USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=24 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 61 ASN : amide:sc= -1.13 K(o=-1,f=0.14) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0.111 USER MOD Set 2.1: A 52 SER OG : rot -51:sc= 1.1 USER MOD Set 2.2: A 78 TYR OH : rot -12:sc= 2.03 USER MOD Set 3.1: A 17 GLN : amide:sc= -0.795 K(o=-0.75,f=-2.7!) USER MOD Set 3.2: A 33 THR OG1 : rot 110:sc= 0.0407 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.341 USER MOD Single : A 9 CYS SG : rot 180:sc= 0.215 USER MOD Single : A 10 GLN : amide:sc= -1.92 K(o=-1.9,f=-4.4!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.963 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0501) USER MOD Single : A 26 THR OG1 : rot 170:sc= -0.643 USER MOD Single : A 27 ASN : amide:sc= -3.1! K(o=-3.1!,f=-0.21) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.63 X(o=-3.6,f=-3.3) USER MOD Single : A 36 THR OG1 : rot 64:sc= 0.159 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 54 SER OG : rot 106:sc= -0.0998 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.27) USER MOD Single : A 58 CYS SG : rot 23:sc= 0.0266 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -2:sc= 0.232 USER MOD Single : A 70 TYR OH : rot 175:sc= -1.05 USER MOD Single : A 81 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.41) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.765 X(o=-0.76,f=-0.75) USER MOD Single : A 92 SER OG : rot -110:sc= -0.851 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.666 19.131 11.140 1.00 0.00 N ATOM 2 CA GLY A 1 20.369 19.778 11.199 1.00 0.00 C ATOM 3 C GLY A 1 19.559 19.571 9.934 1.00 0.00 C ATOM 4 O GLY A 1 20.055 19.008 8.957 1.00 0.00 O ATOM 0 H1 GLY A 1 21.716 18.387 11.865 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.800 18.708 10.200 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.413 19.834 11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.811 19.390 12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.507 20.846 11.368 1.00 0.00 H new ATOM 8 N SER A 2 18.310 20.025 9.951 1.00 0.00 N ATOM 9 CA SER A 2 17.429 19.881 8.799 1.00 0.00 C ATOM 10 C SER A 2 17.502 21.113 7.902 1.00 0.00 C ATOM 11 O SER A 2 17.656 21.001 6.686 1.00 0.00 O ATOM 12 CB SER A 2 15.987 19.656 9.258 1.00 0.00 C ATOM 13 OG SER A 2 15.832 18.374 9.842 1.00 0.00 O ATOM 0 H SER A 2 17.886 20.496 10.750 1.00 0.00 H new ATOM 0 HA SER A 2 17.760 19.015 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.708 20.424 9.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.312 19.756 8.408 1.00 0.00 H new ATOM 0 HG SER A 2 14.902 18.255 10.129 1.00 0.00 H new ATOM 19 N SER A 3 17.391 22.289 8.512 1.00 0.00 N ATOM 20 CA SER A 3 17.441 23.543 7.769 1.00 0.00 C ATOM 21 C SER A 3 16.397 23.557 6.657 1.00 0.00 C ATOM 22 O SER A 3 16.666 24.005 5.543 1.00 0.00 O ATOM 23 CB SER A 3 18.836 23.755 7.178 1.00 0.00 C ATOM 24 OG SER A 3 19.744 24.213 8.164 1.00 0.00 O ATOM 0 H SER A 3 17.266 22.400 9.518 1.00 0.00 H new ATOM 0 HA SER A 3 17.220 24.356 8.461 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.199 22.820 6.751 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.783 24.478 6.364 1.00 0.00 H new ATOM 0 HG SER A 3 20.628 24.339 7.761 1.00 0.00 H new ATOM 30 N GLY A 4 15.202 23.063 6.969 1.00 0.00 N ATOM 31 CA GLY A 4 14.135 23.028 5.986 1.00 0.00 C ATOM 32 C GLY A 4 12.945 23.874 6.392 1.00 0.00 C ATOM 33 O GLY A 4 13.007 24.614 7.375 1.00 0.00 O ATOM 0 H GLY A 4 14.954 22.687 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.517 23.379 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.812 21.997 5.842 1.00 0.00 H new ATOM 37 N SER A 5 11.858 23.768 5.634 1.00 0.00 N ATOM 38 CA SER A 5 10.650 24.534 5.917 1.00 0.00 C ATOM 39 C SER A 5 9.729 23.767 6.861 1.00 0.00 C ATOM 40 O SER A 5 9.277 24.300 7.875 1.00 0.00 O ATOM 41 CB SER A 5 9.911 24.859 4.618 1.00 0.00 C ATOM 42 OG SER A 5 10.564 25.896 3.906 1.00 0.00 O ATOM 0 H SER A 5 11.789 23.159 4.819 1.00 0.00 H new ATOM 0 HA SER A 5 10.945 25.465 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.854 23.966 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.887 25.157 4.843 1.00 0.00 H new ATOM 0 HG SER A 5 10.073 26.084 3.079 1.00 0.00 H new ATOM 48 N SER A 6 9.456 22.511 6.520 1.00 0.00 N ATOM 49 CA SER A 6 8.585 21.671 7.334 1.00 0.00 C ATOM 50 C SER A 6 7.400 22.470 7.866 1.00 0.00 C ATOM 51 O SER A 6 6.982 22.295 9.009 1.00 0.00 O ATOM 52 CB SER A 6 9.370 21.065 8.499 1.00 0.00 C ATOM 53 OG SER A 6 10.055 22.069 9.229 1.00 0.00 O ATOM 0 H SER A 6 9.825 22.053 5.686 1.00 0.00 H new ATOM 0 HA SER A 6 8.204 20.867 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.689 20.530 9.161 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.085 20.335 8.119 1.00 0.00 H new ATOM 0 HG SER A 6 10.548 21.657 9.969 1.00 0.00 H new ATOM 59 N GLY A 7 6.862 23.349 7.025 1.00 0.00 N ATOM 60 CA GLY A 7 5.730 24.163 7.427 1.00 0.00 C ATOM 61 C GLY A 7 4.425 23.391 7.409 1.00 0.00 C ATOM 62 O GLY A 7 3.634 23.474 8.348 1.00 0.00 O ATOM 0 H GLY A 7 7.190 23.511 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.904 24.552 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.650 25.022 6.761 1.00 0.00 H new ATOM 66 N GLY A 8 4.199 22.639 6.336 1.00 0.00 N ATOM 67 CA GLY A 8 2.979 21.862 6.219 1.00 0.00 C ATOM 68 C GLY A 8 2.826 21.227 4.851 1.00 0.00 C ATOM 69 O GLY A 8 2.469 21.900 3.883 1.00 0.00 O ATOM 0 H GLY A 8 4.839 22.554 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.974 21.082 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.122 22.506 6.416 1.00 0.00 H new ATOM 73 N CYS A 9 3.096 19.929 4.769 1.00 0.00 N ATOM 74 CA CYS A 9 2.989 19.203 3.509 1.00 0.00 C ATOM 75 C CYS A 9 1.533 18.877 3.192 1.00 0.00 C ATOM 76 O CYS A 9 0.654 19.034 4.039 1.00 0.00 O ATOM 77 CB CYS A 9 3.812 17.916 3.565 1.00 0.00 C ATOM 78 SG CYS A 9 5.448 18.117 4.309 1.00 0.00 S ATOM 0 H CYS A 9 3.391 19.358 5.561 1.00 0.00 H new ATOM 0 HA CYS A 9 3.381 19.841 2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.257 17.167 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.930 17.529 2.553 1.00 0.00 H new ATOM 0 HG CYS A 9 6.066 16.973 4.313 1.00 0.00 H new ATOM 84 N GLN A 10 1.286 18.425 1.967 1.00 0.00 N ATOM 85 CA GLN A 10 -0.064 18.079 1.538 1.00 0.00 C ATOM 86 C GLN A 10 -0.174 16.589 1.235 1.00 0.00 C ATOM 87 O GLN A 10 0.056 16.140 0.112 1.00 0.00 O ATOM 88 CB GLN A 10 -0.453 18.893 0.302 1.00 0.00 C ATOM 89 CG GLN A 10 -0.690 20.366 0.593 1.00 0.00 C ATOM 90 CD GLN A 10 -1.266 20.602 1.975 1.00 0.00 C ATOM 91 OE1 GLN A 10 -0.533 20.862 2.930 1.00 0.00 O ATOM 92 NE2 GLN A 10 -2.586 20.513 2.090 1.00 0.00 N ATOM 0 H GLN A 10 2.003 18.290 1.254 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.749 18.317 2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.335 18.801 -0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.357 18.467 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.251 20.907 0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.369 20.775 -0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.156 20.295 1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.030 20.662 2.996 1.00 0.00 H new ATOM 101 N PRO A 11 -0.533 15.801 2.260 1.00 0.00 N ATOM 102 CA PRO A 11 -0.682 14.349 2.128 1.00 0.00 C ATOM 103 C PRO A 11 -1.891 13.965 1.281 1.00 0.00 C ATOM 104 O PRO A 11 -2.150 12.783 1.053 1.00 0.00 O ATOM 105 CB PRO A 11 -0.870 13.879 3.572 1.00 0.00 C ATOM 106 CG PRO A 11 -1.429 15.061 4.285 1.00 0.00 C ATOM 107 CD PRO A 11 -0.822 16.268 3.626 1.00 0.00 C ATOM 0 HA PRO A 11 0.172 13.896 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.548 13.027 3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.076 13.562 4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.516 15.082 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.181 15.030 5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.510 17.114 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.083 16.594 4.139 1.00 0.00 H new ATOM 115 N SER A 12 -2.626 14.970 0.817 1.00 0.00 N ATOM 116 CA SER A 12 -3.810 14.737 -0.002 1.00 0.00 C ATOM 117 C SER A 12 -3.427 14.532 -1.465 1.00 0.00 C ATOM 118 O SER A 12 -4.020 13.712 -2.164 1.00 0.00 O ATOM 119 CB SER A 12 -4.782 15.911 0.123 1.00 0.00 C ATOM 120 OG SER A 12 -4.254 17.077 -0.485 1.00 0.00 O ATOM 0 H SER A 12 -2.423 15.954 0.994 1.00 0.00 H new ATOM 0 HA SER A 12 -4.298 13.831 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.732 15.652 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.987 16.107 1.175 1.00 0.00 H new ATOM 0 HG SER A 12 -4.895 17.813 -0.393 1.00 0.00 H new ATOM 126 N ARG A 13 -2.430 15.285 -1.919 1.00 0.00 N ATOM 127 CA ARG A 13 -1.968 15.189 -3.299 1.00 0.00 C ATOM 128 C ARG A 13 -1.452 13.785 -3.602 1.00 0.00 C ATOM 129 O ARG A 13 -1.204 13.440 -4.757 1.00 0.00 O ATOM 130 CB ARG A 13 -0.866 16.217 -3.562 1.00 0.00 C ATOM 131 CG ARG A 13 -1.241 17.631 -3.152 1.00 0.00 C ATOM 132 CD ARG A 13 -2.008 18.346 -4.253 1.00 0.00 C ATOM 133 NE ARG A 13 -2.899 19.374 -3.721 1.00 0.00 N ATOM 134 CZ ARG A 13 -4.061 19.109 -3.135 1.00 0.00 C ATOM 135 NH1 ARG A 13 -4.471 17.855 -3.006 1.00 0.00 N ATOM 136 NH2 ARG A 13 -4.815 20.099 -2.676 1.00 0.00 N ATOM 0 H ARG A 13 -1.927 15.968 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.813 15.397 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.034 15.918 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.620 16.209 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.847 17.600 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.338 18.193 -2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.303 18.802 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.590 17.619 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.613 20.350 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.894 17.091 -3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.364 17.654 -2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.503 21.065 -2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.707 19.894 -2.226 1.00 0.00 H new ATOM 150 N VAL A 14 -1.293 12.980 -2.557 1.00 0.00 N ATOM 151 CA VAL A 14 -0.808 11.614 -2.711 1.00 0.00 C ATOM 152 C VAL A 14 -1.905 10.697 -3.242 1.00 0.00 C ATOM 153 O VAL A 14 -3.083 10.881 -2.935 1.00 0.00 O ATOM 154 CB VAL A 14 -0.284 11.050 -1.377 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.538 9.793 -1.614 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.532 12.100 -0.639 1.00 0.00 C ATOM 0 H VAL A 14 -1.493 13.250 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 14 0.011 11.649 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.138 10.783 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.899 9.409 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.083 9.038 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.387 10.029 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.894 11.684 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.380 12.400 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.093 12.969 -0.435 1.00 0.00 H new ATOM 166 N GLN A 15 -1.510 9.710 -4.039 1.00 0.00 N ATOM 167 CA GLN A 15 -2.461 8.765 -4.612 1.00 0.00 C ATOM 168 C GLN A 15 -1.897 7.348 -4.596 1.00 0.00 C ATOM 169 O GLN A 15 -0.721 7.134 -4.887 1.00 0.00 O ATOM 170 CB GLN A 15 -2.813 9.170 -6.045 1.00 0.00 C ATOM 171 CG GLN A 15 -3.320 10.598 -6.167 1.00 