USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 724 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 34 GLN : amide:sc= 0.181 K(o=-3.2,f=-0.58) USER MOD Set 1.2: A 36 GLN : amide:sc= -3.36! K(o=-3.2!,f=-0.11) USER MOD Set 2.1: A 26 SER OG : rot 119:sc= -1.28 USER MOD Set 2.2: A 48 THR OG1 : rot 129:sc= 0.108 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 SER OG : rot -70:sc= 0.374 USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0.452 (180deg=0.426) USER MOD Single : A 10 GLN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -118:sc= -0.516 (180deg=-2.2!) USER MOD Single : A 13 GLN : amide:sc= -0.833 K(o=-0.83,f=-0.004) USER MOD Single : A 16 LYS NZ :NH3+ 135:sc= 0.0788 (180deg=-0.179) USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= -0.335 (180deg=-1.79!) USER MOD Single : A 22 GLN : amide:sc= -2.01 K(o=-2,f=-0.52) USER MOD Single : A 23 SER OG : rot -160:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0329) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= 0.989 (180deg=0.499) USER MOD Single : A 38 ASN : amide:sc= -0.451 K(o=-0.45,f=-1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0094) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -4.52! K(o=-4.5!,f=-0.87) USER MOD Single : A 55 TYR OH : rot 141:sc= -0.0615 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.0854 X(o=0.085,f=-0.37) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0.324 (180deg=0.264) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 36:sc= 0.218 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.15) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc=-0.00992 X(o=-0.0099,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.434 X(o=-0.43,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.227 -2.739 8.159 1.00 0.00 N ATOM 2 CA MET A 1 -22.546 -3.418 7.033 1.00 52.33 C ATOM 3 C MET A 1 -21.023 -3.193 7.127 1.00 21.35 C ATOM 4 O MET A 1 -20.570 -2.064 6.916 1.00 13.22 O ATOM 5 CB MET A 1 -23.110 -2.885 5.685 1.00 72.21 C ATOM 6 CG MET A 1 -22.509 -3.510 4.410 1.00 11.03 C ATOM 7 SD MET A 1 -23.309 -2.923 2.894 1.00 65.41 S ATOM 8 CE MET A 1 -22.418 -3.849 1.640 1.00 1.10 C ATOM 0 H1 MET A 1 -24.253 -2.895 8.089 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.879 -3.126 9.059 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.029 -1.719 8.120 1.00 0.00 H new ATOM 0 HA MET A 1 -22.733 -4.491 7.084 1.00 52.33 H new ATOM 0 HB2 MET A 1 -24.187 -3.049 5.674 1.00 72.21 H new ATOM 0 HB3 MET A 1 -22.951 -1.807 5.648 1.00 72.21 H new ATOM 0 HG2 MET A 1 -21.444 -3.280 4.366 1.00 11.03 H new ATOM 0 HG3 MET A 1 -22.599 -4.595 4.466 1.00 11.03 H new ATOM 0 HE1 MET A 1 -22.803 -3.590 0.654 1.00 1.10 H new ATOM 0 HE2 MET A 1 -21.357 -3.603 1.691 1.00 1.10 H new ATOM 0 HE3 MET A 1 -22.552 -4.917 1.813 1.00 1.10 H new ATOM 20 N PRO A 2 -20.213 -4.246 7.508 1.00 22.11 N ATOM 21 CA PRO A 2 -18.728 -4.188 7.453 1.00 71.43 C ATOM 22 C PRO A 2 -18.202 -3.833 6.039 1.00 1.40 C ATOM 23 O PRO A 2 -18.015 -4.702 5.178 1.00 75.53 O ATOM 24 CB PRO A 2 -18.291 -5.613 7.893 1.00 61.24 C ATOM 25 CG PRO A 2 -19.432 -6.119 8.725 1.00 62.24 C ATOM 26 CD PRO A 2 -20.678 -5.549 8.079 1.00 20.24 C ATOM 0 HA PRO A 2 -18.320 -3.404 8.092 1.00 71.43 H new ATOM 0 HB2 PRO A 2 -18.113 -6.257 7.032 1.00 61.24 H new ATOM 0 HB3 PRO A 2 -17.365 -5.584 8.466 1.00 61.24 H new ATOM 0 HG2 PRO A 2 -19.458 -7.209 8.737 1.00 62.24 H new ATOM 0 HG3 PRO A 2 -19.340 -5.791 9.760 1.00 62.24 H new ATOM 0 HD2 PRO A 2 -21.067 -6.210 7.305 1.00 20.24 H new ATOM 0 HD3 PRO A 2 -21.477 -5.406 8.806 1.00 20.24 H new ATOM 34 N SER A 3 -18.032 -2.530 5.817 1.00 55.31 N ATOM 35 CA SER A 3 -17.601 -1.941 4.542 1.00 11.45 C ATOM 36 C SER A 3 -16.381 -1.040 4.779 1.00 3.44 C ATOM 37 O SER A 3 -15.341 -1.205 4.140 1.00 43.41 O ATOM 38 CB SER A 3 -18.789 -1.145 3.948 1.00 4.20 C ATOM 39 OG SER A 3 -19.309 -0.213 4.886 1.00 11.21 O ATOM 0 H SER A 3 -18.195 -1.830 6.541 1.00 55.31 H new ATOM 0 HA SER A 3 -17.307 -2.716 3.835 1.00 11.45 H new ATOM 0 HB2 SER A 3 -18.464 -0.618 3.051 1.00 4.20 H new ATOM 0 HB3 SER A 3 -19.576 -1.835 3.644 1.00 4.20 H new ATOM 0 HG SER A 3 -19.770 -0.695 5.605 1.00 11.21 H new ATOM 45 N GLU A 4 -16.531 -0.129 5.762 1.00 64.01 N ATOM 46 CA GLU A 4 -15.502 0.851 6.177 1.00 1.41 C ATOM 47 C GLU A 4 -14.207 0.171 6.668 1.00 63.45 C ATOM 48 O GLU A 4 -13.109 0.670 6.429 1.00 63.34 O ATOM 49 CB GLU A 4 -16.072 1.798 7.281 1.00 13.50 C ATOM 50 CG GLU A 4 -16.363 1.153 8.666 1.00 43.34 C ATOM 51 CD GLU A 4 -17.516 0.129 8.665 1.00 70.43 C ATOM 52 OE1 GLU A 4 -17.282 -1.069 8.380 1.00 61.14 O ATOM 53 OE2 GLU A 4 -18.669 0.522 8.927 1.00 2.10 O ATOM 0 H GLU A 4 -17.392 -0.051 6.304 1.00 64.01 H new ATOM 0 HA GLU A 4 -15.241 1.438 5.297 1.00 1.41 H new ATOM 0 HB2 GLU A 4 -15.366 2.616 7.427 1.00 13.50 H new ATOM 0 HB3 GLU A 4 -16.997 2.238 6.909 1.00 13.50 H new ATOM 0 HG2 GLU A 4 -15.457 0.661 9.021 1.00 43.34 H new ATOM 0 HG3 GLU A 4 -16.597 1.944 9.379 1.00 43.34 H new ATOM 60 N GLU A 5 -14.347 -0.971 7.364 1.00 32.42 N ATOM 61 CA GLU A 5 -13.197 -1.764 7.828 1.00 4.54 C ATOM 62 C GLU A 5 -12.699 -2.696 6.718 1.00 42.32 C ATOM 63 O GLU A 5 -11.495 -2.917 6.593 1.00 25.24 O ATOM 64 CB GLU A 5 -13.557 -2.571 9.102 1.00 3.13 C ATOM 65 CG GLU A 5 -13.564 -1.741 10.401 1.00 13.42 C ATOM 66 CD GLU A 5 -12.175 -1.150 10.738 1.00 53.22 C ATOM 67 OE1 GLU A 5 -11.935 0.051 10.489 1.00 24.44 O ATOM 68 OE2 GLU A 5 -11.305 -1.905 11.232 1.00 54.45 O ATOM 0 H GLU A 5 -15.252 -1.367 7.618 1.00 32.42 H new ATOM 0 HA GLU A 5 -12.392 -1.074 8.083 1.00 4.54 H new ATOM 0 HB2 GLU A 5 -14.541 -3.020 8.967 1.00 3.13 H new ATOM 0 HB3 GLU A 5 -12.846 -3.389 9.212 1.00 3.13 H new ATOM 0 HG2 GLU A 5 -14.286 -0.930 10.306 1.00 13.42 H new ATOM 0 HG3 GLU A 5 -13.897 -2.369 11.227 1.00 13.42 H new ATOM 75 N GLU A 6 -13.643 -3.209 5.897 1.00 24.11 N ATOM 76 CA GLU A 6 -13.346 -4.126 4.783 1.00 63.11 C ATOM 77 C GLU A 6 -12.433 -3.453 3.733 1.00 24.51 C ATOM 78 O GLU A 6 -11.639 -4.133 3.073 1.00 53.52 O ATOM 79 CB GLU A 6 -14.655 -4.626 4.126 1.00 12.15 C ATOM 80 CG GLU A 6 -14.431 -5.582 2.934 1.00 51.04 C ATOM 81 CD GLU A 6 -15.724 -6.131 2.336 1.00 73.30 C ATOM 82 OE1 GLU A 6 -16.453 -5.375 1.679 1.00 71.15 O ATOM 83 OE2 GLU A 6 -16.012 -7.329 2.503 1.00 63.32 O ATOM 0 H GLU A 6 -14.636 -2.995 5.993 1.00 24.11 H new ATOM 0 HA GLU A 6 -12.812 -4.985 5.189 1.00 63.11 H new ATOM 0 HB2 GLU A 6 -15.257 -5.135 4.879 1.00 12.15 H new ATOM 0 HB3 GLU A 6 -15.231 -3.765 3.786 1.00 12.15 H new ATOM 0 HG2 GLU A 6 -13.876 -5.056 2.157 1.00 51.04 H new ATOM 0 HG3 GLU A 6 -13.809 -6.416 3.260 1.00 51.04 H new ATOM 90 N GLU A 7 -12.557 -2.100 3.623 1.00 44.34 N ATOM 91 CA GLU A 7 -11.688 -1.254 2.775 1.00 61.04 C ATOM 92 C GLU A 7 -10.222 -1.602 3.014 1.00 45.43 C ATOM 93 O GLU A 7 -9.525 -1.987 2.093 1.00 52.13 O ATOM 94 CB GLU A 7 -11.878 0.247 3.094 1.00 44.12 C ATOM 95 CG GLU A 7 -13.288 0.808 2.909 1.00 63.45 C ATOM 96 CD GLU A 7 -13.328 2.309 3.186 1.00 33.55 C ATOM 97 OE1 GLU A 7 -13.629 3.098 2.277 1.00 24.45 O ATOM 98 OE2 GLU A 7 -13.019 2.714 4.321 1.00 34.42 O ATOM 0 H GLU A 7 -13.269 -1.569 4.126 1.00 44.34 H new ATOM 0 HA GLU A 7 -11.966 -1.443 1.738 1.00 61.04 H new ATOM 0 HB2 GLU A 7 -11.575 0.418 4.127 1.00 44.12 H new ATOM 0 HB3 GLU A 7 -11.197 0.819 2.464 1.00 44.12 H new ATOM 0 HG2 GLU A 7 -13.628 0.614 1.892 1.00 63.45 H new ATOM 0 HG3 GLU A 7 -13.977 0.294 3.579 1.00 63.45 H new ATOM 105 N LYS A 8 -9.839 -1.559 4.305 1.00 2.24 N ATOM 106 CA LYS A 8 -8.460 -1.770 4.771 1.00 12.34 C ATOM 107 C LYS A 8 -7.947 -3.138 4.277 1.00 12.21 C ATOM 108 O LYS A 8 -6.873 -3.226 3.707 1.00 72.45 O ATOM 109 CB LYS A 8 -8.379 -1.688 6.336 1.00 30.14 C ATOM 110 CG LYS A 8 -8.547 -0.273 6.974 1.00 22.21 C ATOM 111 CD LYS A 8 -9.907 0.398 6.673 1.00 1.30 C ATOM 112 CE LYS A 8 -10.064 1.787 7.313 1.00 74.51 C ATOM 113 NZ LYS A 8 -10.127 1.733 8.797 1.00 34.44 N ATOM 0 H LYS A 8 -10.494 -1.373 5.065 1.00 2.24 H new ATOM 0 HA LYS A 8 -7.829 -0.982 4.360 1.00 12.34 H new ATOM 0 HB2 LYS A 8 -9.146 -2.342 6.751 1.00 30.14 H new ATOM 0 HB3 LYS A 8 -7.415 -2.090 6.648 1.00 30.14 H new ATOM 0 HG2 LYS A 8 -8.426 -0.357 8.054 1.00 22.21 H new ATOM 0 HG3 LYS A 8 -7.747 0.374 6.613 1.00 22.21 H new ATOM 0 HD2 LYS A 8 -10.026 0.489 5.593 1.00 1.30 H new ATOM 0 HD3 LYS A 8 -10.709 -0.249 7.029 1.00 1.30 H new ATOM 0 HE2 LYS A 8 -9.227 2.417 7.012 1.00 74.51 H new ATOM 0 HE3 LYS A 8 -10.971 2.257 6.932 1.00 74.51 H new ATOM 0 HZ1 LYS A 8 -10.368 2.674 9.169 1.00 34.44 H new ATOM 0 HZ2 LYS A 8 -10.854 1.049 9.089 1.00 34.44 H new ATOM 0 HZ3 LYS A 8 -9.203 1.438 9.173 1.00 34.44 H new ATOM 127 N ARG A 9 -8.802 -4.172 4.418 1.00 72.31 N ATOM 128 CA ARG A 9 -8.474 -5.575 4.058 1.00 32.40 C ATOM 129 C ARG A 9 -8.189 -5.717 2.538 1.00 11.44 C ATOM 130 O ARG A 9 -7.270 -6.443 2.130 1.00 51.24 O ATOM 131 CB ARG A 9 -9.620 -6.535 4.517 1.00 75.02 C ATOM 132 CG ARG A 9 -9.663 -6.848 6.047 1.00 74.24 C ATOM 133 CD ARG A 9 -9.949 -5.627 6.949 1.00 51.35 C ATOM 134 NE ARG A 9 -9.926 -5.952 8.386 1.00 63.02 N ATOM 135 CZ ARG A 9 -10.030 -5.055 9.387 1.00 20.30 C ATOM 136 NH1 ARG A 9 -10.172 -3.746 9.141 1.00 71.25 N ATOM 137 NH2 ARG A 9 -9.995 -5.485 10.643 1.00 4.51 N ATOM 0 H ARG A 9 -9.746 -4.060 4.787 1.00 72.31 H new ATOM 0 HA ARG A 9 -7.562 -5.859 4.583 1.00 32.40 H new ATOM 0 HB2 ARG A 9 -10.575 -6.097 4.226 1.00 75.02 H new ATOM 0 HB3 ARG A 9 -9.522 -7.475 3.974 1.00 75.02 H new ATOM 0 HG2 ARG A 9 -10.428 -7.603 6.228 1.00 74.24 H new ATOM 0 HG3 ARG A 9 -8.709 -7.284 6.342 1.00 74.24 H new ATOM 0 HD2 ARG A 9 -9.210 -4.852 6.746 1.00 51.35 H new ATOM 0 HD3 ARG A 9 -10.924 -5.213 6.692 1.00 51.35 H new ATOM 0 HE ARG A 9 -9.823 -6.934 8.644 1.00 63.02 H new ATOM 0 HH11 ARG A 9 -10.204 -3.408 8.179 1.00 71.25 H new ATOM 0 HH12 ARG A 9 -10.249 -3.087 9.916 1.00 71.25 H new ATOM 0 HH21 ARG A 9 -9.891 -6.481 10.838 1.00 4.51 H new ATOM 0 HH22 ARG A 9 -10.072 -4.820 11.412 1.00 4.51 H new ATOM 151 N GLN A 10 -8.966 -4.974 1.729 1.00 41.30 N ATOM 152 CA GLN A 10 -8.842 -4.963 0.256 1.00 40.12 C ATOM 153 C GLN A 10 -7.603 -4.157 -0.186 1.00 4.03 C ATOM 154 O GLN A 10 -6.828 -4.608 -1.026 1.00 2.34 O ATOM 155 CB GLN A 10 -10.127 -4.350 -0.375 1.00 51.41 C ATOM 156 CG GLN A 10 -11.436 -5.087 -0.018 1.00 51.04 C ATOM 157 CD GLN A 10 -12.673 -4.346 -0.512 1.00 32.12 C ATOM 158 OE1 GLN A 10 -13.162 -4.576 -1.621 1.00 11.24 O ATOM 159 NE2 GLN A 10 -13.163 -3.413 0.298 1.00 55.01 N ATOM 0 H GLN A 10 -9.702 -4.360 2.079 1.00 41.30 H new ATOM 0 HA GLN A 10 -8.722 -5.990 -0.089 1.00 40.12 H new ATOM 0 HB2 GLN A 10 -10.212 -3.311 -0.056 1.00 51.41 H new ATOM 0 HB3 GLN A 10 -10.015 -4.342 -1.459 1.00 51.41 H new ATOM 0 HG2 GLN A 10 -11.417 -6.087 -0.452 1.00 51.04 H new ATOM 0 HG3 GLN A 10 -11.497 -5.210 1.063 1.00 51.04 H new ATOM 0 HE21 GLN A 10 -12.732 -3.251 1.208 1.00 55.01 H new ATOM 0 HE22 GLN A 10 -13.970 -2.859 0.009 1.00 55.01 H new ATOM 168 N VAL A 11 -7.418 -2.981 0.437 1.00 4.24 N ATOM 169 CA VAL A 11 -6.441 -1.963 0.011 1.00 2.34 C ATOM 170 C VAL A 11 -4.998 -2.338 0.401 1.00 10.13 C ATOM 171 O VAL A 11 -4.060 -2.008 -0.325 1.00 63.14 O ATOM 172 CB VAL A 11 -6.841 -0.559 0.593 1.00 32.03 C ATOM 173 CG1 VAL A 11 -5.803 0.526 0.281 1.00 43.24 C ATOM 174 CG2 VAL A 11 -8.215 -0.126 0.052 1.00 4.54 C ATOM 0 H VAL A 11 -7.950 -2.706 1.263 1.00 4.24 H new ATOM 0 HA VAL A 11 -6.464 -1.914 -1.078 1.00 2.34 H new ATOM 0 HB VAL A 11 -6.886 -0.671 1.676 1.00 32.03 H new ATOM 0 HG11 VAL A 11 -6.130 1.475 0.706 1.00 43.24 H new ATOM 0 HG12 VAL A 11 -4.843 0.246 0.714 1.00 43.24 H new ATOM 0 HG13 VAL A 11 -5.698 0.629 -0.799 1.00 43.24 H new ATOM 0 HG21 VAL A 11 -8.478 0.848 0.464 1.00 4.54 H new ATOM 0 HG22 VAL A 11 -8.174 -0.061 -1.035 1.00 4.54 H new ATOM 0 HG23 VAL A 11 -8.968 -0.858 0.343 1.00 4.54 H new ATOM 184 N LYS A 12 -4.829 -3.035 1.545 1.00 65.54 N ATOM 185 CA LYS A 12 -3.518 -3.589 1.960 1.00 62.31 C ATOM 186 C LYS A 12 -3.028 -4.602 0.911 1.00 4.14 C ATOM 187 O LYS A 12 -1.835 -4.656 0.603 1.00 34.20 O ATOM 188 CB LYS A 12 -3.609 -4.277 3.344 1.00 25.11 C ATOM 189 CG LYS A 12 -3.925 -3.338 4.527 1.00 14.01 C ATOM 190 CD LYS A 12 -4.078 -4.075 5.888 1.00 74.45 C ATOM 191 CE LYS A 12 -5.174 -5.168 5.915 1.00 64.12 C ATOM 192 NZ LYS A 12 -4.736 -6.466 5.318 1.00 3.32 N ATOM 0 H LYS A 12 -5.586 -3.229 2.201 1.00 65.54 H new ATOM 0 HA LYS A 12 -2.811 -2.763 2.037 1.00 62.31 H new ATOM 0 HB2 LYS A 12 -4.378 -5.048 3.298 1.00 25.11 H new ATOM 0 HB3 LYS A 12 -2.663 -4.781 3.544 1.00 25.11 H new ATOM 0 HG2 LYS A 12 -3.131 -2.597 4.613 1.00 14.01 H new ATOM 0 HG3 LYS A 12 -4.846 -2.795 4.312 1.00 14.01 H new ATOM 0 HD2 LYS A 12 -3.123 -4.532 6.147 1.00 74.45 H new ATOM 0 HD3 LYS A 12 -4.300 -3.339 6.661 1.00 74.45 H new ATOM 0 HE2 LYS A 12 -5.482 -5.337 6.947 1.00 64.12 H new ATOM 0 HE3 LYS A 12 -6.050 -4.807 5.376 1.00 64.12 H new ATOM 0 HZ1 LYS A 12 -5.329 -6.686 4.492 1.00 3.32 H new ATOM 0 HZ2 LYS A 12 -3.742 -6.394 5.021 1.00 3.32 H new ATOM 0 HZ3 LYS A 12 -4.832 -7.223 6.025 1.00 3.32 H new ATOM 206 N GLN A 13 -3.991 -5.379 0.365 1.00 3.51 N ATOM 207 CA GLN A 13 -3.726 -6.343 -0.713 1.00 13.13 C ATOM 208 C GLN A 13 -3.346 -5.599 -2.008 1.00 52.45 C ATOM 209 O GLN A 13 -2.293 -5.857 -2.568 1.00 71.34 O ATOM 210 CB GLN A 13 -4.945 -7.273 -0.942 1.00 43.24 C ATOM 211 CG GLN A 13 -4.751 -8.317 -2.063 1.00 54.42 C ATOM 212 CD GLN A 13 -6.011 -9.124 -2.392 1.00 34.45 C ATOM 213 OE1 GLN A 13 -5.932 -10.292 -2.781 1.00 64.20 O ATOM 214 NE2 GLN A 13 -7.187 -8.505 -2.270 1.00 51.45 N ATOM 0 H GLN A 13 -4.967 -5.352 0.661 1.00 3.51 H new ATOM 0 HA GLN A 13 -2.886 -6.971 -0.416 1.00 13.13 H new ATOM 0 HB2 GLN A 13 -5.168 -7.795 -0.011 1.00 43.24 H new ATOM 0 HB3 GLN A 13 -5.814 -6.660 -1.180 1.00 43.24 H new ATOM 0 HG2 GLN A 13 -4.414 -7.807 -2.965 1.00 54.42 H new ATOM 0 HG3 GLN A 13 -3.958 -9.005 -1.770 1.00 54.42 H new ATOM 0 HE21 GLN A 13 -7.223 -7.539 -1.946 1.00 51.45 H new ATOM 0 HE22 GLN A 13 -8.049 -8.998 -2.501 1.00 51.45 H new ATOM 223 N VAL A 14 -4.183 -4.625 -2.428 1.00 73.14 N ATOM 224 CA VAL A 14 -3.945 -3.820 -3.653 1.00 2.41 C ATOM 225 C VAL A 14 -2.551 -3.151 -3.603 1.00 24.34 C ATOM 226 O VAL A 14 -1.818 -3.132 -4.594 1.00 43.13 O ATOM 227 CB VAL A 14 -5.075 -2.728 -3.840 1.00 62.52 C ATOM 228 CG1 VAL A 14 -4.785 -1.766 -5.020 1.00 44.13 C ATOM 229 CG2 VAL A 14 -6.468 -3.387 -4.005 1.00 40.23 C ATOM 0 H VAL A 14 -5.039 -4.373 -1.933 1.00 73.14 H new ATOM 0 HA VAL A 14 -3.976 -4.493 -4.510 1.00 2.41 H new ATOM 0 HB VAL A 14 -5.078 -2.128 -2.930 1.00 62.52 H new ATOM 0 HG11 VAL A 14 -5.592 -1.038 -5.103 1.00 44.13 H new ATOM 0 HG12 VAL A 14 -3.844 -1.246 -4.843 1.00 44.13 H new ATOM 0 HG13 VAL A 14 -4.715 -2.337 -5.946 1.00 44.13 H new ATOM 0 HG21 VAL A 14 -7.224 -2.612 -4.132 1.00 40.23 H new ATOM 0 HG22 VAL A 14 -6.462 -4.035 -4.881 1.00 40.23 H new ATOM 0 HG23 VAL A 14 -6.698 -3.978 -3.118 1.00 40.23 H new ATOM 239 N ALA A 15 -2.190 -2.671 -2.412 1.00 22.24 N ATOM 240 CA ALA A 15 -0.923 -1.981 -2.164 1.00 33.22 C ATOM 241 C ALA A 15 0.293 -2.924 -2.321 1.00 74.11 C ATOM 242 O ALA A 15 1.252 -2.593 -3.041 1.00 14.25 O ATOM 243 CB ALA A 15 -0.949 -1.356 -0.765 1.00 23.15 C ATOM 0 H ALA A 15 -2.777 -2.752 -1.582 1.00 22.24 H new ATOM 0 HA ALA A 15 -0.811 -1.196 -2.912 1.00 33.22 H new ATOM 0 HB1 ALA A 15 -0.006 -0.842 -0.579 1.00 23.15 H new ATOM 0 HB2 ALA A 15 -1.770 -0.642 -0.700 1.00 23.15 H new ATOM 0 HB3 ALA A 15 -1.089 -2.139 -0.019 1.00 23.15 H new ATOM 249 N LYS A 16 0.210 -4.111 -1.682 1.00 71.21 N ATOM 250 CA LYS A 16 1.328 -5.073 -1.626 1.00 2.12 C ATOM 251 C LYS A 16 1.573 -5.737 -2.981 1.00 63.41 C ATOM 252 O LYS A 16 2.724 -5.973 -3.333 1.00 23.42 O ATOM 253 CB LYS A 16 1.100 -6.139 -0.518 1.00 23.42 C ATOM 254 CG LYS A 16 -0.103 -7.079 -0.726 1.00 22.35 C ATOM 255 CD LYS A 16 -0.294 -8.113 0.411 1.00 72.23 C ATOM 256 CE LYS A 16 0.700 -9.278 0.323 1.00 31.43 C ATOM 257 NZ LYS A 16 0.496 -10.067 -0.925 1.00 41.32 N ATOM 0 H LYS A 16 -0.628 -4.426 -1.194 1.00 71.21 H new ATOM 0 HA LYS A 16 2.225 -4.508 -1.371 1.00 2.12 H new ATOM 0 HB2 LYS A 16 2.001 -6.747 -0.435 1.00 23.42 H new ATOM 0 HB3 LYS A 16 0.974 -5.624 0.434 1.00 23.42 H new ATOM 0 HG2 LYS A 16 -1.009 -6.480 -0.815 1.00 22.35 H new ATOM 0 HG3 LYS A 16 0.022 -7.610 -1.670 1.00 22.35 H new ATOM 0 HD2 LYS A 16 -0.179 -7.614 1.373 1.00 72.23 H new ATOM 0 HD3 LYS A 16 -1.311 -8.504 0.374 1.00 72.23 H new ATOM 0 HE2 LYS A 16 1.719 -8.893 0.350 1.00 31.43 H new ATOM 0 HE3 LYS A 16 0.581 -9.927 1.190 1.00 31.43 H new ATOM 0 HZ1 LYS A 16 1.417 -10.264 -1.366 1.00 41.32 H new ATOM 0 HZ2 LYS A 16 0.023 -10.964 -0.695 1.00 41.32 H new ATOM 0 HZ3 LYS A 16 -0.095 -9.524 -1.586 1.00 41.32 H new ATOM 271 N GLU A 17 0.489 -5.988 -3.756 1.00 0.54 N ATOM 272 CA GLU A 17 0.589 -6.638 -5.078 1.00 62.32 C ATOM 273 C GLU A 17 1.432 -5.786 -6.037 1.00 52.32 C ATOM 274 O GLU A 17 2.304 -6.309 -6.734 1.00 52.34 O ATOM 275 CB GLU A 17 -0.809 -6.899 -5.694 1.00 4.52 C ATOM 276 CG GLU A 17 -1.724 -7.823 -4.869 1.00 61.24 C ATOM 277 CD GLU A 17 -1.121 -9.205 -4.572 1.00 45.21 C ATOM 278 OE1 GLU A 17 -0.566 -9.413 -3.468 1.00 1.22 O ATOM 279 OE2 GLU A 17 -1.203 -10.100 -5.445 1.00 34.11 O ATOM 0 H GLU A 17 -0.464 -5.748 -3.484 1.00 0.54 H new ATOM 0 HA GLU A 17 1.079 -7.601 -4.930 1.00 62.32 H new ATOM 0 HB2 GLU A 17 -1.313 -5.942 -5.831 1.00 4.52 H new ATOM 0 HB3 GLU A 17 -0.677 -7.334 -6.685 1.00 4.52 H new ATOM 0 HG2 GLU A 17 -1.961 -7.332 -3.925 1.00 61.24 H new ATOM 0 HG3 GLU A 17 -2.664 -7.957 -5.404 1.00 61.24 H new ATOM 286 N LYS A 18 1.185 -4.464 -6.016 1.00 70.23 N ATOM 287 CA LYS A 18 1.914 -3.495 -6.851 1.00 71.23 C ATOM 288 C LYS A 18 3.404 -3.467 -6.449 1.00 11.41 C ATOM 289 O LYS A 18 4.286 -3.477 -7.311 1.00 73.42 O ATOM 290 CB LYS A 18 1.280 -2.090 -6.714 1.00 24.32 C ATOM 291 CG LYS A 18 -0.233 -2.033 -7.031 1.00 31.00 C ATOM 292 CD LYS A 18 -0.625 -2.382 -8.497 1.00 0.31 C ATOM 293 CE LYS A 18 -0.422 -1.215 -9.487 1.00 61.23 C ATOM 294 NZ LYS A 18 1.010 -0.902 -9.729 1.00 33.01 N ATOM 0 H LYS A 18 0.475 -4.039 -5.420 1.00 70.23 H new ATOM 0 HA LYS A 18 1.845 -3.800 -7.895 1.00 71.23 H new ATOM 0 HB2 LYS A 18 1.439 -1.732 -5.697 1.00 24.32 H new ATOM 0 HB3 LYS A 18 1.803 -1.403 -7.379 1.00 24.32 H new ATOM 0 HG2 LYS A 18 -0.753 -2.718 -6.362 1.00 31.00 H new ATOM 0 HG3 LYS A 18 -0.596 -1.030 -6.805 1.00 31.00 H new ATOM 0 HD2 LYS A 18 -0.034 -3.235 -8.829 1.00 0.31 H new ATOM 0 HD3 LYS A 18 -1.670 -2.690 -8.521 1.00 0.31 H new ATOM 0 HE2 LYS A 18 -0.899 -1.463 -10.435 1.00 61.23 H new ATOM 0 HE3 LYS A 18 -0.922 -0.327 -9.101 1.00 61.23 H new ATOM 0 HZ1 LYS A 18 1.133 -0.573 -10.708 1.00 33.01 H new ATOM 0 HZ2 LYS A 18 1.318 -0.157 -9.072 1.00 33.01 H new ATOM 0 HZ3 LYS A 18 1.583 -1.757 -9.576 1.00 33.01 H new ATOM 308 N LEU A 19 3.651 -3.481 -5.121 1.00 52.42 N ATOM 309 CA LEU A 19 5.010 -3.512 -4.538 1.00 0.02 C ATOM 310 C LEU A 19 5.784 -4.795 -4.908 1.00 14.23 C ATOM 311 O LEU A 19 6.999 -4.746 -5.104 1.00 13.03 O ATOM 312 CB LEU A 19 4.942 -3.362 -2.992 1.00 22.23 C ATOM 313 CG LEU A 19 4.450 -1.984 -2.450 1.00 75.32 C ATOM 314 CD1 LEU A 19 4.597 -1.921 -0.920 1.00 22.52 C ATOM 315 CD2 LEU A 19 5.199 -0.822 -3.131 1.00 54.22 C ATOM 0 H LEU A 19 2.910 -3.471 -4.420 1.00 52.42 H new ATOM 0 HA LEU A 19 5.554 -2.669 -4.964 1.00 0.02 H new ATOM 0 HB2 LEU A 19 4.283 -4.138 -2.602 1.00 22.23 H new ATOM 0 HB3 LEU A 19 5.935 -3.554 -2.586 1.00 22.23 H new ATOM 0 HG LEU A 19 3.392 -1.880 -2.692 1.00 75.32 H new ATOM 0 HD11 LEU A 19 4.249 -0.953 -0.561 1.00 22.52 H new ATOM 0 HD12 LEU A 19 4.002 -2.712 -0.464 1.00 22.52 H new ATOM 0 HD13 LEU A 19 5.645 -2.053 -0.649 1.00 22.52 H new ATOM 0 HD21 LEU A 19 4.837 0.126 -2.735 1.00 54.22 H new ATOM 0 HD22 LEU A 19 6.267 -0.913 -2.934 1.00 54.22 H new ATOM 0 HD23 LEU A 19 5.024 -0.857 -4.206 1.00 54.22 H new ATOM 327 N LEU A 20 5.063 -5.922 -5.010 1.00 52.25 N ATOM 328 CA LEU A 20 5.658 -7.246 -5.293 1.00 14.03 C ATOM 329 C LEU A 20 6.019 -7.399 -6.781 1.00 22.10 C ATOM 330 O LEU A 20 6.923 -8.168 -7.116 1.00 33.35 O ATOM 331 CB LEU A 20 4.688 -8.361 -4.821 1.00 35.51 C ATOM 332 CG LEU A 20 4.530 -8.487 -3.275 1.00 74.21 C ATOM 333 CD1 LEU A 20 3.367 -9.431 -2.901 1.00 40.34 C ATOM 334 CD2 LEU A 20 5.860 -8.932 -2.635 1.00 32.32 C ATOM 0 H LEU A 20 4.049 -5.946 -4.899 