG21 THR A 117 7.163 7.895 5.796 1.00 53.53 H new ATOM 0 HG22 THR A 117 6.446 6.299 6.124 1.00 53.53 H new ATOM 0 HG23 THR A 117 5.407 7.741 6.035 1.00 53.53 H new ATOM 1812 N VAL A 118 6.018 5.919 10.848 1.00 13.43 N ATOM 1813 CA VAL A 118 6.378 5.962 12.266 1.00 63.12 C ATOM 1814 C VAL A 118 7.892 6.156 12.434 1.00 31.51 C ATOM 1815 O VAL A 118 8.686 5.268 12.106 1.00 3.23 O ATOM 1816 CB VAL A 118 5.937 4.672 13.004 1.00 11.54 C ATOM 1817 CG1 VAL A 118 6.257 4.767 14.495 1.00 73.24 C ATOM 1818 CG2 VAL A 118 4.446 4.406 12.779 1.00 4.22 C ATOM 0 H VAL A 118 5.969 4.979 10.454 1.00 13.43 H new ATOM 0 HA VAL A 118 5.853 6.809 12.708 1.00 63.12 H new ATOM 0 HB VAL A 118 6.496 3.832 12.593 1.00 11.54 H new ATOM 0 HG11 VAL A 118 5.939 3.852 14.994 1.00 73.24 H new ATOM 0 HG12 VAL A 118 7.331 4.900 14.629 1.00 73.24 H new ATOM 0 HG13 VAL A 118 5.730 5.618 14.927 1.00 73.24 H new ATOM 0 HG21 VAL A 118 4.155 3.496 13.305 1.00 4.22 H new ATOM 0 HG22 VAL A 118 3.865 5.246 13.159 1.00 4.22 H new ATOM 0 HG23 VAL A 118 4.255 4.286 11.713 1.00 4.22 H new ATOM 1828 N PHE A 119 8.288 7.318 12.942 1.00 24.02 N ATOM 1829 CA PHE A 119 9.705 7.666 13.071 1.00 34.20 C ATOM 1830 C PHE A 119 10.373 6.932 14.248 1.00 74.44 C ATOM 1831 O PHE A 119 10.699 7.529 15.280 1.00 43.12 O ATOM 1832 CB PHE A 119 9.861 9.186 13.215 1.00 52.24 C ATOM 1833 CG PHE A 119 9.277 9.960 12.058 1.00 1.55 C ATOM 1834 CD1 PHE A 119 10.005 10.146 10.892 1.00 20.23 C ATOM 1835 CD2 PHE A 119 7.997 10.494 12.135 1.00 21.32 C ATOM 1836 CE1 PHE A 119 9.470 10.848 9.829 1.00 42.44 C ATOM 1837 CE2 PHE A 119 7.459 11.198 11.075 1.00 54.44 C ATOM 1838 CZ PHE A 119 8.196 11.373 9.920 1.00 73.32 C ATOM 0 H PHE A 119 7.648 8.040 13.273 1.00 24.02 H new ATOM 0 HA PHE A 119 10.214 7.341 12.164 1.00 34.20 H new ATOM 0 HB2 PHE A 119 9.379 9.508 14.138 1.00 52.24 H new ATOM 0 HB3 PHE A 119 10.920 9.428 13.307 1.00 52.24 H new ATOM 0 HD1 PHE A 119 11.002 9.737 10.814 1.00 20.23 H new ATOM 0 HD2 PHE A 119 7.415 10.357 13.035 1.00 21.32 H new ATOM 0 HE1 PHE A 119 10.048 10.986 8.927 1.00 42.44 H new ATOM 0 HE2 PHE A 119 6.464 11.611 11.149 1.00 54.44 H new ATOM 0 HZ PHE A 119 7.776 11.920 9.089 1.00 73.32 H new ATOM 1848 N LYS A 120 10.554 5.623 14.088 1.00 50.23 N ATOM 1849 CA LYS A 120 11.239 4.799 15.089 1.00 33.13 C ATOM 1850 C LYS A 120 12.756 4.799 14.857 1.00 30.41 C ATOM 1851 O LYS A 120 13.535 4.831 15.810 1.00 64.21 O ATOM 1852 CB LYS A 120 10.692 3.365 15.052 1.00 42.31 C ATOM 1853 CG LYS A 120 11.347 2.421 16.060 1.00 32.21 C ATOM 1854 CD LYS A 120 10.620 