0.00 C ATOM 172 CD GLN A 15 -3.793 10.932 -7.568 1.00 0.00 C ATOM 173 OE1 GLN A 15 -4.953 11.288 -7.775 1.00 0.00 O ATOM 174 NE2 GLN A 15 -2.894 10.818 -8.539 1.00 0.00 N ATOM 0 H GLN A 15 -0.539 9.544 -4.303 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.365 8.784 -4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.931 9.052 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.573 8.490 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.140 10.749 -5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.525 11.287 -5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.943 10.519 -8.321 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.154 11.029 -9.502 1.00 0.00 H new ATOM 183 N ALA A 16 -2.744 6.383 -4.252 1.00 0.00 N ATOM 184 CA ALA A 16 -2.331 4.987 -4.199 1.00 0.00 C ATOM 185 C ALA A 16 -3.367 4.082 -4.856 1.00 0.00 C ATOM 186 O ALA A 16 -4.515 4.017 -4.416 1.00 0.00 O ATOM 187 CB ALA A 16 -2.093 4.561 -2.758 1.00 0.00 C ATOM 0 H ALA A 16 -3.721 6.543 -4.006 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.398 4.889 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.785 3.516 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.310 5.180 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.013 4.681 -2.186 1.00 0.00 H new ATOM 193 N GLN A 17 -2.956 3.387 -5.912 1.00 0.00 N ATOM 194 CA GLN A 17 -3.850 2.487 -6.630 1.00 0.00 C ATOM 195 C GLN A 17 -3.107 1.242 -7.102 1.00 0.00 C ATOM 196 O GLN A 17 -1.879 1.183 -7.050 1.00 0.00 O ATOM 197 CB GLN A 17 -4.478 3.205 -7.826 1.00 0.00 C ATOM 198 CG GLN A 17 -3.457 3.762 -8.805 1.00 0.00 C ATOM 199 CD GLN A 17 -3.086 2.769 -9.889 1.00 0.00 C ATOM 200 OE1 GLN A 17 -2.074 2.075 -9.791 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.906 2.697 -10.931 1.00 0.00 N ATOM 0 H GLN A 17 -2.009 3.430 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.639 2.178 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.133 2.511 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.103 4.021 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.857 4.665 -9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.558 4.053 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.734 3.292 -10.971 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.708 2.047 -11.692 1.00 0.00 H new ATOM 210 N GLY A 18 -3.860 0.247 -7.562 1.00 0.00 N ATOM 211 CA GLY A 18 -3.255 -0.983 -8.037 1.00 0.00 C ATOM 212 C GLY A 18 -3.929 -2.217 -7.470 1.00 0.00 C ATOM 213 O GLY A 18 -4.932 -2.132 -6.761 1.00 0.00 O ATOM 0 H GLY A 18 -4.878 0.271 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.306 -1.013 -9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.199 -0.993 -7.767 1.00 0.00 H new ATOM 217 N PRO A 19 -3.375 -3.397 -7.786 1.00 0.00 N ATOM 218 CA PRO A 19 -3.914 -4.676 -7.315 1.00 0.00 C ATOM 219 C PRO A 19 -3.715 -4.873 -5.816 1.00 0.00 C ATOM 220 O PRO A 19 -4.614 -5.336 -5.116 1.00 0.00 O ATOM 221 CB PRO A 19 -3.108 -5.712 -8.102 1.00 0.00 C ATOM 222 CG PRO A 19 -1.830 -5.023 -8.437 1.00 0.00 C ATOM 223 CD PRO A 19 -2.179 -3.573 -8.627 1.00 0.00 C ATOM 0 HA PRO A 19 -4.991 -4.746 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.930 -6.609 -7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.637 -6.025 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.099 -5.147 -7.638 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.387 -5.440 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.366 -2.919 -8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.385 -3.343 -9.672 1.00 0.00 H new ATOM 231 N GLY A 20 -2.530 -4.517 -5.330 1.00 0.00 N ATOM 232 CA GLY A 20 -2.234 -4.662 -3.916 1.00 0.00 C ATOM 233 C GLY A 20 -3.247 -3.956 -3.037 1.00 0.00 C ATOM 234 O GLY A 20 -3.327 -4.217 -1.836 1.00 0.00 O ATOM 0 H GLY A 20 -1.770 -4.131 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.210 -5.721 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.240 -4.263 -3.713 1.00 0.00 H new ATOM 238 N LEU A 21 -4.023 -3.058 -3.634 1.00 0.00 N ATOM 239 CA LEU A 21 -5.036 -2.311 -2.897 1.00 0.00 C ATOM 240 C LEU A 21 -6.429 -2.868 -3.169 1.00 0.00 C ATOM 241 O LEU A 21 -7.293 -2.868 -2.291 1.00 0.00 O ATOM 242 CB LEU A 21 -4.983 -0.830 -3.277 1.00 0.00 C ATOM 243 CG LEU A 21 -3.645 -0.126 -3.050 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.663 1.266 -3.663 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.327 -0.052 -1.564 1.00 0.00 C ATOM 0 H LEU A 21 -3.970 -2.830 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.825 -2.414 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.246 -0.736 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.749 -0.302 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.863 -0.706 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.702 1.752 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.844 1.189 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.455 1.856 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.371 0.452 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.111 0.505 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.270 -1.060 -1.153 1.00 0.00 H new ATOM 257 N LYS A 22 -6.642 -3.345 -4.391 1.00 0.00 N ATOM 258 CA LYS A 22 -7.929 -3.909 -4.779 1.00 0.00 C ATOM 259 C LYS A 22 -8.130 -5.287 -4.156 1.00 0.00 C ATOM 260 O LYS A 22 -9.139 -5.538 -3.497 1.00 0.00 O ATOM 261 CB LYS A 22 -8.027 -4.008 -6.303 1.00 0.00 C ATOM 262 CG LYS A 22 -8.293 -2.677 -6.983 1.00 0.00 C ATOM 263 CD LYS A 22 -8.764 -2.866 -8.416 1.00 0.00 C ATOM 264 CE LYS A 22 -9.231 -1.554 -9.027 1.00 0.00 C ATOM 265 NZ LYS A 22 -10.544 -1.121 -8.475 1.00 0.00 N ATOM 0 H LYS A 22 -5.939 -3.352 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.713 -3.246 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.099 -4.426 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.824 -4.705 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.047 -2.125 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.384 -2.075 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.953 -3.279 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.579 -3.590 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.486 -0.781 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.311 -1.665 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.900 -0.310 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.223 -1.906 -8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.428 -0.844 -7.479 1.00 0.00 H new ATOM 279 N GLU A 23 -7.162 -6.174 -4.367 1.00 0.00 N ATOM 280 CA GLU A 23 -7.234 -7.525 -3.824 1.00 0.00 C ATOM 281 C GLU A 23 -5.860 -8.189 -3.835 1.00 0.00 C ATOM 282 O GLU A 23 -5.052 -7.954 -4.733 1.00 0.00 O ATOM 283 CB GLU A 23 -8.227 -8.369 -4.626 1.00 0.00 C ATOM 284 CG GLU A 23 -7.755 -8.689 -6.034 1.00 0.00 C ATOM 285 CD GLU A 23 -8.898 -9.040 -6.967 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.992 -8.459 -6.811 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.697 -9.897 -7.854 1.00 0.00 O ATOM 0 H GLU A 23 -6.320 -5.981 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.578 -7.457 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.412 -9.302 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.178 -7.840 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.214 -7.832 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.052 -9.521 -5.997 1.00 0.00 H new ATOM 294 N ALA A 24 -5.604 -9.021 -2.830 1.00 0.00 N ATOM 295 CA ALA A 24 -4.329 -9.720 -2.725 1.00 0.00 C ATOM 296 C ALA A 24 -4.538 -11.197 -2.404 1.00 0.00 C ATOM 297 O ALA A 24 -5.672 -11.673 -2.335 1.00 0.00 O ATOM 298 CB ALA A 24 -3.455 -9.067 -1.665 1.00 0.00 C ATOM 0 H ALA A 24 -6.262 -9.227 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.825 -9.652 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.506 -9.599 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.270 -8.028 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.962 -9.106 -0.701 1.00 0.00 H new ATOM 304 N PHE A 25 -3.439 -11.917 -2.209 1.00 0.00 N ATOM 305 CA PHE A 25 -3.502 -13.340 -1.898 1.00 0.00 C ATOM 306 C PHE A 25 -2.434 -13.721 -0.877 1.00 0.00 C ATOM 307 O PHE A 25 -1.546 -12.927 -0.563 1.00 0.00 O ATOM 308 CB PHE A 25 -3.327 -14.171 -3.171 1.00 0.00 C ATOM 309 CG PHE A 25 -4.620 -14.475 -3.870 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.284 -13.492 -4.587 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.172 -15.745 -3.813 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.475 -13.770 -5.231 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.363 -16.029 -4.455 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.014 -15.040 -5.166 1.00 0.00 C ATOM 0 H PHE A 25 -2.493 -11.538 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.482 -13.549 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.669 -13.637 -3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.831 -15.108 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.866 -12.498 -4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.665 -16.522 -3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.984 -12.995 -5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.784 -17.022 -4.401 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.943 -15.259 -5.671 1.00 0.00 H new ATOM 324 N THR A 26 -2.526 -14.943 -0.361 1.00 0.00 N ATOM 325 CA THR A 26 -1.570 -15.430 0.626 1.00 0.00 C ATOM 326 C THR A 26 -0.283 -15.901 -0.042 1.00 0.00 C ATOM 327 O THR A 26 -0.313 -16.718 -0.961 1.00 0.00 O ATOM 328 CB THR A 26 -2.159 -16.587 1.455 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.654 -17.610 0.584 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.281 -16.092 2.354 1.00 0.00 C ATOM 0 H THR A 26 -3.253 -15.614 -0.610 1.00 0.00 H new ATOM 0 HA THR A 26 -1.347 -14.595 1.290 1.00 0.00 H new ATOM 0 HB THR A 26 -1.367 -16.996 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.878 -18.407 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.681 -16.927 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.894 -15.334 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.073 -15.660 1.743 1.00 0.00 H new ATOM 338 N ASN A 27 0.846 -15.380 0.427 1.00 0.00 N ATOM 339 CA ASN A 27 2.145 -15.749 -0.125 1.00 0.00 C ATOM 340 C ASN A 27 2.247 -15.341 -1.592 1.00 0.00 C ATOM 341 O ASN A 27 2.924 -15.997 -2.384 1.00 0.00 O ATOM 342 CB ASN A 27 2.372 -17.255 0.014 1.00 0.00 C ATOM 343 CG ASN A 27 2.423 -17.701 1.463 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.435 -18.226 1.927 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.327 -17.494 2.184 1.00 0.00 N ATOM 0 H ASN A 27 0.888 -14.701 1.187 1.00 0.00 H new ATOM 0 HA ASN A 27 2.915 -15.219 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.573 -17.789 -0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.305 -17.526 -0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.301 -17.774 3.165 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.511 -17.055 1.757 1.00 0.00 H new ATOM 352 N LYS A 28 1.573 -14.253 -1.946 1.00 0.00 N ATOM 353 CA LYS A 28 1.588 -13.754 -3.316 1.00 0.00 C ATOM 354 C LYS A 28 2.089 -12.314 -3.365 1.00 0.00 C ATOM 355 O LYS A 28 1.819 -11.507 -2.476 1.00 0.00 O ATOM 356 CB LYS A 28 0.188 -13.840 -3.928 1.00 0.00 C ATOM 357 CG LYS A 28 -0.166 -15.223 -4.446 1.00 0.00 C ATOM 358 CD LYS A 28 -1.129 -15.150 -5.618 1.00 0.00 C ATOM 359 CE LYS A 28 -2.011 -16.387 -5.692 1.00 0.00 C