1.00 52.25 H new ATOM 0 HA LEU A 20 6.592 -7.337 -4.738 1.00 14.03 H new ATOM 0 HB2 LEU A 20 3.706 -8.176 -5.257 1.00 35.51 H new ATOM 0 HB3 LEU A 20 5.037 -9.316 -5.214 1.00 35.51 H new ATOM 0 HG LEU A 20 4.277 -7.505 -2.875 1.00 74.21 H new ATOM 0 HD11 LEU A 20 3.285 -9.496 -1.816 1.00 40.34 H new ATOM 0 HD12 LEU A 20 2.436 -9.042 -3.312 1.00 40.34 H new ATOM 0 HD13 LEU A 20 3.558 -10.423 -3.310 1.00 40.34 H new ATOM 0 HD21 LEU A 20 5.734 -9.016 -1.556 1.00 32.32 H new ATOM 0 HD22 LEU A 20 6.154 -9.899 -3.042 1.00 32.32 H new ATOM 0 HD23 LEU A 20 6.633 -8.196 -2.854 1.00 32.32 H new ATOM 346 N GLU A 21 5.314 -6.667 -7.662 1.00 11.12 N ATOM 347 CA GLU A 21 5.680 -6.590 -9.095 1.00 33.23 C ATOM 348 C GLU A 21 6.992 -5.789 -9.261 1.00 72.15 C ATOM 349 O GLU A 21 7.828 -6.120 -10.102 1.00 21.11 O ATOM 350 CB GLU A 21 4.539 -5.941 -9.928 1.00 32.51 C ATOM 351 CG GLU A 21 3.164 -6.635 -9.807 1.00 2.32 C ATOM 352 CD GLU A 21 3.165 -8.114 -10.248 1.00 12.51 C ATOM 353 OE1 GLU A 21 3.362 -9.009 -9.402 1.00 74.40 O ATOM 354 OE2 GLU A 21 2.961 -8.388 -11.449 1.00 40.13 O ATOM 0 H GLU A 21 4.490 -6.121 -7.412 1.00 11.12 H new ATOM 0 HA GLU A 21 5.832 -7.603 -9.467 1.00 33.23 H new ATOM 0 HB2 GLU A 21 4.432 -4.901 -9.621 1.00 32.51 H new ATOM 0 HB3 GLU A 21 4.834 -5.935 -10.977 1.00 32.51 H new ATOM 0 HG2 GLU A 21 2.829 -6.576 -8.772 1.00 2.32 H new ATOM 0 HG3 GLU A 21 2.438 -6.088 -10.409 1.00 2.32 H new ATOM 361 N GLN A 22 7.148 -4.747 -8.424 1.00 32.34 N ATOM 362 CA GLN A 22 8.341 -3.877 -8.391 1.00 71.02 C ATOM 363 C GLN A 22 9.520 -4.562 -7.666 1.00 40.35 C ATOM 364 O GLN A 22 10.687 -4.315 -7.988 1.00 20.51 O ATOM 365 CB GLN A 22 7.985 -2.541 -7.678 1.00 34.44 C ATOM 366 CG GLN A 22 6.814 -1.755 -8.321 1.00 22.15 C ATOM 367 CD GLN A 22 6.350 -0.531 -7.515 1.00 44.43 C ATOM 368 OE1 GLN A 22 5.879 0.458 -8.081 1.00 14.44 O ATOM 369 NE2 GLN A 22 6.441 -0.591 -6.190 1.00 34.21 N ATOM 0 H GLN A 22 6.439 -4.481 -7.741 1.00 32.34 H new ATOM 0 HA GLN A 22 8.651 -3.680 -9.417 1.00 71.02 H new ATOM 0 HB2 GLN A 22 7.734 -2.755 -6.639 1.00 34.44 H new ATOM 0 HB3 GLN A 22 8.869 -1.904 -7.667 1.00 34.44 H new ATOM 0 HG2 GLN A 22 7.116 -1.426 -9.315 1.00 22.15 H new ATOM 0 HG3 GLN A 22 5.968 -2.430 -8.452 1.00 22.15 H new ATOM 0 HE21 GLN A 22 6.834 -1.419 -5.743 1.00 34.21 H new ATOM 0 HE22 GLN A 22 6.118 0.191 -5.621 1.00 34.21 H new ATOM 378 N SER A 23 9.198 -5.415 -6.674 1.00 72.14 N ATOM 379 CA SER A 23 10.190 -6.065 -5.801 1.00 70.02 C ATOM 380 C SER A 23 9.699 -7.493 -5.409 1.00 22.22 C ATOM 381 O SER A 23 9.073 -7.669 -4.351 1.00 1.23 O ATOM 382 CB SER A 23 10.450 -5.188 -4.539 1.00 22.04 C ATOM 383 OG SER A 23 10.863 -3.863 -4.865 1.00 33.42 O ATOM 0 H SER A 23 8.235 -5.673 -6.456 1.00 72.14 H new ATOM 0 HA SER A 23 11.133 -6.167 -6.338 1.00 70.02 H new ATOM 0 HB2 SER A 23 9.541 -5.144 -3.939 1.00 22.04 H new ATOM 0 HB3 SER A 23 11.215 -5.662 -3.924 1.00 22.04 H new ATOM 0 HG SER A 23 11.310 -3.460 -4.091 1.00 33.42 H new ATOM 389 N PRO A 24 9.925 -8.526 -6.288 1.00 3.42 N ATOM 390 CA PRO A 24 9.555 -9.940 -5.996 1.00 24.54 C ATOM 391 C PRO A 24 10.533 -10.604 -4.999 1.00 64.41 C ATOM 392 O PRO A 24 10.179 -11.575 -4.325 1.00 54.33 O ATOM 393 CB PRO A 24 9.606 -10.608 -7.395 1.00 14.21 C ATOM 394 CG PRO A 24 10.646 -9.831 -8.139 1.00 13.32 C ATOM 395 CD PRO A 24 10.525 -8.398 -7.648 1.00 40.20 C ATOM 0 HA PRO A 24 8.582 -10.034 -5.513 1.00 24.54 H new ATOM 0 HB2 PRO A 24 9.873 -11.662 -7.323 1.00 14.21 H new ATOM 0 HB3 PRO A 24 8.639 -10.558 -7.895 1.00 14.21 H new ATOM 0 HG2 PRO A 24 11.643 -10.227 -7.945 1.00 13.32 H new ATOM 0 HG3 PRO A 24 10.483 -9.890 -9.215 1.00 13.32 H new ATOM 0 HD2 PRO A 24 11.497 -7.907 -7.610 1.00 40.20 H new ATOM 0 HD3 PRO A 24 9.893 -7.803 -8.308 1.00 40.20 H new ATOM 403 N ASN A 25 11.753 -10.035 -4.893 1.00 0.51 N ATOM 404 CA ASN A 25 12.823 -10.514 -3.985 1.00 11.24 C ATOM 405 C ASN A 25 12.681 -9.895 -2.583 1.00 2.21 C ATOM 406 O ASN A 25 13.611 -9.959 -1.770 1.00 5.24 O ATOM 407 CB ASN A 25 14.212 -10.165 -4.587 1.00 42.01 C ATOM 408 CG ASN A 25 14.476 -10.882 -5.911 1.00 1.41 C ATOM 409 OD1 ASN A 25 14.105 -10.399 -6.981 1.00 0.41 O ATOM 410 ND2 ASN A 25 15.107 -12.046 -5.850 1.00 53.40 N ATOM 0 H ASN A 25 12.028 -9.220 -5.441 1.00 0.51 H new ATOM 0 HA ASN A 25 12.732 -11.595 -3.884 1.00 11.24 H new ATOM 0 HB2 ASN A 25 14.276 -9.088 -4.742 1.00 42.01 H new ATOM 0 HB3 ASN A 25 14.991 -10.431 -3.872 1.00 42.01 H new ATOM 0 HD21 ASN A 25 15.298 -12.568 -6.705 1.00 53.40 H new ATOM 0 HD22 ASN A 25 15.402 -12.420 -4.948 1.00 53.40 H new ATOM 417 N SER A 26 11.507 -9.314 -2.297 1.00 12.12 N ATOM 418 CA SER A 26 11.237 -8.618 -1.041 1.00 20.02 C ATOM 419 C SER A 26 10.065 -9.264 -0.289 1.00 3.45 C ATOM 420 O SER A 26 9.175 -9.866 -0.900 1.00 34.41 O ATOM 421 CB SER A 26 10.922 -7.142 -1.326 1.00 44.44 C ATOM 422 OG SER A 26 10.665 -6.447 -0.121 1.00 62.11 O ATOM 0 H SER A 26 10.715 -9.317 -2.939 1.00 12.12 H new ATOM 0 HA SER A 26 12.124 -8.690 -0.412 1.00 20.02 H new ATOM 0 HB2 SER A 26 11.760 -6.680 -1.847 1.00 44.44 H new ATOM 0 HB3 SER A 26 10.057 -7.070 -1.986 1.00 44.44 H new ATOM 0 HG SER A 26 11.324 -5.730 -0.010 1.00 62.11 H new ATOM 428 N LYS A 27 10.080 -9.119 1.046 1.00 32.14 N ATOM 429 CA LYS A 27 8.993 -9.558 1.925 1.00 51.24 C ATOM 430 C LYS A 27 8.252 -8.305 2.414 1.00 35.43 C ATOM 431 O LYS A 27 8.798 -7.528 3.205 1.00 54.01 O ATOM 432 CB LYS A 27 9.569 -10.364 3.123 1.00 12.54 C ATOM 433 CG LYS A 27 8.531 -11.170 3.973 1.00 10.22 C ATOM 434 CD LYS A 27 8.285 -12.632 3.488 1.00 33.34 C ATOM 435 CE LYS A 27 7.448 -12.751 2.200 1.00 10.33 C ATOM 436 NZ LYS A 27 6.045 -12.302 2.396 1.00 75.02 N ATOM 0 H LYS A 27 10.857 -8.689 1.547 1.00 32.14 H new ATOM 0 HA LYS A 27 8.304 -10.211 1.390 1.00 51.24 H new ATOM 0 HB2 LYS A 27 10.315 -11.061 2.741 1.00 12.54 H new ATOM 0 HB3 LYS A 27 10.090 -9.671 3.784 1.00 12.54 H new ATOM 0 HG2 LYS A 27 8.873 -11.198 5.008 1.00 10.22 H new ATOM 0 HG3 LYS A 27 7.582 -10.635 3.965 1.00 10.22 H new ATOM 0 HD2 LYS A 27 9.249 -13.113 3.324 1.00 33.34 H new ATOM 0 HD3 LYS A 27 7.784 -13.185 4.283 1.00 33.34 H new ATOM 0 HE2 LYS A 27 7.911 -12.156 1.412 1.00 10.33 H new ATOM 0 HE3 LYS A 27 7.452 -13.787 1.861 1.00 10.33 H new ATOM 0 HZ1 LYS A 27 5.499 -12.479 1.529 1.00 75.02 H new ATOM 0 HZ2 LYS A 27 5.619 -12.828 3.186 1.00 75.02 H new ATOM 0 HZ3 LYS A 27 6.033 -11.284 2.611 1.00 75.02 H new ATOM 450 N VAL A 28 7.030 -8.104 1.921 1.00 4.42 N ATOM 451 CA VAL A 28 6.220 -6.918 2.222 1.00 71.01 C ATOM 452 C VAL A 28 5.224 -7.232 3.352 1.00 55.32 C ATOM 453 O VAL A 28 4.365 -8.115 3.215 1.00 23.03 O ATOM 454 CB VAL A 28 5.443 -6.422 0.942 1.00 23.52 C ATOM 455 CG1 VAL A 28 4.608 -5.161 1.251 1.00 42.20 C ATOM 456 CG2 VAL A 28 6.410 -6.166 -0.237 1.00 34.05 C ATOM 0 H VAL A 28 6.568 -8.764 1.296 1.00 4.42 H new ATOM 0 HA VAL A 28 6.891 -6.122 2.544 1.00 71.01 H new ATOM 0 HB VAL A 28 4.757 -7.216 0.646 1.00 23.52 H new ATOM 0 HG11 VAL A 28 4.084 -4.842 0.350 1.00 42.20 H new ATOM 0 HG12 VAL A 28 3.882 -5.387 2.032 1.00 42.20 H new ATOM 0 HG13 VAL A 28 5.268 -4.362 1.589 1.00 42.20 H new ATOM 0 HG21 VAL A 28 5.844 -5.825 -1.104 1.00 34.05 H new ATOM 0 HG22 VAL A 28 7.135 -5.403 0.046 1.00 34.05 H new ATOM 0 HG23 VAL A 28 6.934 -7.089 -0.485 1.00 34.05 H new ATOM 466 N GLN A 29 5.388 -6.527 4.479 1.00 52.32 N ATOM 467 CA GLN A 29 4.450 -6.534 5.612 1.00 74.13 C ATOM 468 C GLN A 29 3.604 -5.254 5.547 1.00 14.44 C ATOM 469 O GLN A 29 3.990 -4.288 4.877 1.00 4.21 O ATOM 470 CB GLN A 29 5.247 -6.567 6.950 1.00 1.30 C ATOM 471 CG GLN A 29 6.282 -7.711 7.068 1.00 50.33 C ATOM 472 CD GLN A 29 5.683 -9.121 6.941 1.00 20.35 C ATOM 473 OE1 GLN A 29 4.534 -9.374 7.308 1.00 74.22 O ATOM 474 NE2 GLN A 29 6.466 -10.062 6.442 1.00 3.12 N ATOM 0 H GLN A 29 6.194 -5.922 4.633 1.00 52.32 H new ATOM 0 HA GLN A 29 3.807 -7.412 5.562 1.00 74.13 H new ATOM 0 HB2 GLN A 29 5.765 -5.615 7.070 1.00 1.30 H new ATOM 0 HB3 GLN A 29 4.539 -6.651 7.775 1.00 1.30 H new ATOM 0 HG2 GLN A 29 7.040 -7.580 6.296 1.00 50.33 H new ATOM 0 HG3 GLN A 29 6.789 -7.629 8.030 1.00 50.33 H new ATOM 0 HE21 GLN A 29 7.414 -9.832 6.144 1.00 3.12 H new ATOM 0 HE22 GLN A 29 6.122 -11.018 6.355 1.00 3.12 H new ATOM 483 N VAL A 30 2.465 -5.236 6.246 1.00 41.34 N ATOM 484 CA VAL A 30 1.688 -4.009 6.448 1.00 1.23 C ATOM 485 C VAL A 30 2.234 -3.308 7.696 1.00 41.21 C ATOM 486 O VAL A 30 2.148 -3.851 8.807 1.00 13.24 O ATOM 487 CB VAL A 30 0.155 -4.297 6.610 1.00 51.42 C ATOM 488 CG1 VAL A 30 -0.640 -2.980 6.778 1.00 25.15 C ATOM 489 CG2 VAL A 30 -0.371 -5.131 5.416 1.00 32.52 C ATOM 0 H VAL A 30 2.059 -6.063 6.684 1.00 41.34 H new ATOM 0 HA VAL A 30 1.791 -3.374 5.568 1.00 1.23 H new ATOM 0 HB VAL A 30 0.008 -4.884 7.516 1.00 51.42 H new ATOM 0 HG11 VAL A 30 -1.700 -3.207 6.888 1.00 25.15 H new ATOM 0 HG12 VAL A 30 -0.287 -2.453 7.664 1.00 25.15 H new ATOM 0 HG13 VAL A 30 -0.493 -2.352 5.900 1.00 25.15 H new ATOM 0 HG21 VAL A 30 -1.436 -5.321 5.546 1.00 32.52 H new ATOM 0 HG22 VAL A 30 -0.211 -4.580 4.489 1.00 32.52 H new ATOM 0 HG23 VAL A 30 0.164 -6.080 5.371 1.00 32.52 H new ATOM 499 N ARG A 31 2.831 -2.130 7.496 1.00 63.40 N ATOM 500 CA ARG A 31 3.470 -1.354 8.569 1.00 0.20 C ATOM 501 C ARG A 31 2.406 -0.545 9.346 1.00 1.44 C ATOM 502 O ARG A 31 2.400 -0.536 10.588 1.00 53.43 O ATOM 503 CB ARG A 31 4.556 -0.440 7.945 1.00 4.10 C ATOM 504 CG ARG A 31 5.406 0.348 8.958 1.00 50.12 C ATOM 505 CD ARG A 31 6.229 -0.551 9.905 1.00 44.15 C ATOM 506 NE ARG A 31 6.878 0.233 10.965 1.00 42.05 N ATOM 507 CZ ARG A 31 7.677 -0.266 11.921 1.00 34.13 C ATOM 508 NH1 ARG A 31 7.964 -1.564 11.975 1.00 63.00 N ATOM 509 NH2 ARG A 31 8.169 0.552 12.840 1.00 41.34 N ATOM 0 H ARG A 31 2.886 -1.683 6.581 1.00 63.40 H new ATOM 0 HA ARG A 31 3.951 -2.020 9.286 1.00 0.20 H new ATOM 0 HB2 ARG A 31 5.220 -1.054 7.337 1.00 4.10 H new ATOM 0 HB3 ARG A 31 4.071 0.268 7.273 1.00 4.10 H new ATOM 0 HG2 ARG A 31 6.084 1.007 8.416 1.00 50.12 H new ATOM 0 HG3 ARG A 31 4.751 0.984 9.553 1.00 50.12 H new ATOM 0 HD2 ARG A 31 5.578 -1.301 10.353 1.00 44.15 H new ATOM 0 HD3 ARG A 31 6.986 -1.087 9.333 1.00 44.15 H new ATOM 0 HE ARG A 31 