USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 727 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 33 CYS SG : rot -31:sc= 0.742 USER MOD Set 1.2: A 83 CYS SG : rot 175:sc= 0.257 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -117:sc= 0.286 (180deg=0) USER MOD Set 2.2: A 37 GLN : amide:sc= 0.265 K(o=0.55,f=-0.65) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 25:sc= 0.322 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0477) USER MOD Single : A 15 GLN : amide:sc= -6.26! C(o=-6.3!,f=-7.8!) USER MOD Single : A 18 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-5.9!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -24:sc= 0.897 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.713 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00236 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -154:sc= 0.906 (180deg=0.369) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.121 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.44!) USER MOD Single : A 64 CYS SG : rot 180:sc= -1.4 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 75 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 81 TYR OH : rot -23:sc= 1.2 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.948 X(o=-0.95,f=-0.45) USER MOD Single : A 89 GLN : amide:sc= -1.84! C(o=-1.8!,f=-1.8!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 95 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.3) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.884 31.926 0.404 1.00 0.00 N ATOM 2 CA GLY A 1 8.091 33.102 0.096 1.00 0.00 C ATOM 3 C GLY A 1 7.372 33.651 1.313 1.00 0.00 C ATOM 4 O GLY A 1 7.896 34.515 2.015 1.00 0.00 O ATOM 0 H1 GLY A 1 9.355 31.589 -0.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.601 32.168 1.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.265 31.177 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.738 33.875 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.360 32.852 -0.673 1.00 0.00 H new ATOM 8 N SER A 2 6.166 33.149 1.561 1.00 0.00 N ATOM 9 CA SER A 2 5.371 33.598 2.698 1.00 0.00 C ATOM 10 C SER A 2 6.043 33.220 4.014 1.00 0.00 C ATOM 11 O SER A 2 6.390 34.085 4.818 1.00 0.00 O ATOM 12 CB SER A 2 3.967 32.993 2.636 1.00 0.00 C ATOM 13 OG SER A 2 3.061 33.724 3.444 1.00 0.00 O ATOM 0 H SER A 2 5.719 32.432 0.990 1.00 0.00 H new ATOM 0 HA SER A 2 5.293 34.684 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.616 32.987 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.000 31.955 2.968 1.00 0.00 H new ATOM 0 HG SER A 2 2.171 33.319 3.386 1.00 0.00 H new ATOM 19 N SER A 3 6.222 31.920 4.228 1.00 0.00 N ATOM 20 CA SER A 3 6.849 31.425 5.448 1.00 0.00 C ATOM 21 C SER A 3 8.170 30.729 5.136 1.00 0.00 C ATOM 22 O SER A 3 8.802 30.148 6.018 1.00 0.00 O ATOM 23 CB SER A 3 5.909 30.460 6.173 1.00 0.00 C ATOM 24 OG SER A 3 5.456 29.438 5.302 1.00 0.00 O ATOM 0 H SER A 3 5.942 31.191 3.572 1.00 0.00 H new ATOM 0 HA SER A 3 7.053 32.278 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.425 30.015 7.024 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.055 31.009 6.570 1.00 0.00 H new ATOM 0 HG SER A 3 4.858 28.834 5.790 1.00 0.00 H new ATOM 30 N GLY A 4 8.582 30.792 3.874 1.00 0.00 N ATOM 31 CA GLY A 4 9.825 30.164 3.467 1.00 0.00 C ATOM 32 C GLY A 4 9.680 28.669 3.265 1.00 0.00 C ATOM 33 O GLY A 4 9.821 28.170 2.148 1.00 0.00 O ATOM 0 H GLY A 4 8.077 31.267 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.173 30.621 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.588 30.353 4.222 1.00 0.00 H new ATOM 37 N SER A 5 9.401 27.951 4.348 1.00 0.00 N ATOM 38 CA