ATOM 360 NZ LYS A 28 -3.087 -16.241 -6.711 1.00 0.00 N ATOM 0 H LYS A 28 1.008 -13.699 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 28 2.269 -14.377 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.546 -13.543 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.114 -13.125 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.743 -15.741 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.612 -15.810 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.753 -14.262 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.567 -15.046 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.398 -17.256 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.458 -16.573 -4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.666 -17.105 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.687 -15.427 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.660 -16.089 -7.647 1.00 0.00 H new ATOM 374 N PRO A 29 2.835 -11.982 -4.429 1.00 0.00 N ATOM 375 CA PRO A 29 3.387 -10.638 -4.621 1.00 0.00 C ATOM 376 C PRO A 29 2.308 -9.607 -4.934 1.00 0.00 C ATOM 377 O PRO A 29 1.708 -9.630 -6.007 1.00 0.00 O ATOM 378 CB PRO A 29 4.328 -10.808 -5.817 1.00 0.00 C ATOM 379 CG PRO A 29 3.783 -11.975 -6.564 1.00 0.00 C ATOM 380 CD PRO A 29 3.197 -12.894 -5.528 1.00 0.00 C ATOM 0 HA PRO A 29 3.881 -10.268 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.344 -9.913 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.353 -10.989 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.024 -11.660 -7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.568 -12.476 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.327 -13.428 -5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.916 -13.647 -5.205 1.00 0.00 H new ATOM 388 N ASN A 30 2.067 -8.705 -3.988 1.00 0.00 N ATOM 389 CA ASN A 30 1.059 -7.665 -4.164 1.00 0.00 C ATOM 390 C ASN A 30 1.698 -6.280 -4.149 1.00 0.00 C ATOM 391 O ASN A 30 2.208 -5.830 -3.123 1.00 0.00 O ATOM 392 CB ASN A 30 -0.001 -7.762 -3.064 1.00 0.00 C ATOM 393 CG ASN A 30 -0.238 -9.191 -2.614 1.00 0.00 C ATOM 394 OD1 ASN A 30 -0.944 -9.952 -3.275 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.353 -9.560 -1.484 1.00 0.00 N ATOM 0 H ASN A 30 2.555 -8.673 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 30 0.583 -7.815 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.310 -7.162 -2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.937 -7.338 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.230 -10.509 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.930 -8.895 -0.969 1.00 0.00 H new ATOM 402 N VAL A 31 1.666 -5.607 -5.296 1.00 0.00 N ATOM 403 CA VAL A 31 2.240 -4.272 -5.415 1.00 0.00 C ATOM 404 C VAL A 31 1.189 -3.259 -5.854 1.00 0.00 C ATOM 405 O VAL A 31 0.065 -3.625 -6.199 1.00 0.00 O ATOM 406 CB VAL A 31 3.408 -4.251 -6.419 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.459 -5.282 -6.037 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.900 -4.494 -7.832 1.00 0.00 C ATOM 0 H VAL A 31 1.249 -5.965 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 31 2.614 -3.999 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 31 3.873 -3.265 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.276 -5.253 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.844 -5.058 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.011 -6.276 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.738 -4.476 -8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.409 -5.466 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.188 -3.714 -8.102 1.00 0.00 H new ATOM 418 N PHE A 32 1.562 -1.984 -5.839 1.00 0.00 N ATOM 419 CA PHE A 32 0.651 -0.916 -6.236 1.00 0.00 C ATOM 420 C PHE A 32 1.421 0.350 -6.596 1.00 0.00 C ATOM 421 O PHE A 32 2.582 0.514 -6.218 1.00 0.00 O ATOM 422 CB PHE A 32 -0.342 -0.620 -5.110 1.00 0.00 C ATOM 423 CG PHE A 32 0.298 -0.533 -3.754 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.444 -1.665 -2.969 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.753 0.680 -3.265 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.032 -1.588 -1.720 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.341 0.764 -2.017 1.00 0.00 C ATOM 428 CZ PHE A 32 1.482 -0.372 -1.244 1.00 0.00 C ATOM 0 H PHE A 32 2.489 -1.665 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 32 0.102 -1.249 -7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.852 0.320 -5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.104 -1.399 -5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.095 -2.618 -3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.647 1.571 -3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.139 -2.478 -1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.690 1.717 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.943 -0.310 -0.269 1.00 0.00 H new ATOM 438 N THR A 33 0.768 1.245 -7.331 1.00 0.00 N ATOM 439 CA THR A 33 1.390 2.496 -7.744 1.00 0.00 C ATOM 440 C THR A 33 1.095 3.612 -6.749 1.00 0.00 C ATOM 441 O THR A 33 -0.032 3.751 -6.272 1.00 0.00 O ATOM 442 CB THR A 33 0.907 2.929 -9.141 1.00 0.00 C ATOM 443 OG1 THR A 33 0.997 1.829 -10.053 1.00 0.00 O ATOM 444 CG2 THR A 33 1.734 4.095 -9.663 1.00 0.00 C ATOM 0 H THR A 33 -0.193 1.126 -7.653 1.00 0.00 H new ATOM 0 HA THR A 33 2.465 2.318 -7.778 1.00 0.00 H new ATOM 0 HB THR A 33 -0.132 3.249 -9.059 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.096 1.523 -10.287 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.374 4.383 -10.651 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.641 4.941 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.780 3.797 -9.731 1.00 0.00 H new ATOM 452 N VAL A 34 2.114 4.407 -6.438 1.00 0.00 N ATOM 453 CA VAL A 34 1.963 5.513 -5.500 1.00 0.00 C ATOM 454 C VAL A 34 2.567 6.796 -6.061 1.00 0.00 C ATOM 455 O VAL A 34 3.787 6.933 -6.151 1.00 0.00 O ATOM 456 CB VAL A 34 2.627 5.196 -4.147 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.391 6.327 -3.158 1.00 0.00 C ATOM 458 CG2 VAL A 34 2.105 3.878 -3.595 1.00 0.00 C ATOM 0 H VAL A 34 3.053 4.306 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 34 0.893 5.654 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 34 3.702 5.100 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.867 6.085 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.816 7.250 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.320 6.458 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.584 3.669 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.026 3.945 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.330 3.075 -4.297 1.00 0.00 H new ATOM 468 N VAL A 35 1.704 7.735 -6.437 1.00 0.00 N ATOM 469 CA VAL A 35 2.152 9.008 -6.988 1.00 0.00 C ATOM 470 C VAL A 35 2.328 10.051 -5.890 1.00 0.00 C ATOM 471 O VAL A 35 1.387 10.367 -5.162 1.00 0.00 O ATOM 472 CB VAL A 35 1.160 9.546 -8.037 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.618 10.899 -8.560 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.999 8.551 -9.176 1.00 0.00 C ATOM 0 H VAL A 35 0.691 7.638 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 35 3.113 8.824 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 35 0.189 9.678 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.905 11.263 -9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.677 11.607 -7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.600 10.797 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.295 8.947 -9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.965 8.386 -9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.622 7.607 -8.784 1.00 0.00 H new ATOM 484 N THR A 36 3.541 10.582 -5.775 1.00 0.00 N ATOM 485 CA THR A 36 3.842 11.589 -4.765 1.00 0.00 C ATOM 486 C THR A 36 4.587 12.773 -5.373 1.00 0.00 C ATOM 487 O THR A 36 5.611 13.209 -4.849 1.00 0.00 O ATOM 488 CB THR A 36 4.686 11.001 -3.619 1.00 0.00 C ATOM 489 OG1 THR A 36 5.943 10.536 -4.125 1.00 0.00 O ATOM 490 CG2 THR A 36 3.951 9.855 -2.940 1.00 0.00 C ATOM 0 H THR A 36 4.331 10.331 -6.369 1.00 0.00 H new ATOM 0 HA THR A 36 2.887 11.930 -4.365 1.00 0.00 H new ATOM 0 HB THR A 36 4.860 11.787 -2.884 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.453 11.294 -4.480 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.566 9.455 -2.134 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.008 10.219 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.751 9.069 -3.668 1.00 0.00 H new ATOM 498 N ARG A 37 4.065 13.288 -6.482 1.00 0.00 N ATOM 499 CA ARG A 37 4.681 14.421 -7.161 1.00 0.00 C ATOM 500 C ARG A 37 3.965 15.721 -6.808 1.00 0.00 C ATOM 501 O ARG A 37 2.956 16.072 -7.418 1.00 0.00 O ATOM 502 CB ARG A 37 4.658 14.209 -8.676 1.00 0.00 C ATOM 503 CG ARG A 37 5.140 12.833 -9.106 1.00 0.00 C ATOM 504 CD ARG A 37 6.654 12.788 -9.234 1.00 0.00 C ATOM 505 NE ARG A 37 7.303 12.497 -7.958 1.00 0.00 N ATOM 506 CZ ARG A 37 8.583 12.750 -7.710 1.00 0.00 C ATOM 507 NH1 ARG A 37 9.347 13.297 -8.645 1.00 0.00 N ATOM 508 NH2 ARG A 37 9.101 12.457 -6.524 1.00 0.00 N ATOM 0 H ARG A 37 3.217 12.938 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 37 5.716 14.494 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.641 14.359 -9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.281 14.967 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.813 12.089 -8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.685 12.569 -10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.934 12.029 -9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.014 13.744 -9.614 1.00 0.00 H new ATOM 0 HE ARG A 37 6.742 12.076 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.952 13.525 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.330 13.490 -8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.516 12.037 -5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.084 12.652 -6.335 1.00 0.00 H new ATOM 522 N GLY A 38 4.496 16.433 -5.818 1.00 0.00 N ATOM 523 CA GLY A 38 3.895 17.686 -5.400 1.00 0.00 C ATOM 524 C GLY A 38 3.211 17.580 -4.051 1.00 0.00 C ATOM 525 O GLY A 38 2.520 18.504 -3.624 1.00 0.00 O ATOM 0 H GLY A 38 5.332 16.164 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.664 18.457 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.169 18.004 -6.148 1.00 0.00 H new ATOM 529 N ALA A 39 3.402 16.449 -3.380 1.00 0.00 N ATOM 530 CA ALA A 39 2.799 16.225 -2.072 1.00 0.00 C ATOM 531 C ALA A 39 3.439 17.116 -1.013 1.00 0.00 C ATOM 532 O ALA A 39 2.746 17.738 -0.209 1.00 0.00 O ATOM 533 CB ALA A 39 2.922 14.761 -1.677 1.00 0.00 C ATOM 0 H ALA A 39 3.970 15.673 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 39 1.742 16.484 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.467 14.609 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.412 14.141 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.975 14.483 -1.635 1.00 0.00 H new ATOM 539 N GLY A 40 4.768 17.173 -1.017 1.00 0.00 N ATOM 540 CA GLY A 40 5.479 17.990 -0.052 1.00 0.00 C ATOM 541 C GLY A 40 6.884 17.487 0.210 1.00 0.00 C ATOM 542 O GLY A 40 7.704 17.412 -0.705 1.00 0.00 O ATOM 0 H GLY A 40 5.364 16.667 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.526 19.017 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.922 18.008 0.885 1.00 0.00 H new ATOM 546 N ILE A 41 7.164 17.143 1.463 1.00 0.00 N ATOM 547 CA ILE A 41 8.481 16.646 1.842 1.00 0.00 C ATOM 548 C ILE A 41 8.481 15.125 1.961 