6.707 1.239 10.975 1.00 42.05 H new ATOM 0 HH11 ARG A 31 7.574 -2.202 11.281 1.00 63.00 H new ATOM 0 HH12 ARG A 31 8.574 -1.921 12.711 1.00 63.00 H new ATOM 0 HH21 ARG A 31 7.939 1.545 12.814 1.00 41.34 H new ATOM 0 HH22 ARG A 31 8.778 0.188 13.573 1.00 41.34 H new ATOM 523 N ARG A 32 1.498 0.108 8.594 1.00 13.51 N ATOM 524 CA ARG A 32 0.371 0.892 9.150 1.00 1.52 C ATOM 525 C ARG A 32 -0.620 1.229 8.015 1.00 65.14 C ATOM 526 O ARG A 32 -0.250 1.220 6.842 1.00 53.30 O ATOM 527 CB ARG A 32 0.886 2.197 9.840 1.00 13.23 C ATOM 528 CG ARG A 32 -0.168 2.995 10.652 1.00 61.32 C ATOM 529 CD ARG A 32 -0.763 2.202 11.829 1.00 41.25 C ATOM 530 NE ARG A 32 -1.757 2.980 12.589 1.00 43.33 N ATOM 531 CZ ARG A 32 -2.519 2.486 13.576 1.00 11.43 C ATOM 532 NH1 ARG A 32 -2.425 1.202 13.939 1.00 50.14 N ATOM 533 NH2 ARG A 32 -3.380 3.286 14.192 1.00 64.01 N ATOM 0 H ARG A 32 1.524 0.108 7.574 1.00 13.51 H new ATOM 0 HA ARG A 32 -0.138 0.298 9.909 1.00 1.52 H new ATOM 0 HB2 ARG A 32 1.706 1.933 10.507 1.00 13.23 H new ATOM 0 HB3 ARG A 32 1.298 2.853 9.073 1.00 13.23 H new ATOM 0 HG2 ARG A 32 0.292 3.906 11.034 1.00 61.32 H new ATOM 0 HG3 ARG A 32 -0.974 3.300 9.985 1.00 61.32 H new ATOM 0 HD2 ARG A 32 -1.230 1.293 11.451 1.00 41.25 H new ATOM 0 HD3 ARG A 32 0.040 1.893 12.498 1.00 41.25 H new ATOM 0 HE ARG A 32 -1.874 3.964 12.347 1.00 43.33 H new ATOM 0 HH11 ARG A 32 -1.767 0.584 13.463 1.00 50.14 H new ATOM 0 HH12 ARG A 32 -3.011 0.841 14.692 1.00 50.14 H new ATOM 0 HH21 ARG A 32 -3.457 4.264 13.913 1.00 64.01 H new ATOM 0 HH22 ARG A 32 -3.965 2.923 14.944 1.00 64.01 H new ATOM 547 N VAL A 33 -1.886 1.500 8.369 1.00 74.04 N ATOM 548 CA VAL A 33 -2.929 1.917 7.409 1.00 4.32 C ATOM 549 C VAL A 33 -3.479 3.301 7.819 1.00 44.43 C ATOM 550 O VAL A 33 -3.819 3.507 8.989 1.00 32.25 O ATOM 551 CB VAL A 33 -4.100 0.857 7.350 1.00 33.44 C ATOM 552 CG1 VAL A 33 -5.187 1.271 6.341 1.00 11.41 C ATOM 553 CG2 VAL A 33 -3.555 -0.554 7.027 1.00 44.22 C ATOM 0 H VAL A 33 -2.220 1.437 9.331 1.00 74.04 H new ATOM 0 HA VAL A 33 -2.486 1.981 6.415 1.00 4.32 H new ATOM 0 HB VAL A 33 -4.562 0.825 8.337 1.00 33.44 H new ATOM 0 HG11 VAL A 33 -5.976 0.519 6.327 1.00 11.41 H new ATOM 0 HG12 VAL A 33 -5.608 2.233 6.634 1.00 11.41 H new ATOM 0 HG13 VAL A 33 -4.748 1.355 5.347 1.00 11.41 H new ATOM 0 HG21 VAL A 33 -4.381 -1.264 6.992 1.00 44.22 H new ATOM 0 HG22 VAL A 33 -3.051 -0.537 6.061 1.00 44.22 H new ATOM 0 HG23 VAL A 33 -2.849 -0.857 7.800 1.00 44.22 H new ATOM 563 N GLN A 34 -3.551 4.250 6.856 1.00 2.23 N ATOM 564 CA GLN A 34 -4.060 5.625 7.090 1.00 75.13 C ATOM 565 C GLN A 34 -5.283 5.884 6.196 1.00 1.40 C ATOM 566 O GLN A 34 -5.143 5.943 4.976 1.00 11.43 O ATOM 567 CB GLN A 34 -2.956 6.683 6.770 1.00 63.34 C ATOM 568 CG GLN A 34 -1.676 6.572 7.615 1.00 11.40 C ATOM 569 CD GLN A 34 -1.932 6.680 9.120 1.00 74.34 C ATOM 570 OE1 GLN A 34 -2.851 7.365 9.578 1.00 62.13 O ATOM 571 NE2 GLN A 34 -1.115 6.020 9.901 1.00 52.35 N ATOM 0 H GLN A 34 -3.258 4.085 5.893 1.00 2.23 H new ATOM 0 HA GLN A 34 -4.342 5.714 8.139 1.00 75.13 H new ATOM 0 HB2 GLN A 34 -2.686 6.595 5.718 1.00 63.34 H new ATOM 0 HB3 GLN A 34 -3.378 7.678 6.909 1.00 63.34 H new ATOM 0 HG2 GLN A 34 -1.191 5.619 7.404 1.00 11.40 H new ATOM 0 HG3 GLN A 34 -0.982 7.357 7.315 1.00 11.40 H new ATOM 0 HE21 GLN A 34 -0.363 5.461 9.497 1.00 52.35 H new ATOM 0 HE22 GLN A 34 -1.230 6.065 10.914 1.00 52.35 H new ATOM 580 N LYS A 35 -6.487 6.026 6.789 1.00 3.20 N ATOM 581 CA LYS A 35 -7.692 6.407 6.034 1.00 41.40 C ATOM 582 C LYS A 35 -7.792 7.944 6.103 1.00 21.33 C ATOM 583 O LYS A 35 -8.097 8.503 7.160 1.00 40.33 O ATOM 584 CB LYS A 35 -8.968 5.708 6.614 1.00 31.32 C ATOM 585 CG LYS A 35 -10.060 5.373 5.566 1.00 45.23 C ATOM 586 CD LYS A 35 -10.604 6.600 4.795 1.00 61.02 C ATOM 587 CE LYS A 35 -11.505 6.215 3.614 1.00 40.31 C ATOM 588 NZ LYS A 35 -12.726 5.494 4.044 1.00 74.01 N ATOM 0 H LYS A 35 -6.647 5.882 7.786 1.00 3.20 H new ATOM 0 HA LYS A 35 -7.624 6.081 4.996 1.00 41.40 H new ATOM 0 HB2 LYS A 35 -8.666 4.786 7.110 1.00 31.32 H new ATOM 0 HB3 LYS A 35 -9.403 6.353 7.377 1.00 31.32 H new ATOM 0 HG2 LYS A 35 -9.652 4.660 4.849 1.00 45.23 H new ATOM 0 HG3 LYS A 35 -10.890 4.878 6.070 1.00 45.23 H new ATOM 0 HD2 LYS A 35 -11.165 7.234 5.481 1.00 61.02 H new ATOM 0 HD3 LYS A 35 -9.766 7.192 4.427 1.00 61.02 H new ATOM 0 HE2 LYS A 35 -11.791 7.116 3.071 1.00 40.31 H new ATOM 0 HE3 LYS A 35 -10.943 5.589 2.921 1.00 40.31 H new ATOM 0 HZ1 LYS A 35 -13.463 5.595 3.317 1.00 74.01 H new ATOM 0 HZ2 LYS A 35 -12.506 4.486 4.176 1.00 74.01 H new ATOM 0 HZ3 LYS A 35 -13.067 5.894 4.941 1.00 74.01 H new ATOM 602 N GLN A 36 -7.506 8.610 4.980 1.00 72.41 N ATOM 603 CA GLN A 36 -7.443 10.080 4.891 1.00 64.01 C ATOM 604 C GLN A 36 -8.489 10.552 3.872 1.00 75.50 C ATOM 605 O GLN A 36 -8.278 10.415 2.659 1.00 32.12 O ATOM 606 CB GLN A 36 -6.006 10.511 4.464 1.00 42.44 C ATOM 607 CG GLN A 36 -4.875 9.991 5.385 1.00 61.51 C ATOM 608 CD GLN A 36 -4.981 10.480 6.832 1.00 24.33 C ATOM 609 OE1 GLN A 36 -5.431 11.594 7.105 1.00 71.34 O ATOM 610 NE2 GLN A 36 -4.581 9.650 7.771 1.00 2.41 N ATOM 0 H GLN A 36 -7.309 8.142 4.095 1.00 72.41 H new ATOM 0 HA GLN A 36 -7.660 10.535 5.857 1.00 64.01 H new ATOM 0 HB2 GLN A 36 -5.822 10.157 3.450 1.00 42.44 H new ATOM 0 HB3 GLN A 36 -5.961 11.600 4.435 1.00 42.44 H new ATOM 0 HG2 GLN A 36 -4.886 8.901 5.378 1.00 61.51 H new ATOM 0 HG3 GLN A 36 -3.914 10.303 4.976 1.00 61.51 H new ATOM 0 HE21 GLN A 36 -4.212 8.733 7.518 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -4.640 9.923 8.752 1.00 2.41 H new ATOM 619 N GLY A 37 -9.634 11.053 4.378 1.00 1.32 N ATOM 620 CA GLY A 37 -10.758 11.485 3.541 1.00 25.21 C ATOM 621 C GLY A 37 -11.487 10.310 2.889 1.00 40.33 C ATOM 622 O GLY A 37 -12.368 9.692 3.502 1.00 3.52 O ATOM 0 H GLY A 37 -9.800 11.167 5.378 1.00 1.32 H new ATOM 0 HA2 GLY A 37 -11.462 12.053 4.149 1.00 25.21 H new ATOM 0 HA3 GLY A 37 -10.392 12.157 2.765 1.00 25.21 H new ATOM 626 N ASN A 38 -11.079 9.983 1.655 1.00 64.03 N ATOM 627 CA ASN A 38 -11.648 8.876 0.853 1.00 34.41 C ATOM 628 C ASN A 38 -10.492 8.073 0.195 1.00 32.24 C ATOM 629 O ASN A 38 -10.717 7.152 -0.597 1.00 62.41 O ATOM 630 CB ASN A 38 -12.629 9.451 -0.223 1.00 32.51 C ATOM 631 CG ASN A 38 -13.737 8.477 -0.637 1.00 61.55 C ATOM 632 OD1 ASN A 38 -13.583 7.262 -0.588 1.00 62.31 O ATOM 633 ND2 ASN A 38 -14.873 9.009 -1.048 1.00 34.25 N ATOM 0 H ASN A 38 -10.333 10.484 1.173 1.00 64.03 H new ATOM 0 HA ASN A 38 -12.214 8.201 1.495 1.00 34.41 H new ATOM 0 HB2 ASN A 38 -13.086 10.361 0.165 1.00 32.51 H new ATOM 0 HB3 ASN A 38 -12.058 9.733 -1.107 1.00 32.51 H new ATOM 0 HD21 ASN A 38 -15.645 8.406 -1.333 1.00 34.25 H new ATOM 0 HD22 ASN A 38 -14.979 10.023 -1.081 1.00 34.25 H new ATOM 640 N THR A 39 -9.244 8.434 0.560 1.00 63.22 N ATOM 641 CA THR A 39 -8.013 7.843 0.023 1.00 62.31 C ATOM 642 C THR A 39 -7.221 7.183 1.158 1.00 23.21 C ATOM 643 O THR A 39 -6.781 7.866 2.096 1.00 64.12 O ATOM 644 CB THR A 39 -7.142 8.960 -0.638 1.00 22.21 C ATOM 645 OG1 THR A 39 -7.910 9.629 -1.655 1.00 44.13 O ATOM 646 CG2 THR A 39 -5.836 8.425 -1.265 1.00 74.13 C ATOM 0 H THR A 39 -9.067 9.162 1.252 1.00 63.22 H new ATOM 0 HA THR A 39 -8.270 7.092 -0.724 1.00 62.31 H new ATOM 0 HB THR A 39 -6.859 9.648 0.158 1.00 22.21 H new ATOM 0 HG1 THR A 39 -7.365 10.331 -2.068 1.00 44.13 H new ATOM 0 HG21 THR A 39 -5.279 9.252 -1.706 1.00 74.13 H new ATOM 0 HG22 THR A 39 -5.230 7.950 -0.494 1.00 74.13 H new ATOM 0 HG23 THR A 39 -6.076 7.695 -2.038 1.00 74.13 H new ATOM 654 N ILE A 40 -7.056 5.858 1.087 1.00 20.44 N ATOM 655 CA ILE A 40 -6.304 5.107 2.089 1.00 73.13 C ATOM 656 C ILE A 40 -4.810 5.052 1.701 1.00 23.51 C ATOM 657 O ILE A 40 -4.425 4.372 0.744 1.00 73.24 O ATOM 658 CB ILE A 40 -6.881 3.658 2.268 1.00 43.31 C ATOM 659 CG1 ILE A 40 -8.395 3.713 2.641 1.00 44.23 C ATOM 660 CG2 ILE A 40 -6.071 2.879 3.330 1.00 75.01 C ATOM 661 CD1 ILE A 40 -9.033 2.372 2.954 1.00 50.14 C ATOM 0 H ILE A 40 -7.439 5.282 0.337 1.00 20.44 H new ATOM 0 HA ILE A 40 -6.403 5.623 3.044 1.00 73.13 H new ATOM 0 HB ILE A 40 -6.789 3.128 1.320 1.00 43.31 H new ATOM 0 HG12 ILE A 40 -8.516 4.366 3.506 1.00 44.23 H new ATOM 0 HG13 ILE A 40 -8.939 4.173 1.816 1.00 44.23 H new ATOM 0 HG21 ILE A 40 -6.485 1.877 3.441 1.00 75.01 H new ATOM 0 HG22 ILE A 40 -5.030 2.809 3.014 1.00 75.01 H new ATOM 0 HG23 ILE A 40 -6.126 3.402 4.285 1.00 75.01 H new ATOM 0 HD11 ILE A 40 -10.085 2.518 3.201 1.00 50.14 H new ATOM 0 HD12 ILE A 40 -8.952 1.719 2.085 1.00 50.14 H new ATOM 0 HD13 ILE A 40 -8.522 1.915 3.801 1.00 50.14 H new ATOM 673 N ARG A 41 -3.997 5.798 2.450 1.00 13.04 N ATOM 674 CA ARG A 41 -2.541 5.803 2.334 1.00 54.31 C ATOM 675 C ARG A 41 -1.987 4.665 3.205 1.00 31.24 C ATOM 676 O ARG A 41 -1.845 4.823 4.422 1.00 63.41 O ATOM 677 CB ARG A 41 -1.999 7.181 2.820 1.00 43.13 C ATOM 678 CG ARG A 41 -2.680 8.416 2.176 1.00 61.20 C ATOM 679 CD ARG A 41 -2.124 9.750 2.721 1.00 74.23 C ATOM 680 NE ARG A 41 -2.755 10.931 2.084 1.00 44.40 N ATOM 681 CZ ARG A 41 -2.991 12.116 2.685 1.00 23.13 C ATOM 682 NH1 ARG A 41 -2.663 12.330 3.964 1.00 43.23 N ATOM 683 NH2 ARG A 41 -3.566 13.088 1.989 1.00 52.52 N ATOM 0 H ARG A 41 -4.343 6.431 3.172 1.00 13.04 H new ATOM 0 HA ARG A 41 -2.230 5.652 1.300 1.00 54.31 H new ATOM 0 HB2 ARG A 41 -2.120 7.241 3.902 1.00 43.13 H new ATOM 0 HB3 ARG A 41 -0.929 7.227 2.615 1.00 43.13 H new ATOM 0 HG2 ARG A 41 -2.540 8.382 1.096 1.00 61.20 H new ATOM 0 HG3 ARG A 41 -3.754 8.372 2.359 1.00 61.20 H new ATOM 0 HD2 ARG A 41 -2.284 9.793 3.798 1.00 74.23 H new ATOM 0 HD3 ARG A 41 -1.047 9.785 2.557 1.00 74.23 H new ATOM 0 HE ARG A 41 -3.035 10.840 1.107 1.00 44.40 H new ATOM 0 HH11 ARG A 41 -2.224 11.588 4.509 1.00 43.23 H new ATOM 0 HH12 ARG A 41 -2.852 13.235 4.394 1.00 43.23 H new ATOM 0 HH21 ARG A 41 -3.823 12.934 1.014 1.00 52.52 H new ATOM 0 HH22 ARG A 41 -3.751 13.989 2.429 1.00 52.52 H new ATOM 697 N VAL A 42 -1.735 3.496 2.605 1.00 24.22 N ATOM 698 CA VAL A 42 -1.172 2.349 3.337 1.00 54.12 C ATOM 699 C VAL A 42 0.353 2.471 3.364 1.00 40.23 C ATOM 700 O VAL A 42 0.992 2.601 2.318 1.00 61.33 O ATOM 701 CB VAL A 42 -1.578 0.956 2.725 1.00 10.42 