SER A 5 9.242 26.503 4.286 1.00 0.00 C ATOM 39 C SER A 5 7.782 26.107 4.483 1.00 0.00 C ATOM 40 O SER A 5 7.155 26.481 5.474 1.00 0.00 O ATOM 41 CB SER A 5 10.114 25.828 5.346 1.00 0.00 C ATOM 42 OG SER A 5 9.673 26.154 6.652 1.00 0.00 O ATOM 0 H SER A 5 9.280 28.349 5.279 1.00 0.00 H new ATOM 0 HA SER A 5 9.559 26.169 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.087 24.747 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.151 26.140 5.221 1.00 0.00 H new ATOM 0 HG SER A 5 8.722 26.387 6.627 1.00 0.00 H new ATOM 48 N SER A 6 7.248 25.347 3.533 1.00 0.00 N ATOM 49 CA SER A 6 5.861 24.903 3.599 1.00 0.00 C ATOM 50 C SER A 6 5.626 23.713 2.674 1.00 0.00 C ATOM 51 O SER A 6 6.289 23.571 1.647 1.00 0.00 O ATOM 52 CB SER A 6 4.917 26.048 3.225 1.00 0.00 C ATOM 53 OG SER A 6 3.571 25.608 3.186 1.00 0.00 O ATOM 0 H SER A 6 7.755 25.026 2.708 1.00 0.00 H new ATOM 0 HA SER A 6 5.655 24.591 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.017 26.857 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.199 26.453 2.253 1.00 0.00 H new ATOM 0 HG SER A 6 2.988 26.359 2.946 1.00 0.00 H new ATOM 59 N GLY A 7 4.678 22.859 3.046 1.00 0.00 N ATOM 60 CA GLY A 7 4.372 21.692 2.240 1.00 0.00 C ATOM 61 C GLY A 7 5.324 20.542 2.500 1.00 0.00 C ATOM 62 O GLY A 7 5.933 20.007 1.573 1.00 0.00 O ATOM 0 H GLY A 7 4.116 22.955 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.352 21.369 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.413 21.962 1.185 1.00 0.00 H new ATOM 66 N LYS A 8 5.456 20.160 3.766 1.00 0.00 N ATOM 67 CA LYS A 8 6.342 19.066 4.147 1.00 0.00 C ATOM 68 C LYS A 8 6.193 17.887 3.190 1.00 0.00 C ATOM 69 O LYS A 8 5.089 17.566 2.752 1.00 0.00 O ATOM 70 CB LYS A 8 6.042 18.615 5.579 1.00 0.00 C ATOM 71 CG LYS A 8 6.978 17.531 6.083 1.00 0.00 C ATOM 72 CD LYS A 8 8.404 18.040 6.211 1.00 0.00 C ATOM 73 CE LYS A 8 9.225 17.170 7.150 1.00 0.00 C ATOM 74 NZ LYS A 8 9.498 15.827 6.566 1.00 0.00 N ATOM 0 H LYS A 8 4.960 20.592 4.546 1.00 0.00 H new ATOM 0 HA LYS A 8 7.369 19.427 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.106 19.477 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.016 18.250 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.631 17.171 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.954 16.682 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.874 18.060 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.393 19.066 6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.169 17.667 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.694 17.054 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.053 15.095 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.107 15.781 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.525 15.666 6.531 1.00 0.00 H new ATOM 88 N VAL A 9 7.313 17.245 2.872 1.00 0.00 N ATOM 89 CA VAL A 9 7.307 16.100 1.969 1.00 0.00 C ATOM 90 C VAL A 9 7.949 14.881 2.623 1.00 0.00 C ATOM 91 O VAL A 9 9.078 14.947 3.109 1.00 0.00 O ATOM 92 CB VAL A 9 8.049 16.416 0.657 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.258 15.148 -0.157 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.287 17.457 -0.149 1.00 0.00 C ATOM 0 H VAL A 9 8.235 17.498 3.226 1.00 0.00 H new ATOM 0 HA VAL A 9 6.264 15.880 1.743 1.00 0.00 H new ATOM 0 HB VAL A 9 9.028 16.826 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.784 15.391 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.849 14.438 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.291 14.705 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.826 17.668 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.294 