1.00 0.00 C ATOM 549 O ILE A 41 7.425 14.493 1.975 1.00 0.00 O ATOM 550 CB ILE A 41 8.949 17.254 3.177 1.00 0.00 C ATOM 551 CG1 ILE A 41 8.732 18.768 3.177 1.00 0.00 C ATOM 552 CG2 ILE A 41 10.413 16.923 3.425 1.00 0.00 C ATOM 553 CD1 ILE A 41 8.819 19.391 4.553 1.00 0.00 C ATOM 0 H ILE A 41 6.497 17.199 2.232 1.00 0.00 H new ATOM 0 HA ILE A 41 9.171 16.947 1.054 1.00 0.00 H new ATOM 0 HB ILE A 41 8.357 16.821 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.475 19.233 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.754 18.987 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.729 17.360 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.540 15.841 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.020 17.331 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.655 20.466 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.059 18.953 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.806 19.204 4.976 1.00 0.00 H new ATOM 565 N GLY A 42 9.673 14.544 2.048 1.00 0.00 N ATOM 566 CA GLY A 42 9.788 13.102 2.166 1.00 0.00 C ATOM 567 C GLY A 42 9.134 12.569 3.426 1.00 0.00 C ATOM 568 O GLY A 42 8.698 13.340 4.281 1.00 0.00 O ATOM 0 H GLY A 42 10.561 15.046 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.330 12.632 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.842 12.823 2.161 1.00 0.00 H new ATOM 572 N GLY A 43 9.063 11.247 3.540 1.00 0.00 N ATOM 573 CA GLY A 43 8.453 10.635 4.706 1.00 0.00 C ATOM 574 C GLY A 43 7.363 9.647 4.340 1.00 0.00 C ATOM 575 O GLY A 43 6.323 9.586 4.997 1.00 0.00 O ATOM 0 H GLY A 43 9.417 10.589 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.221 10.125 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.034 11.413 5.344 1.00 0.00 H new ATOM 579 N LEU A 44 7.599 8.872 3.287 1.00 0.00 N ATOM 580 CA LEU A 44 6.628 7.882 2.833 1.00 0.00 C ATOM 581 C LEU A 44 6.757 6.588 3.629 1.00 0.00 C ATOM 582 O LEU A 44 7.732 5.852 3.484 1.00 0.00 O ATOM 583 CB LEU A 44 6.819 7.599 1.342 1.00 0.00 C ATOM 584 CG LEU A 44 5.778 6.685 0.693 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.392 7.303 0.790 1.00 0.00 C ATOM 586 CD2 LEU A 44 6.141 6.410 -0.758 1.00 0.00 C ATOM 0 H LEU A 44 8.454 8.910 2.732 1.00 0.00 H new ATOM 0 HA LEU A 44 5.629 8.288 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.821 8.550 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.803 7.153 1.201 1.00 0.00 H new ATOM 0 HG LEU A 44 5.769 5.737 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.664 6.639 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.131 7.448 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.386 8.265 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.390 5.758 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.178 7.350 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.116 5.924 -0.803 1.00 0.00 H new ATOM 598 N GLY A 45 5.763 6.315 4.470 1.00 0.00 N ATOM 599 CA GLY A 45 5.783 5.108 5.275 1.00 0.00 C ATOM 600 C GLY A 45 4.637 4.172 4.946 1.00 0.00 C ATOM 601 O GLY A 45 3.526 4.342 5.449 1.00 0.00 O ATOM 0 H GLY A 45 4.945 6.908 4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.728 4.588 5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.736 5.378 6.330 1.00 0.00 H new ATOM 605 N ILE A 46 4.905 3.184 4.100 1.00 0.00 N ATOM 606 CA ILE A 46 3.887 2.220 3.704 1.00 0.00 C ATOM 607 C ILE A 46 4.054 0.904 4.457 1.00 0.00 C ATOM 608 O ILE A 46 5.016 0.168 4.238 1.00 0.00 O ATOM 609 CB ILE A 46 3.932 1.941 2.190 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.802 3.247 1.405 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.830 0.968 1.797 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.459 3.202 0.043 1.00 0.00 C ATOM 0 H ILE A 46 5.819 3.030 3.675 1.00 0.00 H new ATOM 0 HA ILE A 46 2.922 2.660 3.955 1.00 0.00 H new ATOM 0 HB ILE A 46 4.893 1.487 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.745 3.484 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.244 4.056 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.875 0.781 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.964 0.029 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.860 1.395 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.327 4.162 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.523 2.997 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.001 2.415 -0.556 1.00 0.00 H new ATOM 624 N THR A 47 3.109 0.613 5.346 1.00 0.00 N ATOM 625 CA THR A 47 3.150 -0.614 6.131 1.00 0.00 C ATOM 626 C THR A 47 1.866 -1.418 5.964 1.00 0.00 C ATOM 627 O THR A 47 0.881 -0.926 5.412 1.00 0.00 O ATOM 628 CB THR A 47 3.364 -0.316 7.628 1.00 0.00 C ATOM 629 OG1 THR A 47 2.487 0.734 8.049 1.00 0.00 O ATOM 630 CG2 THR A 47 4.807 0.082 7.899 1.00 0.00 C ATOM 0 H THR A 47 2.306 1.211 5.540 1.00 0.00 H new ATOM 0 HA THR A 47 3.992 -1.198 5.759 1.00 0.00 H new ATOM 0 HB THR A 47 3.141 -1.222 8.192 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.628 0.916 9.002 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.934 0.288 8.962 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.470 -0.731 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.052 0.976 7.325 1.00 0.00 H new ATOM 638 N VAL A 48 1.882 -2.657 6.444 1.00 0.00 N ATOM 639 CA VAL A 48 0.717 -3.529 6.349 1.00 0.00 C ATOM 640 C VAL A 48 0.413 -4.188 7.689 1.00 0.00 C ATOM 641 O VAL A 48 1.314 -4.676 8.370 1.00 0.00 O ATOM 642 CB VAL A 48 0.921 -4.625 5.285 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.109 -5.731 5.453 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.854 -4.029 3.887 1.00 0.00 C ATOM 0 H VAL A 48 2.689 -3.080 6.903 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.125 -2.901 6.057 1.00 0.00 H new ATOM 0 HB VAL A 48 1.911 -5.061 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.051 -6.496 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.007 -6.176 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.111 -5.315 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.000 -4.817 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.121 -3.566 3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.635 -3.277 3.774 1.00 0.00 H new ATOM 654 N GLU A 49 -0.864 -4.198 8.061 1.00 0.00 N ATOM 655 CA GLU A 49 -1.286 -4.798 9.322 1.00 0.00 C ATOM 656 C GLU A 49 -2.387 -5.830 9.091 1.00 0.00 C ATOM 657 O GLU A 49 -3.285 -5.624 8.277 1.00 0.00 O ATOM 658 CB GLU A 49 -1.779 -3.717 10.286 1.00 0.00 C ATOM 659 CG GLU A 49 -0.674 -3.105 11.130 1.00 0.00 C ATOM 660 CD GLU A 49 -1.178 -2.583 12.462 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.163 -1.815 12.465 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.588 -2.945 13.502 1.00 0.00 O ATOM 0 H GLU A 49 -1.623 -3.798 7.508 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.426 -5.302 9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.268 -2.928 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.533 -4.147 10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.100 -3.852 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.209 -2.289 10.577 1.00 0.00 H new ATOM 669 N GLY A 50 -2.308 -6.942 9.816 1.00 0.00 N ATOM 670 CA GLY A 50 -3.302 -7.990 9.676 1.00 0.00 C ATOM 671 C GLY A 50 -3.077 -9.135 10.644 1.00 0.00 C ATOM 672 O GLY A 50 -2.359 -9.006 11.635 1.00 0.00 O ATOM 0 H GLY A 50 -1.574 -7.135 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.294 -7.570 9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.282 -8.372 8.655 1.00 0.00 H new ATOM 676 N PRO A 51 -3.703 -10.287 10.359 1.00 0.00 N ATOM 677 CA PRO A 51 -3.584 -11.481 11.201 1.00 0.00 C ATOM 678 C PRO A 51 -2.195 -12.105 11.128 1.00 0.00 C ATOM 679 O PRO A 51 -1.912 -13.093 11.806 1.00 0.00 O ATOM 680 CB PRO A 51 -4.629 -12.433 10.615 1.00 0.00 C ATOM 681 CG PRO A 51 -4.784 -12.001 9.198 1.00 0.00 C ATOM 682 CD PRO A 51 -4.576 -10.511 9.194 1.00 0.00 C ATOM 0 HA PRO A 51 -3.738 -11.253 12.256 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.299 -13.470 10.679 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.573 -12.365 11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.056 -12.498 8.557 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.773 -12.258 8.818 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.108 -10.173 8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.519 -9.973 9.289 1.00 0.00 H new ATOM 690 N SER A 52 -1.331 -11.521 10.303 1.00 0.00 N ATOM 691 CA SER A 52 0.028 -12.023 10.140 1.00 0.00 C ATOM 692 C SER A 52 0.938 -10.946 9.558 1.00 0.00 C ATOM 693 O SER A 52 0.482 -10.053 8.844 1.00 0.00 O ATOM 694 CB SER A 52 0.034 -13.256 9.234 1.00 0.00 C ATOM 695 OG SER A 52 -0.350 -12.920 7.912 1.00 0.00 O ATOM 0 H SER A 52 -1.548 -10.700 9.738 1.00 0.00 H new ATOM 0 HA SER A 52 0.406 -12.302 11.123 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.030 -13.700 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.646 -14.008 9.634 1.00 0.00 H new ATOM 0 HG SER A 52 -1.186 -12.410 7.934 1.00 0.00 H new ATOM 701 N GLU A 53 2.227 -11.038 9.868 1.00 0.00 N ATOM 702 CA GLU A 53 3.202 -10.070 9.377 1.00 0.00 C ATOM 703 C GLU A 53 3.492 -10.295 7.896 1.00 0.00 C ATOM 704 O GLU A 53 3.838 -11.402 7.481 1.00 0.00 O ATOM 705 CB GLU A 53 4.499 -10.166 10.182 1.00 0.00 C ATOM 706 CG GLU A 53 4.452 -9.416 11.503 1.00 0.00 C ATOM 707 CD GLU A 53 5.362 -10.024 12.552 1.00 0.00 C ATOM 708 OE1 GLU A 53 5.474 -11.268 12.590 1.00 0.00 O ATOM 709 OE2 GLU A 53 5.961 -9.258 13.335 1.00 0.00 O ATOM 0 H GLU A 53 2.621 -11.772 10.456 1.00 0.00 H new ATOM 0 HA GLU A 53 2.780 -9.073 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.719 -11.216 10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.320 -9.775 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.738 -8.377 11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.428 -9.409 11.876 1.00 0.00 H new ATOM 716 N SER A 54 3.348 -9.238 7.103 1.00 0.00 N ATOM 717 CA SER A 54 3.591 -9.320 5.667 1.00 0.00 C ATOM 718 C SER A 54 4.973 -8.778 5.318 1.00 0.00 C ATOM 719 O SER A 54 5.434 -7.796 5.901 1.00 0.00 O ATOM 720 CB SER A 54 2.517 -8.543 4.902 1.00 0.00 C ATOM 721 OG SER A 54 1.217 -8.945 5.299 1.00 0.00 O ATOM 0 H SER A 54 3.064 -8.315 7.430 1.00 0.00 H new ATOM 0 HA SER A 54 3.548 -10.369 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.641 -7.475 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.640 -8.705 3.831 1.00 0.00 H new ATOM 0 HG SER A 54 0.815 -8.247 5.858 1.00 0.00 H new ATOM 727 N LYS A 55 5.631 -9.425 4.362 1.00 0.00 N ATOM 728 CA LYS A 55 6.961 -9.009 3.932 1.00 0.00 C ATOM 729 C LYS A 55 6.879 -7.805 2.999 1.00 0.00 C ATOM 730 O LYS A 55 6.666 -7.955 1.795 1.00 0.00 O ATOM 731 CB LYS A 55 7.676 -10.165 3.229 1.00 0.00 C ATOM 732 CG LYS A 55 8.475 -11.049 4.171 1.00 0.00 C ATOM 733 CD LYS A 55 9.016 -12.277 3.459 1.00 0.00 C ATOM 734 CE LYS A 55 10.249 -11.944 2.632 1.00 0.00 C ATOM 735 NZ LYS A 55 10.690 -13.100 1.803 1.00 0.00 N ATOM 0 H LYS A 55 5.265 -10.240 3.870 1.00 0.00 H new ATOM 0 HA LYS A 55 7.529 -8.722 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.938 -10.776 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.345 -9.760 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.302 -10.478 4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.844 -11.359 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.265 -13.044 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.244 -12.693 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.033 -11.094 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.060 -11.642 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.532 -12.833 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.920 -13.903 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.926 -13.372 1.153 1.00 0.00 H new ATOM 749 N ILE A 56 7.052 -6.614 3.561 1.00 0.00 N ATOM 750 CA ILE A 56 7.000 -5.386 2.779 1.00 0.00 C ATOM 751 C ILE A 56 8.383 -5.004 2.262 1.00 0.00 C ATOM 752 O ILE A 56 9.392 -5.245 2.924 1.00 0.00 O ATOM 753 CB ILE A 56 6.431 -4.216 3.604 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.923 -4.385 3.796 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.739 -2.890 2.924 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.346 -3.484 4.866 1.00 0.00 C ATOM 0 H ILE A 56 7.229 -6.474 4.556 1.00 0.00 H new ATOM 0 HA ILE A 56 6.339 -5.578 1.934 1.00 0.00 H new ATOM 0 HB ILE A 56 6.905 -4.218 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.419 -4.182 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.712 -5.423 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.331 -2.073 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.819 -2.769 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.289 -2.877 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.273 -3.657 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.823 -3.702 5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.526 -2.442 4.600 1.00 0.00 H new ATOM 768 N ASN A 57 8.422 -4.405 1.076 1.00 0.00 N ATOM 769 CA ASN A 57 9.681 -3.988 0.471 1.00 0.00 C ATOM 770 C ASN A 57 9.476 -2.776 -0.432 1.00 0.00 C ATOM 771 O ASN A 57 8.845 -2.874 -1.486 1.00 0.00 O ATOM 772 CB ASN A 57 10.291 -5.139 -0.332 1.00 0.00 C ATOM 773 CG ASN A 57 10.952 -6.176 0.555 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.884 -5.869 1.299 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.473 -7.412 0.480 1.00 0.00 N ATOM 0 H ASN A 57 7.596 -4.198 0.515 1.00 0.00 H new ATOM 0 HA ASN A 57 10.366 -3.710 1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.512 -5.617 -0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.026 -4.741 -1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.879 -8.152 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.699 -7.622 -0.151 1.00 0.00 H new ATOM 782 N CYS A 58 10.013 -1.636 -0.014 1.00 0.00 N ATOM 783 CA CYS A 58 9.889 -0.404 -0.785 1.00 0.00 C ATOM 784 C CYS A 58 10.806 -0.430 -2.003 1.00 0.00 C ATOM 785 O CYS A 58 11.896 -1.002 -1.960 1.00 0.00 O ATOM 786 CB CYS A 58 10.218 0.806 0.091 1.00 0.00 C ATOM 787 SG CYS A 58 11.918 0.829 0.708 1.00 0.00 S ATOM 0 H CYS A 58 10.539 -1.539 0.855 1.00 0.00 H new ATOM 0 HA CYS A 58 8.858 -0.323 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.038 1.716 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.534 0.824 0.940 1.00 0.00 H new ATOM 0 HG CYS A 58 12.672 0.112 -0.071 1.00 0.00 H new ATOM 793 N ARG A 59 10.358 0.192 -3.088 1.00 0.00 N ATOM 794 CA ARG A 59 11.137 0.237 -4.320 1.00 0.00 C ATOM 795 C ARG A 59 11.216 1.661 -4.861 1.00 0.00 C ATOM 796 O ARG A 59 10.309 2.467 -4.651 1.00 0.00 O ATOM 797 CB ARG A 59 10.522 -0.687 -5.372 1.00 0.00 C ATOM 798 CG ARG A 59 11.451 -0.987 -6.537 1.00 0.00 C ATOM 799 CD ARG A 59 12.492 -2.031 -6.165 1.00 0.00 C ATOM 800 NE ARG A 59 11.958 -3.388 -6.241 1.00 0.00 N ATOM 801 CZ ARG A 59 12.680 -4.476 -5.998 1.00 0.00 C ATOM 802 NH1 ARG A 59 13.959 -4.367 -5.664 1.00 0.00 N ATOM 803 NH2 ARG A 59 12.123 -5.677 -6.087 1.00 0.00 N ATOM 0 H ARG A 59 9.459 0.672 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 59 12.147 -0.104 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.235 -1.625 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.609 -0.231 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.868 -1.340 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.950 -0.070 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.350 -1.941 -6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.852 -1.839 -5.154 1.00 0.00 H new ATOM 0 HE ARG A 59 10.977 -3.507 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.391 -3.446 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.511 -5.205 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.139 -5.765 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.678 -6.512 -5.900 1.00 0.00 H new ATOM 817 N ASP A 60 12.306 1.964 -5.558 1.00 0.00 N ATOM 818 CA ASP A 60 12.503 3.291 -6.130 1.00 0.00 C ATOM 819 C ASP A 60 12.354 3.256 -7.648 1.00 0.00 C ATOM 820 O ASP A 60 12.963 2.426 -8.322 1.00 0.00 O ATOM 821 CB ASP A 60 13.883 3.833 -5.753 1.00 0.00 C ATOM 822 CG ASP A 60 13.957 4.270 -4.303 1.00 0.00 C ATOM 823 OD1 ASP A 60 13.500 5.391 -3.998 1.00 0.00 O ATOM 824 OD2 ASP A 60 14.472 3.491 -3.474 1.00 0.00 O ATOM 0 H ASP A 60 13.066 1.309 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 60 11.738 3.952 -5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.634 3.065 -5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.127 4.678 -6.397 1.00 0.00 H new ATOM 829 N ASN A 61 11.539 4.163 -8.179 1.00 0.00 N ATOM 830 CA ASN A 61 11.309 4.234 -9.617 1.00 0.00 C ATOM 831 C ASN A 61 11.924 5.501 -10.204 1.00 0.00 C ATOM 832 O ASN A 61 11.636 6.610 -9.754 1.00 0.00 O ATOM 833 CB ASN A 61 9.809 4.196 -9.917 1.00 0.00 C ATOM 834 CG ASN A 61 9.162 2.900 -9.465 1.00 0.00 C ATOM 835 OD1 ASN A 61 9.400 1.840 -10.045 1.00 0.00 O ATOM 836 ND2 ASN A 61 8.339 2.981 -8.427 1.00 0.00 N ATOM 0 H ASN A 61 11.028 4.858 -7.635 1.00 0.00 H new ATOM 0 HA ASN A 61 11.787 3.371 -10.080 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.321 5.035 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.652 4.323 -10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.874 2.143 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.172 3.881 -7.978 1.00 0.00 H new ATOM 843 N LYS A 62 12.772 5.328 -11.212 1.00 0.00 N ATOM 844 CA LYS A 62 13.427 6.456 -11.863 1.00 0.00 C ATOM 845 C LYS A 62 12.537 7.048 -12.951 1.00 0.00 C ATOM 846 O LYS A 62 13.023 7.484 -13.995 1.00 0.00 O ATOM 847 CB LYS A 62 14.764 6.017 -12.466 1.00 0.00 C ATOM 848 CG LYS A 62 15.746 7.159 -12.663 1.00 0.00 C ATOM 849 CD LYS A 62 16.500 7.474 -11.382 1.00 0.00 C ATOM 850 CE LYS A 62 17.632 8.460 -11.630 1.00 0.00 C ATOM 851 NZ LYS A 62 18.029 9.173 -10.384 1.00 0.00 N ATOM 0 H LYS A 62 13.022 4.417 -11.596 1.00 0.00 H new ATOM 0 HA LYS A 62 13.609 7.223 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.217 5.267 -11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.580 5.537 -13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.455 6.899 -13.449 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.210 8.047 -12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.811 7.887 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.904 6.553 -10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.494 7.929 -12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.323 9.187 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.803 9.835 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.214 9.700 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.348 8.482 -9.675 1.00 0.00 H new ATOM 865 N ASP A 63 11.233 7.061 -12.700 1.00 0.00 N ATOM 866 CA ASP A 63 10.275 7.602 -13.657 1.00 0.00 C ATOM 867 C ASP A 63 9.529 8.794 -13.065 1.00 0.00 C ATOM 868 O ASP A 63 9.444 9.855 -13.681 1.00 0.00 O ATOM 869 CB ASP A 63 9.280 6.521 -14.082 1.00 0.00 C ATOM 870 CG ASP A 63 8.162 7.071 -14.946 1.00 0.00 C ATOM 871 OD1 ASP A 63 8.346 7.143 -16.180 1.00 0.00 O ATOM 872 OD2 ASP A 63 7.103 7.428 -14.390 1.00 0.00 O ATOM 0 H ASP A 63 10.815 6.703 -11.841 1.00 0.00 H new ATOM 0 HA ASP A 63 10.827 7.941 -14.534 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.808 5.740 -14.630 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.853 6.055 -13.194 1.00 0.00 H new ATOM 877 N GLY A 64 8.987 8.609 -11.865 1.00 0.00 N ATOM 878 CA GLY A 64 8.254 9.676 -11.210 1.00 0.00 C ATOM 879 C GLY A 64 7.187 9.154 -10.268 1.00 0.00 C ATOM 880 O GLY A 64 6.057 9.642 -10.268 1.00 0.00 O ATOM 0 H GLY A 64 9.043 7.739 -11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.951 10.302 -10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.789 10.310 -11.965 1.00 0.00 H new ATOM 884 N SER A 65 7.546 8.158 -9.465 1.00 0.00 N ATOM 885 CA SER A 65 6.609 7.565 -8.517 1.00 0.00 C ATOM 886 C SER A 65 7.318 6.570 -7.603 1.00 0.00 C ATOM 887 O SER A 65 8.523 6.348 -7.725 1.00 0.00 O ATOM 888 CB SER A 65 5.470 6.867 -9.263 1.00 0.00 C ATOM 889 OG SER A 65 5.971 5.901 -10.172 1.00 0.00 O ATOM 0 H SER A 65 8.478 7.744 -9.451 1.00 0.00 H new ATOM 0 HA SER A 65 6.196 8.365 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.803 6.386 -8.547 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.878 7.606 -9.803 1.00 0.00 H new ATOM 0 HG SER A 65 5.223 5.468 -10.635 1.00 0.00 H new ATOM 895 N CYS A 66 6.562 5.976 -6.687 1.00 0.00 N ATOM 896 CA CYS A 66 7.116 5.006 -5.750 1.00 0.00 C ATOM 897 C CYS A 66 6.347 3.690 -5.811 1.00 0.00 C ATOM 898 O CYS A 66 5.148 3.673 -6.088 1.00 0.00 O ATOM 899 CB CYS A 66 7.083 5.564 -4.326 1.00 0.00 C ATOM 900 SG CYS A 66 8.335 4.859 -3.228 1.00 0.00 S ATOM 0 H CYS A 66 5.563 6.149 -6.573 1.00 0.00 H new ATOM 0 HA CYS A 66 8.151 4.815 -6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.219 6.645 -4.367 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.097 5.383 -3.899 1.00 0.00 H new ATOM 0 HG CYS A 66 9.008 3.948 -3.866 1.00 0.00 H new ATOM 906 N SER A 67 7.046 2.589 -5.552 1.00 0.00 N ATOM 907 CA SER A 67 6.430 1.268 -5.583 1.00 0.00 C ATOM 908 C SER A 67 6.629 0.545 -4.255 1.00 0.00 C ATOM 909 O SER A 67 7.719 0.561 -3.683 1.00 0.00 O ATOM 910 CB SER A 67 7.019 0.434 -6.724 1.00 0.00 C ATOM 911 OG SER A 67 6.315 0.656 -7.933 1.00 0.00 O ATOM 0 H SER A 67 8.039 2.586 -5.318 1.00 0.00 H new ATOM 0 HA SER A 67 5.361 1.396 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.070 0.688 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.978 -0.624 -6.464 1.00 0.00 H new ATOM 0 HG SER A 67 6.711 0.114 -8.647 1.00 0.00 H new ATOM 917 N ALA A 68 5.567 -0.090 -3.769 1.00 0.00 N ATOM 918 CA ALA A 68 5.624 -0.821 -2.509 1.00 0.00 C ATOM 919 C ALA A 68 5.056 -2.228 -2.665 1.00 0.00 C ATOM 920 O ALA A 68 3.877 -2.400 -2.969 1.00 0.00 O ATOM 921 CB ALA A 68 4.871 -0.063 -1.425 1.00 0.00 C ATOM 0 H ALA A 68 4.657 -0.113 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 68 6.670 -0.910 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.922 -0.620 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.323 0.919 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.829 0.055 -1.721 1.00 0.00 H new ATOM 927 N GLU A 69 5.905 -3.229 -2.456 1.00 0.00 N ATOM 928 CA GLU A 69 5.487 -4.621 -2.575 1.00 0.00 C ATOM 929 C GLU A 69 5.342 -5.266 -1.199 1.00 0.00 C ATOM 930 O GLU A 69 6.103 -4.966 -0.278 1.00 0.00 O ATOM 931 CB GLU A 69 6.493 -5.409 -3.416 1.00 0.00 C ATOM 932 CG GLU A 69 7.813 -5.663 -2.707 1.00 0.00 C ATOM 933 CD GLU A 69 8.512 -6.913 -3.205 1.00 0.00 C ATOM 934 OE1 GLU A 69 7.811 -7.880 -3.569 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.760 -6.924 -3.229 1.00 0.00 O ATOM 0 H GLU A 69 6.885 -3.102 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 69 4.516 -4.640 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.050 -6.365 -3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.686 -4.865 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.469 -4.804 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.634 -5.754 -1.636 1.00 0.00 H new ATOM 942 N TYR A 70 4.361 -6.152 -1.067 1.00 0.00 N ATOM 943 CA TYR A 70 4.114 -6.836 0.196 1.00 0.00 C ATOM 944 C TYR A 70 3.588 -8.248 -0.044 1.00 0.00 C ATOM 945 O TYR A 70 2.963 -8.524 -1.068 1.00 0.00 O ATOM 946 CB TYR A 70 3.117 -6.045 1.043 1.00 0.00 C ATOM 947 CG TYR A 70 1.687 -6.165 0.565 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.913 -7.270 0.897 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.110 -5.173 -0.218 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.393 -7.385 0.461 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.196 -5.278 -0.657 1.00 0.00 C ATOM 952 CZ TYR A 70 -0.943 -6.386 -0.315 1.00 0.00 C ATOM 953 OH TYR A 70 -2.244 -6.495 -0.750 1.00 0.00 O ATOM 0 H TYR A 70 3.724 -6.413 -1.820 1.00 0.00 H new ATOM 0 HA TYR A 70 5.060 -6.906 0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.176 -6.390 2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.405 -4.994 1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.340 -8.053 1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.692 -4.305 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.980 -8.252 0.726 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.629 -4.497 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.503 -5.673 -1.217 1.00 0.00 H new ATOM 963 N ILE A 71 3.846 -9.138 0.909 1.00 0.00 N ATOM 964 CA ILE A 71 3.397 -10.521 0.804 1.00 0.00 C ATOM 965 C ILE A 71 2.943 -11.056 2.157 1.00 0.00 C ATOM 966 O ILE A 71 3.745 -11.284 3.063 1.00 0.00 O ATOM 967 CB ILE A 71 4.508 -11.433 0.250 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.900 -10.994 -1.163 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.052 -12.884 0.252 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.258 -11.500 -1.597 1.00 0.00 C ATOM 0 H ILE A 71 4.363 -8.926 1.762 1.00 0.00 H new ATOM 0 HA ILE A 71 2.554 -10.527 0.113 1.00 0.00 H new ATOM 0 HB ILE A 71 5.384 -11.347 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.147 -11.348 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.894 -9.905 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.848 -13.516 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.817 -13.190 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.164 -12.987 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.470 -11.151 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.021 -11.124 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.262 -12.590 -1.581 1.00 0.00 H new ATOM 982 N PRO A 72 1.626 -11.265 2.300 1.00 0.00 N ATOM 983 CA PRO A 72 1.035 -11.779 3.539 1.00 0.00 C ATOM 984 C PRO A 72 1.393 -13.240 3.790 1.00 0.00 C ATOM 985 O PRO A 72 1.939 -13.914 2.916 1.00 0.00 O ATOM 986 CB PRO A 72 -0.470 -11.630 3.303 1.00 0.00 C ATOM 987 CG PRO A 72 -0.626 -11.661 1.822 1.00 0.00 C ATOM 988 CD PRO A 72 0.612 -11.016 1.262 1.00 0.00 C ATOM 0 HA PRO A 72 1.398 -11.243 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.027 -12.438 3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.846 -10.696 3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.730 -12.685 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.521 -11.122 1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.898 -11.457 0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.467 -9.950 1.090 1.00 0.00 H new ATOM 996 N PHE A 73 1.082 -13.723 4.988 1.00 0.00 N ATOM 997 CA PHE A 73 1.372 -15.105 5.353 1.00 0.00 C ATOM 998 C PHE A 73 0.093 -15.846 5.733 1.00 0.00 C ATOM 999 O PHE A 73 0.076 -17.074 5.812 1.00 0.00 O ATOM 1000 CB PHE A 73 2.365 -15.150 6.516 1.00 0.00 C ATOM 1001 CG PHE A 73 3.756 -14.731 6.133 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.013 -13.435 5.716 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.806 -15.633 6.189 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.291 -13.045 5.363 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.086 -15.249 5.838 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.329 -13.954 5.423 1.00 0.00 C ATOM 0 H PHE A 73 0.629 -13.179 5.722 1.00 0.00 H new ATOM 0 HA PHE A 73 1.814 -15.598 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.006 -14.502 7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.397 -16.163 6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.205 -12.721 5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.622 -16.647 6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.478 -12.031 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.896 -15.961 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.329 -13.653 5.146 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.974 -15.091 5.968 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.257 -15.675 6.338 1.00 0.00 C ATOM 1018 C ALA A 74 -3.414 -14.889 5.730 1.00 0.00 C ATOM 1019 O ALA A 74 -3.366 -13.665 5.604 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.394 -15.733 7.852 1.00 0.00 C ATOM 0 H ALA A 74 -0.976 -14.073 5.909 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.294 -16.690 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.357 -16.171 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.592 -16.344 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.331 -14.725 8.262 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.480 -15.606 5.343 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.669 -14.996 4.742 1.00 0.00 C ATOM 1028 C PRO A 75 -6.467 -14.170 5.745 1.00 0.00 C ATOM 1029 O PRO A 75 -6.596 -14.545 6.910 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.487 -16.202 4.272 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.055 -17.320 5.156 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.605 -17.069 5.464 1.00 0.00 C ATOM 0 HA PRO A 75 -5.411 -14.301 3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.557 -16.015 4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.292 -16.428 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.649 -17.347 6.070 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.188 -18.282 4.661 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.341 -17.414 6.464 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.950 -17.588 4.764 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.001 -13.043 5.285 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.780 -12.181 6.155 1.00 0.00 C ATOM 1042 C GLY A 76 -7.787 -10.739 5.688 1.00 0.00 C ATOM 1043 O GLY A 76 -7.217 -10.414 4.646 1.00 0.00 O ATOM 0 H GLY A 76 -6.908 -12.711 4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.805 -12.549 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.376 -12.230 7.166 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.434 -9.873 6.459 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.514 -8.457 6.118 1.00 0.00 C ATOM 1049 C ASP A 77 -7.288 -7.706 6.626 1.00 0.00 C ATOM 1050 O ASP A 77 -6.951 -7.773 7.809 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.785 -7.840 6.706 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.870 -8.011 8.209 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -10.237 -9.116 8.661 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -9.568 -7.041 8.935 1.00 0.00 O ATOM 0 H ASP A 77 -8.911 -10.126 7.324 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.546 -8.371 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.816 -6.778 6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.657 -8.300 6.241 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.623 -6.991 5.725 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.431 -6.230 6.080 1.00 0.00 C ATOM 1061 C TYR A 78 -5.669 -4.733 5.906 1.00 0.00 C ATOM 1062 O TYR A 78 -6.551 -4.317 5.156 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.244 -6.672 5.224 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.695 -8.029 5.603 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.429 -9.186 5.373 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.443 -8.155 6.193 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.933 -10.428 5.719 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.938 -9.393 6.541 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.687 -10.526 6.302 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.188 -11.761 6.648 1.00 0.00 O ATOM 0 H TYR A 78 -6.890 -6.923 4.743 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.206 -6.424 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.549 -6.692 4.178 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.449 -5.931 5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.405 -9.113 4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.854 -7.270 6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.518 -11.317 5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.962 -9.473 6.997 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.903 -12.429 6.597 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.875 -3.930 6.605 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.996 -2.479 6.528 1.00 0.00 C ATOM 1082 C ASP A 79 -3.680 -1.846 6.085 1.00 0.00 C ATOM 1083 O ASP A 79 -2.735 -1.741 6.868 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.420 -1.908 7.882 1.00 0.00 C ATOM 1085 CG ASP A 79 -6.915 -2.007 8.110 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.674 -1.353 7.364 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.327 -2.741 9.033 1.00 0.00 O ATOM 0 H ASP A 79 -4.141 -4.259 7.232 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.760 -2.242 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.898 -2.441 8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.114 -0.864 7.944 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.625 -1.428 4.825 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.425 -0.806 4.277 1.00 0.00 C ATOM 1094 C VAL A 80 -2.261 0.619 4.793 1.00 0.00 C ATOM 1095 O VAL A 80 -2.903 1.546 4.301 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.458 -0.782 2.738 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.211 -0.108 2.187 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.598 -2.193 2.187 1.00 0.00 C ATOM 0 H VAL A 80 -4.398 -1.509 4.164 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.578 -1.408 4.605 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.325 -0.203 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.253 -0.101 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.158 0.917 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.327 -0.656 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.620 -2.158 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.751 -2.797 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.523 -2.637 2.554 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.395 0.787 5.788 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.146 2.100 6.371 1.00 0.00 C ATOM 1110 C ASN A 81 -0.131 2.880 5.542 1.00 0.00 C ATOM 1111 O ASN A 81 1.003 2.437 5.354 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.644 1.955 7.809 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.683 1.340 8.726 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.272 2.025 9.562 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.913 0.041 8.572 1.00 0.00 N ATOM 