C ATOM 702 CG1 VAL A 42 -1.101 -0.218 3.621 1.00 44.22 C ATOM 703 CG2 VAL A 42 -3.090 0.862 2.504 1.00 51.35 C ATOM 0 H VAL A 42 -1.911 3.317 1.616 1.00 24.22 H new ATOM 0 HA VAL A 42 -1.586 2.379 4.345 1.00 54.12 H new ATOM 0 HB VAL A 42 -1.081 0.877 1.758 1.00 10.42 H new ATOM 0 HG11 VAL A 42 -1.398 -1.164 3.169 1.00 44.22 H new ATOM 0 HG12 VAL A 42 -0.016 -0.186 3.716 1.00 44.22 H new ATOM 0 HG13 VAL A 42 -1.554 -0.130 4.608 1.00 44.22 H new ATOM 0 HG21 VAL A 42 -3.336 -0.112 2.081 1.00 51.35 H new ATOM 0 HG22 VAL A 42 -3.605 0.984 3.457 1.00 51.35 H new ATOM 0 HG23 VAL A 42 -3.407 1.647 1.817 1.00 51.35 H new ATOM 713 N GLU A 43 0.905 2.482 4.574 1.00 34.51 N ATOM 714 CA GLU A 43 2.350 2.388 4.818 1.00 61.05 C ATOM 715 C GLU A 43 2.725 0.895 4.889 1.00 12.03 C ATOM 716 O GLU A 43 2.165 0.154 5.702 1.00 32.34 O ATOM 717 CB GLU A 43 2.692 3.103 6.154 1.00 4.42 C ATOM 718 CG GLU A 43 2.225 4.574 6.216 1.00 22.20 C ATOM 719 CD GLU A 43 2.432 5.213 7.597 1.00 70.32 C ATOM 720 OE1 GLU A 43 1.454 5.363 8.362 1.00 75.13 O ATOM 721 OE2 GLU A 43 3.584 5.556 7.939 1.00 1.45 O ATOM 0 H GLU A 43 0.356 2.558 5.430 1.00 34.51 H new ATOM 0 HA GLU A 43 2.913 2.869 4.018 1.00 61.05 H new ATOM 0 HB2 GLU A 43 2.235 2.552 6.976 1.00 4.42 H new ATOM 0 HB3 GLU A 43 3.771 3.068 6.307 1.00 4.42 H new ATOM 0 HG2 GLU A 43 2.768 5.153 5.469 1.00 22.20 H new ATOM 0 HG3 GLU A 43 1.168 4.625 5.953 1.00 22.20 H new ATOM 728 N LEU A 44 3.631 0.442 4.016 1.00 73.12 N ATOM 729 CA LEU A 44 4.079 -0.965 4.000 1.00 34.20 C ATOM 730 C LEU A 44 5.583 -1.034 4.241 1.00 64.12 C ATOM 731 O LEU A 44 6.328 -0.108 3.900 1.00 14.10 O ATOM 732 CB LEU A 44 3.701 -1.692 2.674 1.00 24.03 C ATOM 733 CG LEU A 44 2.188 -1.613 2.247 1.00 3.11 C ATOM 734 CD1 LEU A 44 1.907 -0.343 1.426 1.00 1.24 C ATOM 735 CD2 LEU A 44 1.737 -2.867 1.479 1.00 64.35 C ATOM 0 H LEU A 44 4.073 1.027 3.307 1.00 73.12 H new ATOM 0 HA LEU A 44 3.559 -1.485 4.804 1.00 34.20 H new ATOM 0 HB2 LEU A 44 4.307 -1.275 1.869 1.00 24.03 H new ATOM 0 HB3 LEU A 44 3.976 -2.742 2.768 1.00 24.03 H new ATOM 0 HG LEU A 44 1.603 -1.565 3.165 1.00 3.11 H new ATOM 0 HD11 LEU A 44 0.854 -0.317 1.146 1.00 1.24 H new ATOM 0 HD12 LEU A 44 2.146 0.537 2.024 1.00 1.24 H new ATOM 0 HD13 LEU A 44 2.522 -0.348 0.526 1.00 1.24 H new ATOM 0 HD21 LEU A 44 0.687 -2.768 1.205 1.00 64.35 H new ATOM 0 HD22 LEU A 44 2.339 -2.977 0.577 1.00 64.35 H new ATOM 0 HD23 LEU A 44 1.866 -3.746 2.110 1.00 64.35 H new ATOM 747 N GLU A 45 6.006 -2.153 4.831 1.00 12.24 N ATOM 748 CA GLU A 45 7.403 -2.421 5.160 1.00 10.11 C ATOM 749 C GLU A 45 7.928 -3.468 4.162 1.00 10.22 C ATOM 750 O GLU A 45 7.646 -4.658 4.272 1.00 4.24 O ATOM 751 CB GLU A 45 7.453 -2.934 6.625 1.00 4.21 C ATOM 752 CG GLU A 45 8.852 -3.275 7.166 1.00 42.14 C ATOM 753 CD GLU A 45 8.821 -3.760 8.628 1.00 35.41 C ATOM 754 OE1 GLU A 45 8.778 -4.984 8.860 1.00 12.25 O ATOM 755 OE2 GLU A 45 8.814 -2.920 9.548 1.00 31.11 O ATOM 0 H GLU A 45 5.376 -2.910 5.097 1.00 12.24 H new ATOM 0 HA GLU A 45 8.030 -1.532 5.085 1.00 10.11 H new ATOM 0 HB2 GLU A 45 7.009 -2.177 7.271 1.00 4.21 H new ATOM 0 HB3 GLU A 45 6.828 -3.824 6.700 1.00 4.21 H new ATOM 0 HG2 GLU A 45 9.301 -4.047 6.541 1.00 42.14 H new ATOM 0 HG3 GLU A 45 9.490 -2.394 7.093 1.00 42.14 H new ATOM 762 N LEU A 46 8.693 -2.982 3.182 1.00 0.33 N ATOM 763 CA LEU A 46 9.201 -3.786 2.062 1.00 1.44 C ATOM 764 C LEU A 46 10.680 -4.119 2.342 1.00 14.34 C ATOM 765 O LEU A 46 11.534 -3.222 2.366 1.00 73.50 O ATOM 766 CB LEU A 46 8.964 -2.987 0.739 1.00 51.15 C ATOM 767 CG LEU A 46 9.405 -3.648 -0.626 1.00 31.11 C ATOM 768 CD1 LEU A 46 8.449 -3.280 -1.783 1.00 55.30 C ATOM 769 CD2 LEU A 46 10.851 -3.261 -1.012 1.00 43.15 C ATOM 0 H LEU A 46 8.983 -2.005 3.141 1.00 0.33 H new ATOM 0 HA LEU A 46 8.679 -4.737 1.952 1.00 1.44 H new ATOM 0 HB2 LEU A 46 7.899 -2.765 0.672 1.00 51.15 H new ATOM 0 HB3 LEU A 46 9.484 -2.033 0.829 1.00 51.15 H new ATOM 0 HG LEU A 46 9.360 -4.725 -0.467 1.00 31.11 H new ATOM 0 HD11 LEU A 46 8.790 -3.756 -2.702 1.00 55.30 H new ATOM 0 HD12 LEU A 46 7.443 -3.626 -1.547 1.00 55.30 H new ATOM 0 HD13 LEU A 46 8.439 -2.198 -1.917 1.00 55.30 H new ATOM 0 HD21 LEU A 46 11.115 -3.736 -1.957 1.00 43.15 H new ATOM 0 HD22 LEU A 46 10.922 -2.179 -1.118 1.00 43.15 H new ATOM 0 HD23 LEU A 46 11.537 -3.595 -0.234 1.00 43.15 H new ATOM 781 N ARG A 47 10.956 -5.409 2.586 1.00 62.55 N ATOM 782 CA ARG A 47 12.264 -5.877 3.091 1.00 10.45 C ATOM 783 C ARG A 47 13.104 -6.454 1.936 1.00 3.12 C ATOM 784 O ARG A 47 12.873 -7.593 1.516 1.00 72.32 O ATOM 785 CB ARG A 47 12.034 -6.986 4.161 1.00 64.15 C ATOM 786 CG ARG A 47 11.145 -6.584 5.364 1.00 51.41 C ATOM 787 CD ARG A 47 10.863 -7.785 6.288 1.00 34.21 C ATOM 788 NE ARG A 47 10.018 -7.435 7.446 1.00 1.34 N ATOM 789 CZ ARG A 47 9.609 -8.300 8.392 1.00 21.03 C ATOM 790 NH1 ARG A 47 9.950 -9.591 8.340 1.00 65.13 N ATOM 791 NH2 ARG A 47 8.866 -7.864 9.399 1.00 54.32 N ATOM 0 H ARG A 47 10.282 -6.160 2.440 1.00 62.55 H new ATOM 0 HA ARG A 47 12.797 -5.035 3.534 1.00 10.45 H new ATOM 0 HB2 ARG A 47 11.583 -7.849 3.672 1.00 64.15 H new ATOM 0 HB3 ARG A 47 13.004 -7.306 4.541 1.00 64.15 H new ATOM 0 HG2 ARG A 47 11.637 -5.794 5.932 1.00 51.41 H new ATOM 0 HG3 ARG A 47 10.202 -6.175 5.000 1.00 51.41 H new ATOM 0 HD2 ARG A 47 10.374 -8.572 5.713 1.00 34.21 H new ATOM 0 HD3 ARG A 47 11.809 -8.192 6.645 1.00 34.21 H new ATOM 0 HE ARG A 47 9.721 -6.463 7.536 1.00 1.34 H new ATOM 0 HH11 ARG A 47 10.530 -9.935 7.574 1.00 65.13 H new ATOM 0 HH12 ARG A 47 9.631 -10.232 9.066 1.00 65.13 H new ATOM 0 HH21 ARG A 47 8.608 -6.879 9.453 1.00 54.32 H new ATOM 0 HH22 ARG A 47 8.552 -8.514 10.120 1.00 54.32 H new ATOM 805 N THR A 48 14.069 -5.671 1.420 1.00 61.13 N ATOM 806 CA THR A 48 14.955 -6.110 0.323 1.00 34.13 C ATOM 807 C THR A 48 16.387 -6.318 0.844 1.00 40.42 C ATOM 808 O THR A 48 17.151 -5.352 0.988 1.00 31.24 O ATOM 809 CB THR A 48 14.953 -5.087 -0.864 1.00 0.43 C ATOM 810 OG1 THR A 48 13.606 -4.847 -1.293 1.00 71.31 O ATOM 811 CG2 THR A 48 15.782 -5.575 -2.070 1.00 52.42 C ATOM 0 H THR A 48 14.257 -4.723 1.748 1.00 61.13 H new ATOM 0 HA THR A 48 14.571 -7.058 -0.054 1.00 34.13 H new ATOM 0 HB THR A 48 15.411 -4.170 -0.494 1.00 0.43 H new ATOM 0 HG1 THR A 48 13.440 -3.882 -1.324 1.00 71.31 H new ATOM 0 HG21 THR A 48 15.746 -4.828 -2.863 1.00 52.42 H new ATOM 0 HG22 THR A 48 16.816 -5.728 -1.762 1.00 52.42 H new ATOM 0 HG23 THR A 48 15.370 -6.515 -2.438 1.00 52.42 H new ATOM 819 N ASN A 49 16.717 -7.584 1.173 1.00 53.14 N ATOM 820 CA ASN A 49 18.075 -8.026 1.570 1.00 54.14 C ATOM 821 C ASN A 49 18.565 -7.287 2.835 1.00 41.02 C ATOM 822 O ASN A 49 19.746 -6.934 2.947 1.00 32.20 O ATOM 823 CB ASN A 49 19.077 -7.862 0.382 1.00 63.34 C ATOM 824 CG ASN A 49 18.622 -8.558 -0.905 1.00 1.43 C ATOM 825 OD1 ASN A 49 17.929 -9.580 -0.878 1.00 13.12 O ATOM 826 ND2 ASN A 49 19.012 -8.015 -2.047 1.00 71.31 N ATOM 0 H ASN A 49 16.036 -8.344 1.171 1.00 53.14 H new ATOM 0 HA ASN A 49 18.024 -9.085 1.821 1.00 54.14 H new ATOM 0 HB2 ASN A 49 19.218 -6.800 0.181 1.00 63.34 H new ATOM 0 HB3 ASN A 49 20.047 -8.262 0.678 1.00 63.34 H new ATOM 0 HD21 ASN A 49 18.741 -8.441 -2.933 1.00 71.31 H new ATOM 0 HD22 ASN A 49 19.584 -7.171 -2.041 1.00 71.31 H new ATOM 833 N GLY A 50 17.633 -7.076 3.785 1.00 42.43 N ATOM 834 CA GLY A 50 17.937 -6.436 5.073 1.00 50.42 C ATOM 835 C GLY A 50 17.578 -4.955 5.111 1.00 12.24 C ATOM 836 O GLY A 50 17.673 -4.325 6.168 1.00 75.10 O ATOM 0 H GLY A 50 16.655 -7.344 3.679 1.00 42.43 H new ATOM 0 HA2 GLY A 50 17.396 -6.954 5.865 1.00 50.42 H new ATOM 0 HA3 GLY A 50 19.000 -6.550 5.286 1.00 50.42 H new ATOM 840 N LYS A 51 17.169 -4.395 3.956 1.00 50.33 N ATOM 841 CA LYS A 51 16.737 -2.989 3.844 1.00 10.12 C ATOM 842 C LYS A 51 15.245 -2.859 4.196 1.00 43.25 C ATOM 843 O LYS A 51 14.423 -3.615 3.671 1.00 23.11 O ATOM 844 CB LYS A 51 16.967 -2.467 2.404 1.00 21.54 C ATOM 845 CG LYS A 51 18.441 -2.489 1.934 1.00 31.53 C ATOM 846 CD LYS A 51 18.589 -2.103 0.442 1.00 5.24 C ATOM 847 CE LYS A 51 18.035 -0.706 0.124 1.00 62.32 C ATOM 848 NZ LYS A 51 18.744 0.361 0.881 1.00 3.23 N ATOM 0 H LYS A 51 17.129 -4.906 3.074 1.00 50.33 H new ATOM 0 HA LYS A 51 17.327 -2.395 4.542 1.00 10.12 H new ATOM 0 HB2 LYS A 51 16.372 -3.067 1.716 1.00 21.54 H new ATOM 0 HB3 LYS A 51 16.595 -1.445 2.339 1.00 21.54 H new ATOM 0 HG2 LYS A 51 19.025 -1.800 2.545 1.00 31.53 H new ATOM 0 HG3 LYS A 51 18.855 -3.485 2.092 1.00 31.53 H new ATOM 0 HD2 LYS A 51 19.643 -2.141 0.166 1.00 5.24 H new ATOM 0 HD3 LYS A 51 18.072 -2.841 -0.171 1.00 5.24 H new ATOM 0 HE2 LYS A 51 18.127 -0.514 -0.945 1.00 62.32 H new ATOM 0 HE3 LYS A 51 16.972 -0.675 0.363 1.00 62.32 H new ATOM 0 HZ1 LYS A 51 18.374 1.291 0.599 1.00 3.23 H new ATOM 0 HZ2 LYS A 51 18.593 0.222 1.901 1.00 3.23 H new ATOM 0 HZ3 LYS A 51 19.762 0.316 0.673 1.00 3.23 H new ATOM 862 N LYS A 52 14.906 -1.898 5.074 1.00 24.01 N ATOM 863 CA LYS A 52 13.513 -1.561 5.391 1.00 51.50 C ATOM 864 C LYS A 52 13.126 -0.318 4.588 1.00 72.21 C ATOM 865 O LYS A 52 13.459 0.825 4.952 1.00 11.14 O ATOM 866 CB LYS A 52 13.315 -1.313 6.907 1.00 55.23 C ATOM 867 CG LYS A 52 11.846 -1.052 7.308 1.00 1.11 C ATOM 868 CD LYS A 52 11.638 -0.848 8.826 1.00 41.30 C ATOM 869 CE LYS A 52 12.045 -2.071 9.671 1.00 53.15 C ATOM 870 NZ LYS A 52 11.628 -1.929 11.094 1.00 33.43 N ATOM 0 H LYS A 52 15.590 -1.337 5.581 1.00 24.01 H new ATOM 0 HA LYS A 52 12.871 -2.400 5.122 1.00 51.50 H new ATOM 0 HB2 LYS A 52 13.685 -2.177 7.459 1.00 55.23 H new ATOM 0 HB3 LYS A 52 13.922 -0.459 7.209 1.00 55.23 H new ATOM 0 HG2 LYS A 52 11.487 -0.169 6.780 1.00 1.11 H new ATOM 0 HG3 LYS A 52 11.235 -1.891 6.977 1.00 1.11 H new ATOM 0 HD2 LYS A 52 12.216 0.017 9.151 1.00 41.30 H new ATOM 0 HD3 LYS A 52 10.589 -0.619 9.014 1.00 41.30 H new ATOM 0 HE2 LYS A 52 11.595 -2.969 9.249 1.00 53.15 H new ATOM 0 HE3 LYS A 52 13.126 -2.203 9.621 1.00 53.15 H new ATOM 0 HZ1 LYS A 52 11.921 -2.772 11.627 1.00 33.43 H new ATOM 0 HZ2 LYS A 52 12.078 -1.086 11.505 1.00 33.43 H new ATOM 0 HZ3 LYS A 52 10.594 -1.829 11.144 1.00 33.43 H new ATOM 884 N GLU A 53 12.453 -0.560 3.471 1.00 50.44 N ATOM 885 CA GLU A 53 11.979 0.484 