17.077 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.195 18.373 0.435 1.00 0.00 H new ATOM 104 N VAL A 10 7.222 13.769 2.631 1.00 0.00 N ATOM 105 CA VAL A 10 7.720 12.534 3.224 1.00 0.00 C ATOM 106 C VAL A 10 8.309 11.613 2.161 1.00 0.00 C ATOM 107 O VAL A 10 9.342 10.979 2.376 1.00 0.00 O ATOM 108 CB VAL A 10 6.607 11.783 3.978 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.123 10.455 4.510 1.00 0.00 C ATOM 110 CG2 VAL A 10 6.057 12.642 5.107 1.00 0.00 C ATOM 0 H VAL A 10 6.285 13.698 2.233 1.00 0.00 H new ATOM 0 HA VAL A 10 8.500 12.815 3.931 1.00 0.00 H new ATOM 0 HB VAL A 10 5.795 11.576 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.322 9.939 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.464 9.838 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.953 10.635 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.271 12.096 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.859 12.882 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.646 13.564 4.696 1.00 0.00 H new ATOM 120 N PHE A 11 7.644 11.543 1.012 1.00 0.00 N ATOM 121 CA PHE A 11 8.101 10.699 -0.085 1.00 0.00 C ATOM 122 C PHE A 11 8.729 11.540 -1.193 1.00 0.00 C ATOM 123 O PHE A 11 8.536 12.754 -1.251 1.00 0.00 O ATOM 124 CB PHE A 11 6.936 9.883 -0.648 1.00 0.00 C ATOM 125 CG PHE A 11 6.189 9.105 0.398 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.809 8.078 1.091 1.00 0.00 C ATOM 127 CD2 PHE A 11 4.866 9.400 0.686 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.125 7.361 2.054 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.177 8.686 1.648 1.00 0.00 C ATOM 130 CZ PHE A 11 4.807 7.664 2.332 1.00 0.00 C ATOM 0 H PHE A 11 6.787 12.061 0.817 1.00 0.00 H new ATOM 0 HA PHE A 11 8.858 10.018 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.243 10.555 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.317 9.192 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.839 7.835 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.368 10.196 0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.621 6.564 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.147 8.927 1.865 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.270 7.103 3.083 1.00 0.00 H new ATOM 140 N ALA A 12 9.483 10.884 -2.070 1.00 0.00 N ATOM 141 CA ALA A 12 10.139 11.570 -3.176 1.00 0.00 C ATOM 142 C ALA A 12 9.153 12.448 -3.940 1.00 0.00 C ATOM 143 O ALA A 12 7.955 12.449 -3.653 1.00 0.00 O ATOM 144 CB ALA A 12 10.785 10.561 -4.114 1.00 0.00 C ATOM 0 H ALA A 12 9.654 9.879 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 12 10.915 12.214 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.271 11.087 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.526 9.978 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.021 9.894 -4.512 1.00 0.00 H new ATOM 150 N LYS A 13 9.664 13.196 -4.912 1.00 0.00 N ATOM 151 CA LYS A 13 8.829 14.079 -5.718 1.00 0.00 C ATOM 152 C LYS A 13 8.504 13.441 -7.065 1.00 0.00 C ATOM 153 O LYS A 13 7.568 13.856 -7.747 1.00 0.00 O ATOM 154 CB LYS A 13 9.531 15.422 -5.933 1.00 0.00 C ATOM 155 CG LYS A 13 10.981 15.287 -6.367 1.00 0.00 C ATOM 156 CD LYS A 13 11.918 15.242 -5.172 1.00 0.00 C ATOM 157 CE LYS A 13 13.162 14.419 -5.471 1.00 0.00 C ATOM 158 NZ LYS A 13 13.900 14.939 -6.655 1.00 0.00 N ATOM 0 H LYS A 13 10.653 13.208 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 13 7.895 14.246 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.986 15.991 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.489 15.997 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.102 14.380 