0 H ASN A 81 -0.854 0.030 6.207 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.086 2.652 6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.254 1.337 7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.360 2.935 8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.602 -0.428 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.401 -0.487 7.866 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.545 4.042 5.049 1.00 0.00 N ATOM 1123 CA ILE A 82 0.329 4.884 4.241 1.00 0.00 C ATOM 1124 C ILE A 82 0.346 6.317 4.762 1.00 0.00 C ATOM 1125 O ILE A 82 -0.691 6.977 4.832 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.105 4.891 2.764 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.074 3.472 2.193 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.793 5.814 1.953 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.607 3.377 0.781 1.00 0.00 C ATOM 0 H ILE A 82 -1.480 4.422 5.195 1.00 0.00 H new ATOM 0 HA ILE A 82 1.331 4.462 4.314 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.127 5.264 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.952 3.104 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.659 2.817 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.474 5.809 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.725 6.828 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.825 5.468 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.555 2.343 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.643 3.714 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.008 4.006 0.123 1.00 0.00 H new ATOM 1141 N THR A 83 1.533 6.795 5.125 1.00 0.00 N ATOM 1142 CA THR A 83 1.686 8.150 5.638 1.00 0.00 C ATOM 1143 C THR A 83 2.796 8.894 4.904 1.00 0.00 C ATOM 1144 O THR A 83 3.863 8.337 4.643 1.00 0.00 O ATOM 1145 CB THR A 83 1.997 8.147 7.147 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.198 7.411 7.399 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.847 7.537 7.935 1.00 0.00 C ATOM 0 H THR A 83 2.402 6.263 5.073 1.00 0.00 H new ATOM 0 HA THR A 83 0.738 8.660 5.470 1.00 0.00 H new ATOM 0 HB THR A 83 2.131 9.180 7.470 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.389 7.416 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.089 7.546 8.998 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.059 8.118 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.686 6.510 7.608 1.00 0.00 H new ATOM 1155 N TYR A 84 2.539 10.154 4.573 1.00 0.00 N ATOM 1156 CA TYR A 84 3.516 10.974 3.867 1.00 0.00 C ATOM 1157 C TYR A 84 4.034 12.096 4.761 1.00 0.00 C ATOM 1158 O TYR A 84 3.269 12.946 5.217 1.00 0.00 O ATOM 1159 CB TYR A 84 2.897 11.563 2.598 1.00 0.00 C ATOM 1160 CG TYR A 84 3.912 12.168 1.654 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.938 11.399 1.120 1.00 0.00 C ATOM 1162 CD2 TYR A 84 3.845 13.509 1.298 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.868 11.948 0.258 1.00 0.00 C ATOM 1164 CE2 TYR A 84 4.769 14.066 0.435 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.779 13.282 -0.081 1.00 0.00 C ATOM 1166 OH TYR A 84 6.702 13.833 -0.940 1.00 0.00 O ATOM 0 H TYR A 84 1.662 10.630 4.782 1.00 0.00 H new ATOM 0 HA TYR A 84 4.356 10.336 3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.348 10.780 2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.173 12.328 2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.010 10.354 1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.057 14.127 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.660 11.336 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.701 15.110 0.166 1.00 0.00 H new ATOM 0 HH TYR A 84 6.497 14.782 -1.076 1.00 0.00 H new ATOM 1176 N GLY A 85 5.340 12.092 5.009 1.00 0.00 N ATOM 1177 CA GLY A 85 5.940 13.114 5.847 1.00 0.00 C ATOM 1178 C GLY A 85 5.620 12.920 7.316 1.00 0.00 C ATOM 1179 O GLY A 85 6.507 12.639 8.120 1.00 0.00 O ATOM 0 H GLY A 85 5.994 11.399 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.021 13.104 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.587 14.095 5.528 1.00 0.00 H new ATOM 1183 N GLY A 86 4.346 13.073 7.668 1.00 0.00 N ATOM 1184 CA GLY A 86 3.935 12.911 9.050 1.00 0.00 C ATOM 1185 C GLY A 86 2.427 12.885 9.207 1.00 0.00 C ATOM 1186 O GLY A 86 1.903 13.172 10.282 1.00 0.00 O ATOM 0 H GLY A 86 3.593 13.306 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.354 11.985 9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.345 13.726 9.646 1.00 0.00 H new ATOM 1190 N ALA A 87 1.728 12.541 8.130 1.00 0.00 N ATOM 1191 CA ALA A 87 0.272 12.479 8.153 1.00 0.00 C ATOM 1192 C ALA A 87 -0.239 11.281 7.358 1.00 0.00 C ATOM 1193 O ALA A 87 0.513 10.652 6.613 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.321 13.769 7.605 1.00 0.00 C ATOM 0 H ALA A 87 2.147 12.301 7.231 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.045 12.358 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.409 13.708 7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.009 14.609 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.012 13.915 6.577 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.521 10.971 7.524 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.132 9.848 6.822 1.00 0.00 C ATOM 1202 C HIS A 88 -2.821 10.316 5.544 1.00 0.00 C ATOM 1203 O HIS A 88 -3.618 11.255 5.565 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.139 9.139 7.728 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.513 8.140 8.652 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.403 6.799 8.348 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.961 8.292 9.878 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.812 6.170 9.348 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.533 7.054 10.289 1.00 0.00 N ATOM 0 H HIS A 88 -2.156 11.481 8.138 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.342 9.147 6.552 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.672 9.884 8.319 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.880 8.634 7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.873 9.216 10.431 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.594 5.113 9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.074 6.850 11.177 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.509 9.656 4.433 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.100 10.005 3.147 1.00 0.00 C ATOM 1220 C ILE A 89 -4.581 9.645 3.106 1.00 0.00 C ATOM 1221 O ILE A 89 -5.038 8.716 3.771 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.378 9.296 1.986 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.552 7.780 2.098 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.902 9.666 1.974 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.399 7.055 0.780 1.00 0.00 C ATOM 0 H ILE A 89 -1.851 8.877 4.398 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.988 11.083 3.030 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.822 9.625 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.820 7.390 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.538 7.565 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.406 9.157 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.798 10.744 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.443 9.363 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.535 5.985 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.148 7.418 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.403 7.239 0.377 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.350 10.397 2.305 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.791 10.175 2.155 1.00 0.00 C ATOM 1239 C PRO A 90 -7.104 8.883 1.407 1.00 0.00 C ATOM 1240 O PRO A 90 -7.116 8.854 0.177 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.255 11.388 1.345 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.046 11.826 0.593 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.872 11.522 1.482 1.00 0.00 C ATOM 0 HA PRO A 90 -7.290 10.073 3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.068 11.125 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.625 12.180 1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.964 11.297 -0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.095 12.890 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.989 11.250 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.599 12.381 2.095 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.359 7.816 2.159 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.669 6.536 1.549 1.00 0.00 C ATOM 1253 C GLY A 91 -7.129 5.367 2.349 1.00 0.00 C ATOM 1254 O GLY A 91 -7.499 4.218 2.109 1.00 0.00 O ATOM 0 H GLY A 91 -7.356 7.815 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.750 6.436 1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.253 6.506 0.542 1.00 0.00 H new ATOM 1258 N SER A 92 -6.250 5.660 3.302 1.00 0.00 N ATOM 1259 CA SER A 92 -5.655 4.623 4.137 1.00 0.00 C ATOM 1260 C SER A 92 -6.225 4.670 5.551 1.00 0.00 C ATOM 1261 O SER A 92 -6.659 5.713 6.039 1.00 0.00 O ATOM 1262 CB SER A 92 -4.134 4.786 4.182 1.00 0.00 C ATOM 1263 OG SER A 92 -3.609 4.333 5.418 1.00 0.00 O ATOM 0 H SER A 92 -5.934 6.606 3.515 1.00 0.00 H new ATOM 0 HA SER A 92 -5.897 3.655 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.681 4.226 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.873 5.834 4.035 1.00 0.00 H new ATOM 0 HG SER A 92 -3.290 5.100 5.939 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.225 3.511 6.227 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.711 2.262 5.656 1.00 0.00 C ATOM 1271 C PRO A 93 -6.602 1.725 4.542 1.00 0.00 C ATOM 1272 O PRO A 93 -7.825 1.859 4.591 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.709 1.302 6.849 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.753 1.837 7.767 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.726 3.331 7.600 1.00 0.00 C ATOM 0 HA PRO A 93 -4.731 2.396 5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.940 0.283 6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.733 1.274 7.333 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.735 1.434 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.546 1.556 8.800 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.717 3.768 7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.072 3.806 8.332 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.981 1.116 3.536 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.718 0.558 2.408 1.00 0.00 C ATOM 1285 C PHE A 94 -7.052 -0.911 2.649 1.00 0.00 C ATOM 1286 O PHE A 94 -6.163 -1.761 2.697 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.907 0.704 1.119 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.732 2.129 0.679 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.775 2.938 1.270 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.524 2.659 -0.327 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.613 4.250 0.867 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.366 3.970 -0.735 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.408 4.767 -0.138 1.00 0.00 C ATOM 0 H PHE A 94 -4.970 0.997 3.479 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.651 1.112 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.925 0.254 1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.400 0.145 0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.149 2.539 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.274 