2.562 1.00 42.34 C ATOM 886 C GLU A 53 10.477 0.685 2.795 1.00 5.12 C ATOM 887 O GLU A 53 9.677 -0.214 2.526 1.00 51.30 O ATOM 888 CB GLU A 53 12.267 0.072 1.100 1.00 73.24 C ATOM 889 CG GLU A 53 13.748 -0.226 0.801 1.00 43.52 C ATOM 890 CD GLU A 53 13.976 -0.654 -0.654 1.00 44.43 C ATOM 891 OE1 GLU A 53 14.231 -1.848 -0.914 1.00 44.51 O ATOM 892 OE2 GLU A 53 13.892 0.208 -1.549 1.00 53.00 O ATOM 0 H GLU A 53 12.215 -1.503 3.163 1.00 50.44 H new ATOM 0 HA GLU A 53 12.498 1.423 2.753 1.00 42.34 H new ATOM 0 HB2 GLU A 53 11.676 -0.812 0.862 1.00 73.24 H new ATOM 0 HB3 GLU A 53 11.929 0.869 0.438 1.00 73.24 H new ATOM 0 HG2 GLU A 53 14.344 0.661 1.014 1.00 43.52 H new ATOM 0 HG3 GLU A 53 14.099 -1.013 1.468 1.00 43.52 H new ATOM 899 N ASN A 54 10.102 1.853 3.327 1.00 43.24 N ATOM 900 CA ASN A 54 8.707 2.165 3.666 1.00 63.10 C ATOM 901 C ASN A 54 8.043 2.858 2.468 1.00 43.40 C ATOM 902 O ASN A 54 8.464 3.945 2.064 1.00 41.01 O ATOM 903 CB ASN A 54 8.623 3.053 4.941 1.00 33.00 C ATOM 904 CG ASN A 54 9.105 2.365 6.237 1.00 43.51 C ATOM 905 OD1 ASN A 54 8.524 2.552 7.310 1.00 13.44 O ATOM 906 ND2 ASN A 54 10.190 1.601 6.177 1.00 2.11 N ATOM 0 H ASN A 54 10.755 2.609 3.535 1.00 43.24 H new ATOM 0 HA ASN A 54 8.177 1.238 3.886 1.00 63.10 H new ATOM 0 HB2 ASN A 54 9.217 3.953 4.781 1.00 33.00 H new ATOM 0 HB3 ASN A 54 7.590 3.373 5.078 1.00 33.00 H new ATOM 0 HD21 ASN A 54 10.552 1.161 7.023 1.00 2.11 H new ATOM 0 HD22 ASN A 54 10.661 1.454 5.285 1.00 2.11 H new ATOM 913 N TYR A 55 7.037 2.195 1.878 1.00 4.21 N ATOM 914 CA TYR A 55 6.283 2.715 0.732 1.00 31.34 C ATOM 915 C TYR A 55 4.878 3.107 1.186 1.00 12.03 C ATOM 916 O TYR A 55 4.138 2.274 1.715 1.00 45.33 O ATOM 917 CB TYR A 55 6.173 1.641 -0.376 1.00 55.11 C ATOM 918 CG TYR A 55 7.493 1.275 -1.066 1.00 41.41 C ATOM 919 CD1 TYR A 55 7.803 1.764 -2.334 1.00 14.23 C ATOM 920 CD2 TYR A 55 8.408 0.419 -0.472 1.00 32.51 C ATOM 921 CE1 TYR A 55 8.964 1.406 -2.979 1.00 32.31 C ATOM 922 CE2 TYR A 55 9.577 0.073 -1.110 1.00 45.33 C ATOM 923 CZ TYR A 55 9.852 0.558 -2.363 1.00 35.00 C ATOM 924 OH TYR A 55 11.017 0.189 -2.996 1.00 53.10 O ATOM 0 H TYR A 55 6.723 1.275 2.187 1.00 4.21 H new ATOM 0 HA TYR A 55 6.806 3.585 0.334 1.00 31.34 H new ATOM 0 HB2 TYR A 55 5.746 0.737 0.058 1.00 55.11 H new ATOM 0 HB3 TYR A 55 5.472 1.993 -1.133 1.00 55.11 H new ATOM 0 HD1 TYR A 55 7.116 2.440 -2.821 1.00 14.23 H new ATOM 0 HD2 TYR A 55 8.199 0.017 0.508 1.00 32.51 H new ATOM 0 HE1 TYR A 55 9.177 1.790 -3.966 1.00 32.31 H new ATOM 0 HE2 TYR A 55 10.282 -0.584 -0.622 1.00 45.33 H new ATOM 0 HH TYR A 55 11.748 0.156 -2.344 1.00 53.10 H new ATOM 934 N THR A 56 4.532 4.378 0.996 1.00 42.32 N ATOM 935 CA THR A 56 3.170 4.860 1.171 1.00 70.04 C ATOM 936 C THR A 56 2.444 4.755 -0.181 1.00 11.35 C ATOM 937 O THR A 56 2.658 5.569 -1.090 1.00 12.32 O ATOM 938 CB THR A 56 3.183 6.330 1.692 1.00 73.23 C ATOM 939 OG1 THR A 56 3.998 6.414 2.885 1.00 40.41 O ATOM 940 CG2 THR A 56 1.764 6.855 1.998 1.00 42.21 C ATOM 0 H THR A 56 5.193 5.103 0.715 1.00 42.32 H new ATOM 0 HA THR A 56 2.645 4.256 1.911 1.00 70.04 H new ATOM 0 HB THR A 56 3.601 6.954 0.902 1.00 73.23 H new ATOM 0 HG1 THR A 56 4.007 7.338 3.211 1.00 40.41 H new ATOM 0 HG21 THR A 56 1.826 7.882 2.358 1.00 42.21 H new ATOM 0 HG22 THR A 56 1.161 6.824 1.091 1.00 42.21 H new ATOM 0 HG23 THR A 56 1.302 6.230 2.762 1.00 42.21 H new ATOM 948 N VAL A 57 1.631 3.699 -0.313 1.00 75.25 N ATOM 949 CA VAL A 57 0.812 3.451 -1.495 1.00 73.43 C ATOM 950 C VAL A 57 -0.568 4.061 -1.230 1.00 14.34 C ATOM 951 O VAL A 57 -1.364 3.514 -0.450 1.00 3.24 O ATOM 952 CB VAL A 57 0.697 1.906 -1.789 1.00 64.15 C ATOM 953 CG1 VAL A 57 -0.102 1.636 -3.080 1.00 73.14 C ATOM 954 CG2 VAL A 57 2.093 1.245 -1.858 1.00 51.02 C ATOM 0 H VAL A 57 1.526 2.987 0.410 1.00 75.25 H new ATOM 0 HA VAL A 57 1.268 3.906 -2.375 1.00 73.43 H new ATOM 0 HB VAL A 57 0.151 1.456 -0.960 1.00 64.15 H new ATOM 0 HG11 VAL A 57 -0.162 0.561 -3.253 1.00 73.14 H new ATOM 0 HG12 VAL A 57 -1.108 2.044 -2.977 1.00 73.14 H new ATOM 0 HG13 VAL A 57 0.398 2.112 -3.924 1.00 73.14 H new ATOM 0 HG21 VAL A 57 1.982 0.180 -2.062 1.00 51.02 H new ATOM 0 HG22 VAL A 57 2.676 1.708 -2.654 1.00 51.02 H new ATOM 0 HG23 VAL A 57 2.607 1.380 -0.906 1.00 51.02 H new ATOM 964 N GLU A 58 -0.810 5.219 -1.845 1.00 55.24 N ATOM 965 CA GLU A 58 -2.043 5.989 -1.660 1.00 11.22 C ATOM 966 C GLU A 58 -3.091 5.494 -2.661 1.00 11.10 C ATOM 967 O GLU A 58 -3.039 5.819 -3.852 1.00 73.23 O ATOM 968 CB GLU A 58 -1.750 7.505 -1.846 1.00 21.14 C ATOM 969 CG GLU A 58 -0.646 8.043 -0.911 1.00 61.32 C ATOM 970 CD GLU A 58 -0.415 9.555 -1.033 1.00 2.43 C ATOM 971 OE1 GLU A 58 -1.298 10.340 -0.619 1.00 54.20 O ATOM 972 OE2 GLU A 58 0.652 9.979 -1.528 1.00 22.01 O ATOM 0 H GLU A 58 -0.151 5.654 -2.491 1.00 55.24 H new ATOM 0 HA GLU A 58 -2.431 5.848 -0.651 1.00 11.22 H new ATOM 0 HB2 GLU A 58 -1.457 7.685 -2.880 1.00 21.14 H new ATOM 0 HB3 GLU A 58 -2.667 8.067 -1.672 1.00 21.14 H new ATOM 0 HG2 GLU A 58 -0.909 7.807 0.120 1.00 61.32 H new ATOM 0 HG3 GLU A 58 0.287 7.523 -1.129 1.00 61.32 H new ATOM 979 N VAL A 59 -4.009 4.663 -2.163 1.00 2.13 N ATOM 980 CA VAL A 59 -5.065 4.035 -2.958 1.00 44.35 C ATOM 981 C VAL A 59 -6.403 4.745 -2.673 1.00 0.43 C ATOM 982 O VAL A 59 -6.903 4.716 -1.546 1.00 63.11 O ATOM 983 CB VAL A 59 -5.167 2.500 -2.623 1.00 4.44 C ATOM 984 CG1 VAL A 59 -6.154 1.785 -3.562 1.00 15.33 C ATOM 985 CG2 VAL A 59 -3.776 1.815 -2.659 1.00 54.44 C ATOM 0 H VAL A 59 -4.039 4.403 -1.177 1.00 2.13 H new ATOM 0 HA VAL A 59 -4.827 4.131 -4.017 1.00 44.35 H new ATOM 0 HB VAL A 59 -5.552 2.418 -1.606 1.00 4.44 H new ATOM 0 HG11 VAL A 59 -6.201 0.727 -3.304 1.00 15.33 H new ATOM 0 HG12 VAL A 59 -7.144 2.229 -3.455 1.00 15.33 H new ATOM 0 HG13 VAL A 59 -5.818 1.892 -4.593 1.00 15.33 H new ATOM 0 HG21 VAL A 59 -3.885 0.757 -2.423 1.00 54.44 H new ATOM 0 HG22 VAL A 59 -3.343 1.922 -3.654 1.00 54.44 H new ATOM 0 HG23 VAL A 59 -3.120 2.284 -1.926 1.00 54.44 H new ATOM 995 N GLU A 60 -6.966 5.384 -3.707 1.00 63.35 N ATOM 996 CA GLU A 60 -8.196 6.197 -3.612 1.00 30.12 C ATOM 997 C GLU A 60 -9.398 5.391 -4.127 1.00 13.10 C ATOM 998 O GLU A 60 -9.263 4.598 -5.068 1.00 21.14 O ATOM 999 CB GLU A 60 -8.003 7.472 -4.466 1.00 0.41 C ATOM 1000 CG GLU A 60 -9.236 8.400 -4.589 1.00 11.33 C ATOM 1001 CD GLU A 60 -9.009 9.581 -5.551 1.00 63.51 C ATOM 1002 OE1 GLU A 60 -9.113 10.753 -5.132 1.00 63.20 O ATOM 1003 OE2 GLU A 60 -8.711 9.340 -6.737 1.00 43.22 O ATOM 0 H GLU A 60 -6.577 5.353 -4.650 1.00 63.35 H new ATOM 0 HA GLU A 60 -8.387 6.470 -2.574 1.00 30.12 H new ATOM 0 HB2 GLU A 60 -7.180 8.048 -4.042 1.00 0.41 H new ATOM 0 HB3 GLU A 60 -7.698 7.171 -5.468 1.00 0.41 H new ATOM 0 HG2 GLU A 60 -10.089 7.817 -4.934 1.00 11.33 H new ATOM 0 HG3 GLU A 60 -9.492 8.787 -3.603 1.00 11.33 H new ATOM 1010 N ARG A 61 -10.564 5.580 -3.480 1.00 33.44 N ATOM 1011 CA ARG A 61 -11.825 4.948 -3.894 1.00 1.24 C ATOM 1012 C ARG A 61 -12.342 5.576 -5.194 1.00 62.42 C ATOM 1013 O ARG A 61 -12.367 6.802 -5.339 1.00 44.11 O ATOM 1014 CB ARG A 61 -12.895 5.117 -2.792 1.00 41.34 C ATOM 1015 CG ARG A 61 -14.272 4.501 -3.131 1.00 32.02 C ATOM 1016 CD ARG A 61 -14.294 2.971 -3.023 1.00 51.13 C ATOM 1017 NE ARG A 61 -14.348 2.541 -1.622 1.00 55.20 N ATOM 1018 CZ ARG A 61 -15.025 1.483 -1.164 1.00 15.15 C ATOM 1019 NH1 ARG A 61 -15.719 0.701 -1.986 1.00 62.04 N ATOM 1020 NH2 ARG A 61 -15.015 1.235 0.133 1.00 62.41 N ATOM 0 H ARG A 61 -10.655 6.175 -2.657 1.00 33.44 H new ATOM 0 HA ARG A 61 -11.633 3.888 -4.058 1.00 1.24 H new ATOM 0 HB2 ARG A 61 -12.525 4.663 -1.872 1.00 41.34 H new ATOM 0 HB3 ARG A 61 -13.027 6.180 -2.592 1.00 41.34 H new ATOM 0 HG2 ARG A 61 -15.024 4.917 -2.460 1.00 32.02 H new ATOM 0 HG3 ARG A 61 -14.553 4.791 -4.143 1.00 32.02 H new ATOM 0 HD2 ARG A 61 -15.157 2.578 -3.561 1.00 51.13 H new ATOM 0 HD3 ARG A 61 -13.405 2.557 -3.500 1.00 51.13 H new ATOM 0 HE ARG A 61 -13.827 3.094 -0.942 1.00 55.20 H new ATOM 0 HH11 ARG A 61 -15.741 0.904 -2.985 1.00 62.04 H new ATOM 0 HH12 ARG A 61 -16.229 -0.102 -1.617 1.00 62.04 H new ATOM 0 HH21 ARG A 61 -14.497 1.846 0.765 1.00 62.41 H new ATOM 0 HH22 ARG A 61 -15.525 0.433 0.503 1.00 62.41 H new ATOM 1034 N GLN A 62 -12.757 4.710 -6.126 1.00 33.24 N ATOM 1035 CA GLN A 62 -13.433 5.104 -7.371 1.00 41.33 C ATOM 1036 C GLN A 62 -14.664 4.201 -7.558 1.00 2.22 C ATOM 1037 O GLN A 62 -14.574 3.103 -8.138 1.00 41.30 O ATOM 1038 CB GLN A 62 -12.458 5.030 -8.581 1.00 12.25 C ATOM 1039 CG GLN A 62 -11.345 6.096 -8.549 1.00 22.32 C ATOM 1040 CD GLN A 62 -11.869 7.540 -8.586 1.00 61.12 C ATOM 1041 OE1 GLN A 62 -12.896 7.847 -9.201 1.00 12.03 O ATOM 1042 NE2 GLN A 62 -11.173 8.433 -7.916 1.00 40.11 N ATOM 0 H GLN A 62 -12.632 3.702 -6.037 1.00 33.24 H new ATOM 0 HA GLN A 62 -13.762 6.141 -7.310 1.00 41.33 H new ATOM 0 HB2 GLN A 62 -12.000 4.041 -8.607 1.00 12.25 H new ATOM 0 HB3 GLN A 62 -13.029 5.142 -9.503 1.00 12.25 H new ATOM 0 HG2 GLN A 62 -10.749 5.959 -7.647 1.00 22.32 H new ATOM 0 HG3 GLN A 62 -10.680 5.939 -9.398 1.00 22.32 H new ATOM 0 HE21 GLN A 62 -10.329 8.152 -7.417 1.00 40.11 H new ATOM 0 HE22 GLN A 62 -11.478 9.406 -7.895 1.00 40.11 H new ATOM 1051 N GLY A 63 -15.800 4.669 -6.999 1.00 10.15 N ATOM 1052 CA GLY A 63 -17.063 3.935 -7.023 1.00 73.34 C ATOM 1053 C GLY A 63 -17.017 2.679 -6.169 1.00 31.32 C ATOM 1054 O GLY A 63 -16.952 2.759 -4.938 1.00 22.50 O ATOM 0 H GLY A 63 -15.857 5.568 -6.520 1.00 10.15 H new ATOM 0 HA2 GLY A 63 -17.864 4.583 -6.668 1.00 73.34 H new ATOM 0 HA3 GLY A 63 -17.304 3.664 -8.051 1.00 73.34 H new ATOM 1058 N ASN A 64 -17.053 1.509 -6.819 1.00 1.33 N ATOM 1059 CA ASN A 64 -16.991 0.197 -6.135 1.00 31.41 C ATOM 1060 C ASN A 64 -15.541 -0.306 -6.033 1.00 12.21 C ATOM 1061 O ASN A 64 -15.212 -1.099 -5.140 1.00 3.41 O ATOM 1062 CB ASN A 64 -17.856 -0.853 -6.880 1.00 1.25 C ATOM 1063 CG ASN A 64 -19.309 -0.402 -7.058 1.00 3.00 C ATOM 1064 OD1 ASN A 64 -19.661 0.191 -8.079 1.00 74.11 O ATOM 1065 ND2 ASN A 64 -20.160 -0.622 -6.055 1.00 34.41 N ATOM 0 H ASN A 64 -17.126 1.438 -7.834 1.00 1.33 H new ATOM 0 HA ASN A 64 -17.385 0.333 -5.128 1.00 31.41 H new ATOM 0 HB2 ASN A 64 -17.418 -1.050 -7.859 1.00 1.25 H new ATOM 0 HB3 ASN A 64 -17.836 -1.792 -6.327 1.00 1.25 H new ATOM 0 HD21 ASN A 64 -21.124 -0.297 -6.124 1.00 34.41 H new ATOM 0 HD22 ASN A 64 -19.846 -1.115 -5.219 1.00 34.41 H new ATOM 1072 N THR A 65 -14.685 0.152 -6.964 1.00 53.42 N ATOM 1073 CA THR A 65 -13.282 -0.295 -7.085 1.00 71.33 C ATOM 1074 C THR A 65 -12.305 0.700 -6.431 1.00 51.04 C ATOM 1075 O THR A 65 -12.713 1.754 -5.938 1.00 42.42 O ATOM 1076 CB THR A 65 -12.899 -0.496 -8.592 1.00 62.33 C ATOM 1077 OG1 THR A 65 -13.281 0.662 -9.358 1.00 75.22 O ATOM 1078 CG2 THR A 65 -13.579 -1.734 -9.196 1.00 53.41 C ATOM 0 H THR A 65 -14.948 0.849 -7.661 1.00 53.42 H new ATOM 0 HA THR A 65 -13.200 -1.246 -6.558 1.00 71.33 H new ATOM 0 HB THR A 65 -11.819 -0.639 -8.633 1.00 62.33 H new ATOM 0 HG1 THR A 65 -13.036 0.528 -10.297 1.00 75.22 H new ATOM 0 HG21 THR A 65 -13.287 -1.836 -10.241 1.00 53.41 H new ATOM 0 HG22 THR A 65 -13.272 -2.623 -8.645 1.00 53.41 H new ATOM 0 HG23 THR A 65 -14.661 -1.623 -9.131 1.00 53.41 H new ATOM 1086 N TRP A 66 -11.010 0.331 -6.415 1.00 62.35 N ATOM 1087 CA TRP A 66 -9.916 1.144 -5.851 1.00 4.10 C ATOM 1088 C TRP A 66 -8.843 1.386 -6.923 1.00 52.23 C ATOM 1089 O TRP A 66 -8.756 0.616 -7.889 1.00 30.12 O ATOM 1090 CB TRP A 66 -9.296 0.401 -4.644 1.00 52.31 C ATOM 1091 CG TRP A 66 -10.211 0.301 -3.450 1.00 14.22 C ATOM 1092 CD1 TRP A 66 -11.085 -0.710 -3.154 1.00 41.04 C ATOM 1093 CD2 TRP A 66 -10.350 1.267 -2.400 1.00 10.32 C ATOM 1094 NE1 TRP A 66 -11.751 -0.427 -1.990 1.00 3.31 N ATOM 1095 CE2 TRP A 66 -11.316 0.781 -1.510 1.00 32.15 C ATOM 1096 CE3 TRP A 66 -9.743 2.497 -2.126 1.00 3.33 C ATOM 1097 CZ2 TRP A 66 -11.689 1.478 -0.371 1.00 51.01 C ATOM 1098 CZ3 TRP A 66 -10.120 3.194 -0.992 1.00 32.11 C ATOM 1099 CH2 TRP A 66 -11.090 2.681 -0.127 1.00 55.23 C ATOM 0 H TRP A 66 -10.689 -0.557 -6.801 1.00 62.35 H new ATOM 0 HA TRP A 66 -10.310 2.105 -5.521 1.00 4.10 H new ATOM 0 HB2 TRP A 66 -9.012 -0.604 -4.956 1.00 52.31 H new ATOM 0 HB3 TRP A 66 -8.381 0.913 -4.346 1.00 52.31 H new ATOM 0 HD1 TRP A 66 -11.229 -1.599 -3.750 1.00 41.04 H new ATOM 0 HE1 TRP A 66 -12.456 -1.019 -1.552 1.00 3.31 H new ATOM 0 HE3 TRP A 66 -8.991 2.897 -2.790 1.00 3.33 H new ATOM 0 HZ2 TRP A 66 -12.432 1.081 0.304 1.00 51.01 H new ATOM 0 HZ3 TRP A 66 -9.659 4.146 -0.773 1.00 32.11 H new ATOM 0 HH2 TRP A 66 -11.371 3.246 0.750 1.00 55.23 H new ATOM 1110 N THR A 67 -8.019 2.438 -6.749 1.00 52.42 N ATOM 1111 CA THR A 67 -6.939 2.767 -7.703 1.00 72.20 C ATOM 1112 C THR A 67 -5.719 3.344 -6.966 1.00 44.33 C ATOM 1113 O THR A 67 -5.867 4.179 -6.073 1.00 33.43 O ATOM 1114 CB THR A 67 -7.435 3.772 -8.809 1.00 51.12 C ATOM 1115 OG1 THR A 67 -6.382 4.008 -9.768 1.00 51.23 O ATOM 1116 CG2 THR A 67 -7.913 5.113 -8.220 1.00 5.14 C ATOM 0 H THR A 67 -8.080 3.076 -5.956 1.00 52.42 H new ATOM 0 HA THR A 67 -6.644 1.841 -8.197 1.00 72.20 H new ATOM 0 HB THR A 67 -8.292 3.310 -9.300 1.00 51.12 H new ATOM 0 HG1 THR A 67 -6.698 4.633 -10.454 1.00 51.23 H new ATOM 0 HG21 THR A 67 -8.244 5.767 -9.027 1.00 5.14 H new ATOM 0 HG22 THR A 67 -8.742 4.935 -7.535 1.00 5.14 H new ATOM 0 HG23 THR A 67 -7.092 5.587 -7.682 1.00 5.14 H new ATOM 1124 N VAL A 68 -4.515 2.877 -7.329 1.00 25.14 N ATOM 1125 CA VAL A 68 -3.258 3.430 -6.805 1.00 31.02 C ATOM 1126 C VAL A 68 -2.945 4.752 -7.529 1.00 10.25 C ATOM 1127 O VAL A 68 -2.741 4.765 -8.752 1.00 44.43 O ATOM 1128 CB VAL A 68 -2.066 2.419 -6.977 1.00 14.34 C ATOM 1129 CG1 VAL A 68 -0.735 3.015 -6.452 1.00 2.45 C ATOM 1130 CG2 VAL A 68 -2.391 1.070 -6.291 1.00 23.14 C ATOM 0 H VAL A 68 -4.386 2.111 -7.990 1.00 25.14 H new ATOM 0 HA VAL A 68 -3.379 3.613 -5.737 1.00 31.02 H new ATOM 0 HB VAL A 68 -1.935 2.232 -8.043 1.00 14.34 H new ATOM 0 HG11 VAL A 68 0.067 2.289 -6.587 1.00 2.45 H new ATOM 0 HG12 VAL A 68 -0.499 3.923 -7.007 1.00 2.45 H new ATOM 0 HG13 VAL A 68 -0.835 3.252 -5.393 1.00 2.45 H new ATOM 0 HG21 VAL A 68 -1.554 0.384 -6.422 1.00 23.14 H new ATOM 0 HG22 VAL A 68 -2.563 1.235 -5.227 1.00 23.14 H new ATOM 0 HG23 VAL A 68 -3.286 0.640 -6.740 1.00 23.14 H new ATOM 1140 N LYS A 69 -2.949 5.857 -6.768 1.00 25.14 N ATOM 1141 CA LYS A 69 -2.668 7.198 -7.295 1.00 53.12 C ATOM 1142 C LYS A 69 -1.157 7.422 -7.424 1.00 75.22 C ATOM 1143 O LYS A 69 -0.687 7.993 -8.421 1.00 11.23 O ATOM 1144 CB LYS A 69 -3.320 8.268 -6.385 1.00 64.40 C ATOM 1145 CG LYS A 69 -4.847 8.097 -6.182 1.00 41.23 C ATOM 1146 CD LYS A 69 -5.653 8.066 -7.507 1.00 4.43 C ATOM 1147 CE LYS A 69 -5.528 9.359 -8.335 1.00 53.05 C ATOM 1148 NZ LYS A 69 -6.007 10.558 -7.594 1.00 0.25 N ATOM 0 H LYS A 69 -3.148 5.844 -5.768 1.00 25.14 H new ATOM 0 HA LYS A 69 -3.099 7.286 -8.292 1.00 53.12 H new ATOM 0 HB2 LYS A 69 -2.832 8.244 -5.411 1.00 64.40 H new ATOM 0 HB3 LYS A 69 -3.131 9.253 -6.812 1.00 64.40 H new ATOM 0 HG2 LYS A 69 -5.030 7.173 -5.634 1.00 41.23 H new ATOM 0 HG3 LYS A 69 -5.216 8.914 -5.562 1.00 41.23 H new ATOM 0 HD2 LYS A 69 -5.313 7.224 -8.110 1.00 4.43 H new ATOM 0 HD3 LYS A 69 -6.704 7.891 -7.279 1.00 4.43 H new ATOM 0 HE2 LYS A 69 -4.486 9.504 -8.621 1.00 53.05 H new ATOM 0 HE3 LYS A 69 -6.100 9.253 -9.257 1.00 53.05 H new ATOM 0 HZ1 LYS A 69 -6.062 11.368 -8.243 1.00 0.25 H new ATOM 0 HZ2 LYS A 69 -6.949 10.367 -7.197 1.00 0.25 H new ATOM 0 HZ3 LYS A 69 -5.345 10.777 -6.823 1.00 0.25 H new ATOM 1162 N ARG A 70 -0.413 6.970 -6.405 1.00 73.35 N ATOM 1163 CA ARG A 70 1.054 7.008 -6.395 1.00 22.12 C ATOM 1164 C ARG A 70 1.601 6.106 -5.282 1.00 11.44 C ATOM 1165 O ARG A 70 0.987 5.973 -4.215 1.00 42.34 O ATOM 1166 CB ARG A 70 1.579 8.465 -6.198 1.00 70.44 C ATOM 1167 CG ARG A 70 3.121 8.603 -6.212 1.00 21.14 C ATOM 1168 CD ARG A 70 3.627 10.031 -5.938 1.00 24.31 C ATOM 1169 NE ARG A 70 5.100 10.077 -5.921 1.00 42.40 N ATOM 1170 CZ ARG A 70 5.846 11.109 -5.508 1.00 63.23 C ATOM 1171 NH1 ARG A 70 5.289 12.241 -5.066 1.00 63.14 N ATOM 1172 NH2 ARG A 70 7.164 10.999 -5.541 1.00 13.24 N ATOM 0 H ARG A 70 -0.816 6.565 -5.560 1.00 73.35 H new ATOM 0 HA ARG A 70 1.404 6.643 -7.361 1.00 22.12 H new ATOM 0 HB2 ARG A 70 1.164 9.096 -6.984 1.00 70.44 H new ATOM 0 HB3 ARG A 70 1.202 8.848 -5.250 1.00 70.44 H new ATOM 0 HG2 ARG A 70 3.542 7.930 -5.465 1.00 21.14 H new ATOM 0 HG3 ARG A 70 3.495 8.276 -7.182 1.00 21.14 H new ATOM 0 HD2 ARG A 70 3.248 10.708 -6.704 1.00 24.31 H new ATOM 0 HD3 ARG A 70 3.238 10.381 -4.982 1.00 24.31 H new ATOM 0 HE ARG A 70 5.595 9.249 -6.253 1.00 42.40 H new ATOM 0 HH11 ARG A 70 4.274 12.333 -5.038 1.00 63.14 H new ATOM 0 HH12 ARG A 70 5.879 13.013 -4.757 1.00 63.14 H new ATOM 0 HH21 ARG A 70 7.596 10.138 -5.877 1.00 13.24 H new ATOM 0 HH22 ARG A 70 7.748 11.775 -5.230 1.00 13.24 H new ATOM 1186 N ILE A 71 2.739 5.466 -5.569 1.00 11.13 N ATOM 1187 CA ILE A 71 3.555 4.759 -4.582 1.00 23.04 C ATOM 1188 C ILE A 71 4.789 5.630 -4.271 1.00 54.22 C ATOM 1189 O ILE A 71 5.670 5.783 -5.124 1.00 2.32 O ATOM 1190 CB ILE A 71 4.013 3.346 -5.114 1.00 51.02 C ATOM 1191 CG1 ILE A 71 2.778 2.461 -5.464 1.00 33.30 C ATOM 1192 CG2 ILE A 71 4.919 2.644 -4.082 1.00 63.03 C ATOM 1193 CD1 ILE A 71 3.097 1.037 -5.891 1.00 33.35 C ATOM 0 H ILE A 71 3.124 5.425 -6.512 1.00 11.13 H new ATOM 0 HA ILE A 71 2.963 4.590 -3.682 1.00 23.04 H new ATOM 0 HB ILE A 71 4.591 3.494 -6.026 1.00 51.02 H new ATOM 0 HG12 ILE A 71 2.121 2.423 -4.595 1.00 33.30 H new ATOM 0 HG13 ILE A 71 2.220 2.946 -6.265 1.00 33.30 H new ATOM 0 HG21 ILE A 71 5.224 1.671 -4.468 1.00 63.03 H new ATOM 0 HG22 ILE A 71 5.803 3.255 -3.899 1.00 63.03 H new ATOM 0 HG23 ILE A 71 4.371 2.509 -3.149 1.00 63.03 H new ATOM 0 HD11 ILE A 71 2.170 0.507 -6.112 1.00 33.35 H new ATOM 0 HD12 ILE A 71 3.725 1.056 -6.782 1.00 33.35 H new ATOM 0 HD13 ILE A 71 3.625 0.525 -5.086 1.00 33.35 H new ATOM 1205 N THR A 72 4.824 6.236 -3.075 1.00 5.41 N ATOM 1206 CA THR A 72 5.924 7.114 -2.649 1.00 33.11 C ATOM 1207 C THR A 72 6.772 6.401 -1.579 1.00 74.14 C ATOM 1208 O THR A 72 6.306 6.192 -0.457 1.00 3.25 O ATOM 1209 CB THR A 72 5.370 8.466 -2.072 1.00 13.13 C ATOM 1210 OG1 THR A 72 4.363 8.994 -2.951 1.00 62.33 O ATOM 1211 CG2 THR A 72 6.490 9.518 -1.886 1.00 71.14 C ATOM 0 H THR A 72 4.090 6.131 -2.375 1.00 5.41 H new ATOM 0 HA THR A 72 6.543 7.338 -3.518 1.00 33.11 H new ATOM 0 HB THR A 72 4.942 8.253 -1.093 1.00 13.13 H new ATOM 0 HG1 THR A 72 4.019 9.836 -2.586 1.00 62.33 H new ATOM 0 HG21 THR A 72 6.063 10.437 -1.485 1.00 71.14 H new ATOM 0 HG22 THR A 72 7.239 9.134 -1.193 1.00 71.14 H new ATOM 0 HG23 THR A 72 6.958 9.725 -2.848 1.00 71.14 H new ATOM 1219 N ARG A 73 7.998 5.984 -1.944 1.00 72.11 N ATOM 1220 CA ARG A 73 8.973 5.434 -0.981 1.00 41.52 C ATOM 1221 C ARG A 73 9.651 6.589 -0.215 1.00 12.24 C ATOM 1222 O ARG A 73 9.782 7.701 -0.742 1.00 4.41 O ATOM 1223 CB ARG A 73 10.043 4.582 -1.711 1.00 63.12 C ATOM 1224 CG ARG A 73 11.152 3.991 -0.800 1.00 4.32 C ATOM 1225 CD ARG A 73 12.211 3.197 -1.578 1.00 1.25 C ATOM 1226 NE ARG A 73 12.779 3.959 -2.704 1.00 74.12 N ATOM 1227 CZ ARG A 73 13.523 3.435 -3.690 1.00 10.13 C ATOM 1228 NH1 ARG A 73 13.819 2.131 -3.711 1.00 73.43 N ATOM 1229 NH2 ARG A 73 13.964 4.220 -4.661 1.00 23.42 N ATOM 0 H ARG A 73 8.340 6.017 -2.905 1.00 72.11 H new ATOM 0 HA ARG A 73 8.445 4.791 -0.276 1.00 41.52 H new ATOM 0 HB2 ARG A 73 9.542 3.762 -2.225 1.00 63.12 H new ATOM 0 HB3 ARG A 73 10.514 5.198 -2.477 1.00 63.12 H new ATOM 0 HG2 ARG A 73 11.640 4.802 -0.259 1.00 4.32 H new ATOM 0 HG3 ARG A 73 10.694 3.341 -0.055 1.00 4.32 H new ATOM 0 HD2 ARG A 73 13.013 2.907 -0.899 1.00 1.25 H new ATOM 0 HD3 ARG A 73 11.765 2.277 -1.955 1.00 1.25 H new ATOM 0 HE ARG A 73 12.592 4.961 -2.736 1.00 74.12 H new ATOM 0 HH11 ARG A 73 13.478 1.519 -2.970 1.00 73.43 H new ATOM 0 HH12 ARG A 73 14.386 1.749 -4.468 1.00 73.43 H new ATOM 0 HH21 ARG A 73 13.737 5.215 -4.655 1.00 23.42 H new ATOM 0 HH22 ARG A 73 14.530 3.830 -5.415 1.00 23.42 H new ATOM 1243 N THR A 74 10.044 6.305 1.033 1.00 4.32 N ATOM 1244 CA THR A 74 10.845 7.225 1.853 1.00 2.05 C ATOM 1245 C THR A 74 12.254 7.407 1.223 1.00 31.14 C ATOM 1246 O THR A 74 13.026 6.445 1.085 1.00 45.44 O ATOM 1247 CB THR A 74 10.929 6.710 3.341 1.00 51.52 C ATOM 1248 OG1 THR A 74 11.756 7.580 4.128 1.00 63.13 O ATOM 1249 CG2 THR A 74 11.443 