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.249 16.126 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.208 16.256 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.396 14.817 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.819 14.426 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.877 13.382 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.822 14.463 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.348 14.754 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.046 15.963 -6.551 1.00 0.00 H new ATOM 172 N GLU A 14 9.283 12.431 -7.439 1.00 0.00 N ATOM 173 CA GLU A 14 9.075 11.736 -8.705 1.00 0.00 C ATOM 174 C GLU A 14 8.303 10.437 -8.492 1.00 0.00 C ATOM 175 O GLU A 14 8.681 9.388 -9.013 1.00 0.00 O ATOM 176 CB GLU A 14 10.419 11.440 -9.375 1.00 0.00 C ATOM 177 CG GLU A 14 11.034 12.647 -10.064 1.00 0.00 C ATOM 178 CD GLU A 14 10.171 13.178 -11.192 1.00 0.00 C ATOM 179 OE1 GLU A 14 9.233 13.952 -10.909 1.00 0.00 O ATOM 180 OE2 GLU A 14 10.435 12.818 -12.359 1.00 0.00 O ATOM 0 H GLU A 14 10.062 12.076 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 14 8.488 12.385 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.115 11.067 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.283 10.644 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.193 13.437 -9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.014 12.376 -10.458 1.00 0.00 H new ATOM 187 N GLN A 15 7.222 10.517 -7.724 1.00 0.00 N ATOM 188 CA GLN A 15 6.398 9.348 -7.441 1.00 0.00 C ATOM 189 C GLN A 15 4.960 9.572 -7.899 1.00 0.00 C ATOM 190 O GLN A 15 4.365 10.624 -7.663 1.00 0.00 O ATOM 191 CB GLN A 15 6.426 9.027 -5.946 1.00 0.00 C ATOM 192 CG GLN A 15 7.813 9.114 -5.331 1.00 0.00 C ATOM 193 CD GLN A 15 7.965 8.234 -4.106 1.00 0.00 C ATOM 194 OE1 GLN A 15 7.025 8.067 -3.328 1.00 0.00 O ATOM 195 NE2 GLN A 15 9.152 7.666 -3.928 1.00 0.00 N ATOM 0 H GLN A 15 6.896 11.379 -7.286 1.00 0.00 H new ATOM 0 HA GLN A 15 6.809 8.503 -7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.762 9.715 -5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.031 8.023 -5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.555 8.825 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.021 10.149 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.903 7.832 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.313 7.063 -3.121 1.00 0.00 H new ATOM 204 N PRO A 16 4.388 8.561 -8.569 1.00 0.00 N ATOM 205 CA PRO A 16 3.013 8.624 -9.073 1.00 0.00 C ATOM 206 C PRO A 16 1.981 8.593 -7.951 1.00 0.00 C ATOM 207 O PRO A 16 2.017 7.717 -7.087 1.00 0.00 O ATOM 208 CB PRO A 16 2.896 7.369 -9.942 1.00 0.00 C ATOM 209 CG PRO A 16 3.904 6.426 -9.383 1.00 0.00 C ATOM 210 CD PRO A 16 5.038 7.279 -8.886 1.00 0.00 C ATOM 0 HA PRO A 16 2.819 9.552 -9.611 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.892 6.948 -9.896 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.100 7.592 -10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.477 5.834 -8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.247 5.725 -10.144 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.514 6.842 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.813 7.398 -9.643 1.00 0.00 H new ATOM 218 N ALA A 17 1.063 9.554 -7.970 1.00 0.00 N ATOM 219 CA ALA A 17 0.021 9.634 -6.954 1.00 0.00 C ATOM 220 C ALA A 17 -0.527 8.251 -6.619 1.00 0.00 C ATOM 221 O ALA A 17 -1.031 8.022 -5.519 1.00 0.00 O ATOM 222 CB ALA A 17 -1.102 10.549 -7.422 1.00 0.00 C ATOM 0 H ALA A 17 1.020 10.287 -8.677 1.00 0.00 H new ATOM 0 HA ALA A 17 0.462 10.050 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.874 