2.040 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.865 4.871 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.991 4.371 -1.520 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.281 5.791 -0.456 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.340 -1.202 2.802 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.792 -2.567 3.040 1.00 0.00 C ATOM 1305 C ARG A 95 -8.456 -3.466 1.853 1.00 0.00 C ATOM 1306 O ARG A 95 -8.805 -3.161 0.713 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.300 -2.590 3.300 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.870 -3.990 3.456 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.400 -4.642 4.747 1.00 0.00 C ATOM 1310 NE ARG A 95 -10.910 -3.949 5.927 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.121 -4.154 6.434 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.942 -5.027 5.867 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.512 -3.484 7.510 1.00 0.00 N ATOM 0 H ARG A 95 -9.089 -0.510 2.765 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.273 -2.947 3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.513 -2.017 4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.810 -2.089 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.959 -3.944 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.569 -4.603 2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.727 -5.682 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.310 -4.649 4.774 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.303 -3.270 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.645 -5.544 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.871 -5.182 6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.883 -2.811 7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.442 -3.642 7.899 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.776 -4.574 2.131 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.394 -5.517 1.087 1.00 0.00 C ATOM 1329 C VAL A 96 -7.718 -6.950 1.495 1.00 0.00 C ATOM 1330 O VAL A 96 -7.071 -7.535 2.364 1.00 0.00 O ATOM 1331 CB VAL A 96 -5.892 -5.415 0.761 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.518 -6.390 -0.345 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.527 -3.990 0.373 1.00 0.00 C ATOM 0 H VAL A 96 -7.479 -4.840 3.070 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.970 -5.256 0.199 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.325 -5.681 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.453 -6.304 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.742 -7.407 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.091 -6.159 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.462 -3.936 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.101 -3.694 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.756 -3.318 1.200 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.743 -7.530 0.854 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.176 -8.903 1.133 1.00 0.00 C ATOM 1345 C PRO A 97 -8.163 -9.938 0.656 1.00 0.00 C ATOM 1346 O PRO A 97 -8.059 -10.215 -0.539 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.482 -9.030 0.345 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.359 -8.033 -0.755 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.558 -6.892 -0.193 1.00 0.00 C ATOM 0 HA PRO A 97 -9.288 -9.086 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.611 -10.039 -0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.346 -8.820 0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.862 -8.468 -1.622 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.341 -7.695 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.937 -6.423 -0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.201 -6.113 0.217 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.417 -10.508 1.598 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.414 -11.514 1.273 1.00 0.00 C ATOM 1359 C VAL A 98 -7.010 -12.917 1.309 1.00 0.00 C ATOM 1360 O VAL A 98 -7.426 -13.400 2.363 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.221 -11.451 2.245 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.208 -12.538 1.919 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.571 -10.076 2.202 1.00 0.00 C ATOM 0 H VAL A 98 -7.489 -10.290 2.592 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.064 -11.297 0.264 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.590 -11.623 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.372 -12.478 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.683 -13.515 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.842 -12.401 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.730 -10.049 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.216 -9.873 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.301 -9.319 2.489 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.050 -13.567 0.151 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.594 -14.916 0.049 1.00 0.00 C ATOM 1375 C LYS A 99 -6.483 -15.958 0.134 1.00 0.00 C ATOM 1376 O LYS A 99 -5.301 -15.630 0.031 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.361 -15.080 -1.265 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.352 -13.961 -1.534 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.660 -13.833 -3.017 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.358 -15.075 -3.550 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.176 -14.777 -4.758 1.00 0.00 N ATOM 0 H LYS A 99 -6.712 -13.181 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.278 -15.070 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.648 -15.129 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.894 -16.030 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.274 -14.151 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.948 -13.019 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.290 -12.960 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.735 -13.669 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.614 -15.833 -3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.997 -15.494 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.635 -15.649 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.903 -14.072 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.562 -14.401 -5.509 1.00 0.00 H new ATOM 1395 N ASP A 100 -6.871 -17.215 0.323 1.00 0.00 N ATOM 1396 CA ASP A 100 -5.908 -18.306 0.420 1.00 0.00 C ATOM 1397 C ASP A 100 -5.820 -19.071 -0.897 1.00 0.00 C ATOM 1398 O ASP A 100 -6.834 -19.498 -1.448 1.00 0.00 O ATOM 1399 CB ASP A 100 -6.297 -19.258 1.552 1.00 0.00 C ATOM 1400 CG ASP A 100 -7.798 -19.430 1.675 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -8.444 -19.742 0.653 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -8.327 -19.251 2.792 1.00 0.00 O ATOM 0 H ASP A 100 -7.845 -17.503 0.412 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.930 -17.877 0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.836 -20.230 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.899 -18.879 2.494 1.00 0.00 H new ATOM 1407 N VAL A 101 -4.599 -19.239 -1.397 1.00 0.00 N ATOM 1408 CA VAL A 101 -4.378 -19.953 -2.649 1.00 0.00 C ATOM 1409 C VAL A 101 -5.083 -21.304 -2.644 1.00 0.00 C ATOM 1410 O VAL A 101 -5.914 -21.587 -3.507 1.00 0.00 O ATOM 1411 CB VAL A 101 -2.876 -20.171 -2.912 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -2.662 -20.836 -4.263 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -2.125 -18.851 -2.834 1.00 0.00 C ATOM 0 H VAL A 101 -3.749 -18.890 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.793 -19.334 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.482 -20.833 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.595 -20.982 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.167 -21.802 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.070 -20.201 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.065 -19.024 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.519 -18.163 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.251 -18.419 -1.841 1.00 0.00 H new ATOM 1423 N VAL A 102 -4.747 -22.137 -1.664 1.00 0.00 N ATOM 1424 CA VAL A 102 -5.350 -23.460 -1.544 1.00 0.00 C ATOM 1425 C VAL A 102 -5.605 -23.817 -0.084 1.00 0.00 C ATOM 1426 O VAL A 102 -4.687 -23.817 0.735 1.00 0.00 O ATOM 1427 CB VAL A 102 -4.457 -24.542 -2.178 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -4.617 -24.549 -3.691 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -3.002 -24.328 -1.788 1.00 0.00 C ATOM 0 H VAL A 102 -4.061 -21.919 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.300 -23.425 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.771 -25.515 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.978 -25.320 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.656 -24.755 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.331 -23.576 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.385 -25.102 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.672 -23.349 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.905 -24.380 -0.704 1.00 0.00 H new ATOM 1439 N ASP A 103 -6.858 -24.123 0.233 1.00 0.00 N ATOM 1440 CA ASP A 103 -7.235 -24.485 1.595 1.00 0.00 C ATOM 1441 C ASP A 103 -6.805 -25.913 1.916 1.00 0.00 C ATOM 1442 O ASP A 103 -7.099 -26.856 1.182 1.00 0.00 O ATOM 1443 CB ASP A 103 -8.746 -24.339 1.785 1.00 0.00 C ATOM 1444 CG ASP A 103 -9.537 -25.166 0.790 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -9.809 -24.660 -0.318 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -9.884 -26.319 1.121 1.00 0.00 O ATOM 0 H ASP A 103 -7.630 -24.128 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.724 -23.808 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.013 -24.641 2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.023 -23.290 1.682 1.00 0.00 H new ATOM 1451 N PRO A 104 -6.092 -26.077 3.040 1.00 0.00 N ATOM 1452 CA PRO A 104 -5.606 -27.387 3.485 1.00 0.00 C ATOM 1453 C PRO A 104 -6.736 -28.297 3.953 1.00 0.00 C ATOM 1454 O PRO A 104 -7.742 -27.828 4.487 1.00 0.00 O ATOM 1455 CB PRO A 104 -4.677 -27.043 4.652 1.00 0.00 C ATOM 1456 CG PRO A 104 -5.179 -25.737 5.163 1.00 0.00 C ATOM 1457 CD PRO A 104 -5.705 -24.998 3.964 1.00 0.00 C ATOM 0 HA PRO A 104 -5.116 -27.935 2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.712 -27.810 5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.640 -26.968 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.963 -25.884 5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.381 -25.175 5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.555 -24.366 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.946 -24.348 3.528 1.00 0.00 H new ATOM 1465 N SER A 105 -6.565 -29.599 3.750 1.00 0.00 N ATOM 1466 CA SER A 105 -7.573 -30.574 4.148 1.00 0.00 C ATOM 1467 C SER A 105 -7.178 -31.261 5.452 1.00 0.00 C ATOM 1468 O SER A 105 -5.997 -31.353 5.784 1.00 0.00 O ATOM 1469 CB SER A 105 -7.766 -31.618 3.047 1.00 0.00 C ATOM 1470 OG SER A 105 -8.777 -32.547 3.397 1.00 0.00 O ATOM 0 H SER A 105 -5.737 -30.003 3.312 1.00 0.00 H new ATOM 0 HA SER A 105 -8.513 -30.045 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.031 -31.122 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.828 -32.145 2.873 1.00 0.00 H new ATOM 0 HG SER A 105 -8.882 -33.203 2.676 1.00 0.00 H new TER 1476 SER A 105