1.082 16.146 1.00 1.11 C ATOM 1855 CE LYS A 120 10.611 0.340 14.814 1.00 3.13 C ATOM 1856 NZ LYS A 120 9.792 -0.902 14.875 1.00 4.15 N ATOM 0 H LYS A 120 10.234 5.105 13.270 1.00 50.23 H new ATOM 0 HA LYS A 120 11.050 5.226 16.074 1.00 33.13 H new ATOM 0 HB2 LYS A 120 9.619 3.392 15.240 1.00 42.31 H new ATOM 0 HB3 LYS A 120 10.830 2.961 14.049 1.00 42.31 H new ATOM 0 HG2 LYS A 120 12.386 2.252 15.776 1.00 32.21 H new ATOM 0 HG3 LYS A 120 11.358 2.891 17.043 1.00 32.21 H new ATOM 0 HD2 LYS A 120 11.098 0.460 16.902 1.00 1.11 H new ATOM 0 HD3 LYS A 120 9.594 1.249 16.473 1.00 1.11 H new ATOM 0 HE2 LYS A 120 10.219 0.995 14.036 1.00 3.13 H new ATOM 0 HE3 LYS A 120 11.633 0.087 14.533 1.00 3.13 H new ATOM 0 HZ1 LYS A 120 9.812 -1.377 13.950 1.00 4.15 H new ATOM 0 HZ2 LYS A 120 10.181 -1.539 15.599 1.00 4.15 H new ATOM 0 HZ3 LYS A 120 8.811 -0.659 15.118 1.00 4.15 H new ATOM 1870 N THR A 121 13.158 4.759 13.581 1.00 64.54 N ATOM 1871 CA THR A 121 14.577 4.803 13.185 1.00 22.00 C ATOM 1872 C THR A 121 15.400 3.660 13.809 1.00 11.32 C ATOM 1873 O THR A 121 15.765 3.703 14.986 1.00 61.31 O ATOM 1874 CB THR A 121 15.224 6.171 13.538 1.00 3.33 C ATOM 1875 OG1 THR A 121 14.553 7.223 12.827 1.00 23.21 O ATOM 1876 CG2 THR A 121 16.709 6.196 13.191 1.00 51.45 C ATOM 0 H THR A 121 12.513 4.695 12.793 1.00 64.54 H new ATOM 0 HA THR A 121 14.592 4.673 12.103 1.00 22.00 H new ATOM 0 HB THR A 121 15.122 6.320 14.613 1.00 3.33 H new ATOM 0 HG1 THR A 121 14.963 8.084 13.054 1.00 23.21 H new ATOM 0 HG21 THR A 121 17.127 7.168 13.452 1.00 51.45 H new ATOM 0 HG22 THR A 121 17.226 5.416 13.750 1.00 51.45 H new ATOM 0 HG23 THR A 121 16.836 6.021 12.123 1.00 51.45 H new ATOM 1884 N THR A 122 15.687 2.634 13.004 1.00 12.35 N ATOM 1885 CA THR A 122 16.470 1.471 13.465 1.00 43.13 C ATOM 1886 C THR A 122 17.494 1.008 12.405 1.00 50.21 C ATOM 1887 O THR A 122 17.167 0.129 11.571 1.00 38.33 O ATOM 1888 CB THR A 122 15.549 0.287 13.880 1.00 53.33 C ATOM 1889 OG1 THR A 122 16.321 -0.913 14.050 1.00 64.32 O ATOM 1890 CG2 THR A 122 14.432 0.051 12.861 1.00 74.40 C ATOM 1891 OXT THR A 122 18.622 1.544 12.403 1.00 38.33 O ATOM 0 H THR A 122 15.392 2.579 12.029 1.00 12.35 H new ATOM 0 HA THR A 122 17.023 1.799 14.345 1.00 43.13 H new ATOM 0 HB THR A 122 15.084 0.553 14.829 1.00 53.33 H new ATOM 0 HG1 THR A 122 15.729 -1.648 14.312 1.00 64.32 H new ATOM 0 HG21 THR A 122 13.812 -0.784 13.188 1.00 74.40 H new ATOM 0 HG22 THR A 122 13.819 0.948 12.779 1.00 74.40 H new ATOM 0 HG23 THR A 122 14.869 -0.180 11.889 1.00 74.40 H new TER 1899 THR A 122