10.600 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.705 11.548 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.532 10.155 -8.343 1.00 0.00 H new ATOM 228 N HIS A 18 -0.425 7.332 -7.574 1.00 0.00 N ATOM 229 CA HIS A 18 -0.911 5.970 -7.379 1.00 0.00 C ATOM 230 C HIS A 18 -0.260 5.014 -8.374 1.00 0.00 C ATOM 231 O HIS A 18 -0.368 5.196 -9.587 1.00 0.00 O ATOM 232 CB HIS A 18 -2.432 5.922 -7.528 1.00 0.00 C ATOM 233 CG HIS A 18 -2.946 4.599 -8.006 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.350 3.399 -7.681 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.007 4.291 -8.788 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.021 2.410 -8.244 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.032 2.925 -8.921 1.00 0.00 N ATOM 0 H HIS A 18 -0.011 7.505 -8.490 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.643 5.656 -6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.890 6.155 -6.567 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.745 6.698 -8.227 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.704 4.990 -9.226 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.784 1.359 -8.164 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.719 2.394 -9.456 1.00 0.00 H new ATOM 246 N ARG A 19 0.416 3.995 -7.853 1.00 0.00 N ATOM 247 CA ARG A 19 1.085 3.012 -8.695 1.00 0.00 C ATOM 248 C ARG A 19 0.286 1.713 -8.755 1.00 0.00 C ATOM 249 O ARG A 19 -0.332 1.308 -7.771 1.00 0.00 O ATOM 250 CB ARG A 19 2.494 2.732 -8.168 1.00 0.00 C ATOM 251 CG ARG A 19 3.374 1.980 -9.153 1.00 0.00 C ATOM 252 CD ARG A 19 4.658 1.497 -8.496 1.00 0.00 C ATOM 253 NE ARG A 19 5.621 1.000 -9.475 1.00 0.00 N ATOM 254 CZ ARG A 19 6.452 1.784 -10.152 1.00 0.00 C ATOM 255 NH1 ARG A 19 6.439 3.095 -9.956 1.00 0.00 N ATOM 256 NH2 ARG A 19 7.299 1.257 -11.027 1.00 0.00 N ATOM 0 H ARG A 19 0.514 3.829 -6.851 1.00 0.00 H new ATOM 0 HA ARG A 19 1.156 3.422 -9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.973 3.678 -7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.420 2.155 -7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.826 1.127 -9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.616 2.628 -9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.105 2.314 -7.930 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.425 0.706 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 19 5.657 -0.005 -9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.790 3.504 -9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.078 3.695 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.312 0.249 -11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.937 1.860 -11.546 1.00 0.00 H new ATOM 270 N GLU A 20 0.304 1.066 -9.916 1.00 0.00 N ATOM 271 CA GLU A 20 -0.420 -0.185 -10.104 1.00 0.00 C ATOM 272 C GLU A 20 0.532 -1.377 -10.054 1.00 0.00 C ATOM 273 O GLU A 20 1.602 -1.357 -10.663 1.00 0.00 O ATOM 274 CB GLU A 20 -1.169 -0.172 -11.438 1.00 0.00 C ATOM 275 CG GLU A 20 -2.464 0.621 -11.401 1.00 0.00 C ATOM 276 CD GLU A 20 -3.619 -0.174 -10.824 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.529 -1.419 -10.799 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.613 0.450 -10.397 1.00 0.00 O ATOM 0 H GLU A 20 0.812 1.388 -10.740 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.141 -0.283 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.519 0.246 -12.206 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.390 -1.198 -11.731 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.316 1.523 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.718 0.942 -12.411 1.00 0.00 H new ATOM 285 N VAL