5.251 3.465 1.00 24.14 C ATOM 0 H THR A 74 9.816 5.430 1.504 1.00 4.32 H new ATOM 0 HA THR A 74 10.360 8.201 1.876 1.00 2.05 H new ATOM 0 HB THR A 74 9.907 6.719 3.719 1.00 51.52 H new ATOM 0 HG1 THR A 74 11.797 7.248 5.049 1.00 63.13 H new ATOM 0 HG21 THR A 74 11.475 4.965 4.516 1.00 24.14 H new ATOM 0 HG22 THR A 74 10.772 4.582 2.927 1.00 24.14 H new ATOM 0 HG23 THR A 74 12.444 5.180 3.039 1.00 24.14 H new ATOM 1257 N VAL A 75 12.555 8.644 0.784 1.00 54.22 N ATOM 1258 CA VAL A 75 13.840 8.981 0.138 1.00 73.22 C ATOM 1259 C VAL A 75 14.877 9.395 1.214 1.00 11.44 C ATOM 1260 O VAL A 75 14.788 10.476 1.816 1.00 51.11 O ATOM 1261 CB VAL A 75 13.652 10.083 -0.988 1.00 62.45 C ATOM 1262 CG1 VAL A 75 12.940 11.354 -0.460 1.00 60.32 C ATOM 1263 CG2 VAL A 75 15.004 10.424 -1.671 1.00 34.23 C ATOM 0 H VAL A 75 11.917 9.436 0.866 1.00 54.22 H new ATOM 0 HA VAL A 75 14.225 8.097 -0.370 1.00 73.22 H new ATOM 0 HB VAL A 75 12.995 9.655 -1.745 1.00 62.45 H new ATOM 0 HG11 VAL A 75 12.836 12.076 -1.270 1.00 60.32 H new ATOM 0 HG12 VAL A 75 11.953 11.088 -0.083 1.00 60.32 H new ATOM 0 HG13 VAL A 75 13.529 11.794 0.345 1.00 60.32 H new ATOM 0 HG21 VAL A 75 14.843 11.182 -2.438 1.00 34.23 H new ATOM 0 HG22 VAL A 75 15.702 10.804 -0.926 1.00 34.23 H new ATOM 0 HG23 VAL A 75 15.417 9.525 -2.130 1.00 34.23 H new ATOM 1273 N GLY A 76 15.810 8.472 1.521 1.00 10.11 N ATOM 1274 CA GLY A 76 16.936 8.742 2.423 1.00 50.13 C ATOM 1275 C GLY A 76 18.188 9.119 1.649 1.00 42.22 C ATOM 1276 O GLY A 76 19.000 9.928 2.110 1.00 33.03 O ATOM 0 H GLY A 76 15.800 7.522 1.149 1.00 10.11 H new ATOM 0 HA2 GLY A 76 16.672 9.549 3.106 1.00 50.13 H new ATOM 0 HA3 GLY A 76 17.135 7.861 3.033 1.00 50.13 H new ATOM 1280 N SER A 77 18.341 8.526 0.455 1.00 60.21 N ATOM 1281 CA SER A 77 19.481 8.771 -0.435 1.00 40.15 C ATOM 1282 C SER A 77 19.088 9.769 -1.540 1.00 0.12 C ATOM 1283 O SER A 77 18.211 9.477 -2.364 1.00 3.43 O ATOM 1284 CB SER A 77 19.953 7.432 -1.043 1.00 3.51 C ATOM 1285 OG SER A 77 18.858 6.728 -1.617 1.00 21.25 O ATOM 0 H SER A 77 17.669 7.857 0.079 1.00 60.21 H new ATOM 0 HA SER A 77 20.302 9.207 0.135 1.00 40.15 H new ATOM 0 HB2 SER A 77 20.711 7.619 -1.804 1.00 3.51 H new ATOM 0 HB3 SER A 77 20.421 6.821 -0.271 1.00 3.51 H new ATOM 0 HG SER A 77 18.233 7.367 -2.020 1.00 21.25 H new ATOM 1291 N LEU A 78 19.724 10.953 -1.536 1.00 65.51 N ATOM 1292 CA LEU A 78 19.540 11.964 -2.598 1.00 21.34 C ATOM 1293 C LEU A 78 20.438 11.657 -3.818 1.00 23.02 C ATOM 1294 O LEU A 78 21.217 10.691 -3.821 1.00 55.51 O ATOM 1295 CB LEU A 78 19.758 13.408 -2.018 1.00 61.11 C ATOM 1296 CG LEU A 78 21.100 13.720 -1.234 1.00 12.02 C ATOM 1297 CD1 LEU A 78 22.346 13.791 -2.152 1.00 71.21 C ATOM 1298 CD2 LEU A 78 20.975 15.021 -0.404 1.00 1.24 C ATOM 0 H LEU A 78 20.375 11.237 -0.804 1.00 65.51 H new ATOM 0 HA LEU A 78 18.513 11.920 -2.961 1.00 21.34 H new ATOM 0 HB2 LEU A 78 19.689 14.111 -2.848 1.00 61.11 H new ATOM 0 HB3 LEU A 78 18.926 13.624 -1.348 1.00 61.11 H new ATOM 0 HG LEU A 78 21.251 12.877 -0.560 1.00 12.02 H new ATOM 0 HD11 LEU A 78 23.229 14.008 -1.551 1.00 71.21 H new ATOM 0 HD12 LEU A 78 22.478 12.836 -2.660 1.00 71.21 H new ATOM 0 HD13 LEU A 78 22.208 14.580 -2.892 1.00 71.21 H new ATOM 0 HD21 LEU A 78 21.911 15.208 0.122 1.00 1.24 H new ATOM 0 HD22 LEU A 78 20.759 15.857 -1.069 1.00 1.24 H new ATOM 0 HD23 LEU A 78 20.167 14.915 0.320 1.00 1.24 H new ATOM 1310 N GLU A 79 20.315 12.499 -4.847 1.00 1.41 N ATOM 1311 CA GLU A 79 21.071 12.381 -6.106 1.00 53.32 C ATOM 1312 C GLU A 79 21.581 13.772 -6.517 1.00 24.11 C ATOM 1313 O GLU A 79 21.579 14.704 -5.697 1.00 63.10 O ATOM 1314 CB GLU A 79 20.155 11.726 -7.183 1.00 65.41 C ATOM 1315 CG GLU A 79 18.843 12.493 -7.458 1.00 22.54 C ATOM 1316 CD GLU A 79 17.877 11.729 -8.376 1.00 3.50 C ATOM 1317 OE1 GLU A 79 18.026 11.805 -9.608 1.00 33.33 O ATOM 1318 OE2 GLU A 79 16.970 11.040 -7.872 1.00 72.23 O ATOM 0 H GLU A 79 19.679 13.296 -4.833 1.00 1.41 H new ATOM 0 HA GLU A 79 21.945 11.740 -5.988 1.00 53.32 H new ATOM 0 HB2 GLU A 79 20.714 11.641 -8.115 1.00 65.41 H new ATOM 0 HB3 GLU A 79 19.909 10.713 -6.866 1.00 65.41 H new ATOM 0 HG2 GLU A 79 18.346 12.701 -6.511 1.00 22.54 H new ATOM 0 HG3 GLU A 79 19.080 13.455 -7.911 1.00 22.54 H new ATOM 1325 N HIS A 80 22.046 13.899 -7.771 1.00 33.22 N ATOM 1326 CA HIS A 80 22.584 15.165 -8.296 1.00 24.21 C ATOM 1327 C HIS A 80 21.440 16.166 -8.558 1.00 24.21 C ATOM 1328 O HIS A 80 20.686 16.000 -9.522 1.00 22.31 O ATOM 1329 CB HIS A 80 23.377 14.936 -9.616 1.00 50.33 C ATOM 1330 CG HIS A 80 24.522 13.961 -9.517 1.00 42.11 C ATOM 1331 ND1 HIS A 80 25.810 14.335 -9.204 1.00 22.41 N ATOM 1332 CD2 HIS A 80 24.567 12.623 -9.730 1.00 11.11 C ATOM 1333 CE1 HIS A 80 26.590 13.276 -9.232 1.00 22.23 C ATOM 1334 NE2 HIS A 80 25.865 12.228 -9.547 1.00 2.14 N ATOM 0 H HIS A 80 22.060 13.133 -8.445 1.00 33.22 H new ATOM 0 HA HIS A 80 23.262 15.571 -7.546 1.00 24.21 H new ATOM 0 HB2 HIS A 80 22.685 14.582 -10.380 1.00 50.33 H new ATOM 0 HB3 HIS A 80 23.766 15.895 -9.958 1.00 50.33 H new ATOM 0 HD2 HIS A 80 23.735 11.988 -9.995 1.00 11.11 H new ATOM 0 HE1 HIS A 80 27.651 13.270 -9.029 1.00 22.23 H new ATOM 0 HE2 HIS A 80 26.213 11.274 -9.640 1.00 2.14 H new ATOM 1343 N HIS A 81 21.285 17.170 -7.677 1.00 0.04 N ATOM 1344 CA HIS A 81 20.386 18.307 -7.944 1.00 0.24 C ATOM 1345 C HIS A 81 21.185 19.371 -8.713 1.00 75.34 C ATOM 1346 O HIS A 81 22.268 19.777 -8.278 1.00 33.01 O ATOM 1347 CB HIS A 81 19.748 18.865 -6.634 1.00 61.04 C ATOM 1348 CG HIS A 81 20.701 19.493 -5.649 1.00 52.34 C ATOM 1349 ND1 HIS A 81 21.453 18.762 -4.756 1.00 22.01 N ATOM 1350 CD2 HIS A 81 21.004 20.794 -5.405 1.00 12.15 C ATOM 1351 CE1 HIS A 81 22.169 19.577 -4.014 1.00 31.42 C ATOM 1352 NE2 HIS A 81 21.919 20.811 -4.389 1.00 74.33 N ATOM 0 H HIS A 81 21.767 17.218 -6.779 1.00 0.04 H new ATOM 0 HA HIS A 81 19.543 17.981 -8.553 1.00 0.24 H new ATOM 0 HB2 HIS A 81 18.998 19.607 -6.907 1.00 61.04 H new ATOM 0 HB3 HIS A 81 19.224 18.051 -6.133 1.00 61.04 H new ATOM 0 HD2 HIS A 81 20.598 21.654 -5.917 1.00 12.15 H new ATOM 0 HE1 HIS A 81 22.849 19.282 -3.228 1.00 31.42 H new ATOM 0 HE2 HIS A 81 22.340 21.648 -3.986 1.00 74.33 H new ATOM 1361 N HIS A 82 20.677 19.777 -9.885 1.00 21.30 N ATOM 1362 CA HIS A 82 21.389 20.694 -10.799 1.00 75.35 C ATOM 1363 C HIS A 82 21.321 22.148 -10.289 1.00 43.04 C ATOM 1364 O HIS A 82 22.250 22.935 -10.506 1.00 0.12 O ATOM 1365 CB HIS A 82 20.791 20.570 -12.225 1.00 52.12 C ATOM 1366 CG HIS A 82 21.532 21.316 -13.301 1.00 31.24 C ATOM 1367 ND1 HIS A 82 20.899 22.054 -14.276 1.00 40.33 N ATOM 1368 CD2 HIS A 82 22.858 21.401 -13.576 1.00 14.43 C ATOM 1369 CE1 HIS A 82 21.793 22.559 -15.094 1.00 11.40 C ATOM 1370 NE2 HIS A 82 22.989 22.183 -14.696 1.00 2.45 N ATOM 0 H HIS A 82 19.763 19.482 -10.230 1.00 21.30 H new ATOM 0 HA HIS A 82 22.442 20.414 -10.834 1.00 75.35 H new ATOM 0 HB2 HIS A 82 20.756 19.515 -12.496 1.00 52.12 H new ATOM 0 HB3 HIS A 82 19.761 20.927 -12.202 1.00 52.12 H new ATOM 0 HD2 HIS A 82 23.660 20.940 -13.018 1.00 14.43 H new ATOM 0 HE1 HIS A 82 21.582 23.180 -15.952 1.00 11.40 H new ATOM 0 HE2 HIS A 82 23.870 22.432 -15.146 1.00 2.45 H new ATOM 1379 N HIS A 83 20.212 22.486 -9.610 1.00 72.20 N ATOM 1380 CA HIS A 83 19.968 23.829 -9.041 1.00 61.10 C ATOM 1381 C HIS A 83 19.394 23.719 -7.620 1.00 73.24 C ATOM 1382 O HIS A 83 18.979 22.642 -7.185 1.00 35.14 O ATOM 1383 CB HIS A 83 18.999 24.638 -9.950 1.00 64.12 C ATOM 1384 CG HIS A 83 19.550 24.960 -11.320 1.00 2.32 C ATOM 1385 ND1 HIS A 83 20.543 25.887 -11.522 1.00 11.13 N ATOM 1386 CD2 HIS A 83 19.252 24.463 -12.550 1.00 1.35 C ATOM 1387 CE1 HIS A 83 20.828 25.949 -12.806 1.00 11.41 C ATOM 1388 NE2 HIS A 83 20.064 25.101 -13.454 1.00 71.21 N ATOM 0 H HIS A 83 19.450 21.830 -9.437 1.00 72.20 H new ATOM 0 HA HIS A 83 20.921 24.356 -8.990 1.00 61.10 H new ATOM 0 HB2 HIS A 83 18.074 24.073 -10.067 1.00 64.12 H new ATOM 0 HB3 HIS A 83 18.742 25.570 -9.447 1.00 64.12 H new ATOM 0 HD2 HIS A 83 18.514 23.707 -12.774 1.00 1.35 H new ATOM 0 HE1 HIS A 83 21.570 26.593 -13.254 1.00 11.41 H new ATOM 0 HE2 HIS A 83 20.072 24.943 -14.462 1.00 71.21 H new ATOM 1397 N HIS A 84 19.358 24.867 -6.919 1.00 61.53 N ATOM 1398 CA HIS A 84 18.878 24.975 -5.528 1.00 20.03 C ATOM 1399 C HIS A 84 17.370 25.328 -5.507 1.00 11.20 C ATOM 1400 O HIS A 84 16.920 26.145 -4.699 1.00 71.20 O ATOM 1401 CB HIS A 84 19.707 26.067 -4.770 1.00 44.33 C ATOM 1402 CG HIS A 84 21.173 25.756 -4.563 1.00 63.44 C ATOM 1403 ND1 HIS A 84 21.983 26.518 -3.741 1.00 63.13 N ATOM 1404 CD2 HIS A 84 21.971 24.775 -5.051 1.00 20.21 C ATOM 1405 CE1 HIS A 84 23.201 26.019 -3.740 1.00 0.33 C ATOM 1406 NE2 HIS A 84 23.219 24.968 -4.525 1.00 14.25 N ATOM 0 H HIS A 84 19.666 25.758 -7.308 1.00 61.53 H new ATOM 0 HA HIS A 84 19.012 24.016 -5.027 1.00 20.03 H new ATOM 0 HB2 HIS A 84 19.628 27.004 -5.322 1.00 44.33 H new ATOM 0 HB3 HIS A 84 19.249 26.232 -3.795 1.00 44.33 H new ATOM 0 HD2 HIS A 84 21.676 23.988 -5.729 1.00 20.21 H new ATOM 0 HE1 HIS A 84 24.043 26.409 -3.187 1.00 0.33 H new ATOM 0 HE2 HIS A 84 24.035 24.386 -4.714 1.00 14.25 H new ATOM 1415 N HIS A 85 16.589 24.682 -6.393 1.00 53.33 N ATOM 1416 CA HIS A 85 15.140 24.921 -6.527 1.00 44.32 C ATOM 1417 C HIS A 85 14.375 23.684 -6.008 1.00 51.43 C ATOM 1418 O HIS A 85 13.724 23.769 -4.946 1.00 62.01 O ATOM 1419 CB HIS A 85 14.773 25.241 -8.007 1.00 42.34 C ATOM 1420 CG HIS A 85 15.224 26.601 -8.478 1.00 71.22 C ATOM 1421 ND1 HIS A 85 14.348 27.606 -8.820 1.00 35.15 N ATOM 1422 CD2 HIS A 85 16.463 27.114 -8.680 1.00 34.24 C ATOM 1423 CE1 HIS A 85 15.020 28.666 -9.206 1.00 71.14 C ATOM 1424 NE2 HIS A 85 16.302 28.401 -9.134 1.00 54.02 N ATOM 1425 OXT HIS A 85 14.476 22.615 -6.644 1.00 37.58 O ATOM 0 H HIS A 85 16.947 23.977 -7.038 1.00 53.33 H new ATOM 0 HA HIS A 85 14.853 25.786 -5.930 1.00 44.32 H new ATOM 0 HB2 HIS A 85 15.215 24.481 -8.651 1.00 42.34 H new ATOM 0 HB3 HIS A 85 13.692 25.169 -8.125 1.00 42.34 H new ATOM 0 HD2 HIS A 85 17.401 26.606 -8.515 1.00 34.24 H new ATOM 0 HE1 HIS A 85 14.588 29.602 -9.529 1.00 71.14 H new ATOM 0 HE2 HIS A 85 17.056 29.044 -9.375 1.00 54.02 H new TER 1434 HIS A 85