A 21 0.134 -2.414 -9.324 1.00 0.00 N ATOM 286 CA VAL A 21 0.950 -3.616 -9.195 1.00 0.00 C ATOM 287 C VAL A 21 0.120 -4.872 -9.433 1.00 0.00 C ATOM 288 O VAL A 21 -0.978 -5.012 -8.896 1.00 0.00 O ATOM 289 CB VAL A 21 1.605 -3.702 -7.803 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.406 -4.988 -7.668 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.485 -2.487 -7.553 1.00 0.00 C ATOM 0 H VAL A 21 -0.748 -2.446 -8.813 1.00 0.00 H new ATOM 0 HA VAL A 21 1.731 -3.552 -9.953 1.00 0.00 H new ATOM 0 HB VAL A 21 0.817 -3.713 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.861 -5.031 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.745 -5.844 -7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.187 -5.012 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.940 -2.564 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.268 -2.443 -8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.879 -1.582 -7.604 1.00 0.00 H new ATOM 301 N GLN A 22 0.654 -5.783 -10.240 1.00 0.00 N ATOM 302 CA GLN A 22 -0.038 -7.029 -10.549 1.00 0.00 C ATOM 303 C GLN A 22 0.761 -8.232 -10.060 1.00 0.00 C ATOM 304 O GLN A 22 1.991 -8.198 -10.022 1.00 0.00 O ATOM 305 CB GLN A 22 -0.282 -7.141 -12.055 1.00 0.00 C ATOM 306 CG GLN A 22 -1.525 -7.939 -12.412 1.00 0.00 C ATOM 307 CD GLN A 22 -1.739 -8.048 -13.909 1.00 0.00 C ATOM 308 OE1 GLN A 22 -2.178 -7.096 -14.556 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.430 -9.211 -14.469 1.00 0.00 N ATOM 0 H GLN A 22 1.563 -5.682 -10.691 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.998 -7.020 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.370 -6.139 -12.476 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.586 -7.608 -12.522 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.444 -8.939 -11.987 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.397 -7.469 -11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.069 -9.973 -13.895 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.553 -9.342 -15.473 1.00 0.00 H new ATOM 318 N ALA A 23 0.054 -9.293 -9.686 1.00 0.00 N ATOM 319 CA ALA A 23 0.698 -10.508 -9.201 1.00 0.00 C ATOM 320 C ALA A 23 -0.150 -11.738 -9.504 1.00 0.00 C ATOM 321 O ALA A 23 -1.270 -11.623 -10.001 1.00 0.00 O ATOM 322 CB ALA A 23 0.965 -10.403 -7.707 1.00 0.00 C ATOM 0 H ALA A 23 -0.965 -9.336 -9.709 1.00 0.00 H new ATOM 0 HA ALA A 23 1.649 -10.618 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.446 -11.317 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.618 -9.552 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.022 -10.264 -7.178 1.00 0.00 H new ATOM 328 N GLU A 24 0.391 -12.914 -9.201 1.00 0.00 N ATOM 329 CA GLU A 24 -0.318 -14.165 -9.444 1.00 0.00 C ATOM 330 C GLU A 24 -0.820 -14.768 -8.135 1.00 0.00 C ATOM 331 O GLU A 24 -0.285 -14.485 -7.063 1.00 0.00 O ATOM 332 CB GLU A 24 0.594 -15.163 -10.161 1.00 0.00 C ATOM 333 CG GLU A 24 0.888 -14.790 -11.604 1.00 0.00 C ATOM 334 CD GLU A 24 1.176 -16.000 -12.472 1.00 0.00 C ATOM 335 OE1 GLU A 24 0.222 -16.734 -12.803 1.00 0.00 O ATOM 336 OE2 GLU A 24 2.357 -16.212 -12.820 1.00 0.00 O ATOM 0 H GLU A 24 1.317 -13.027 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.178 -13.949 -10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.535 -15.240 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.130 -16.149 -10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.037 -14.246 -12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.743 -14.114 -11.634 1.00 0.00 H new ATOM 343 N ALA A 25 -1.851 -15.600 -8.231 1.00 0.00 N ATOM 344 CA ALA A 25 -2.425 -16.245 -7.056 1.00 0.00 C ATOM 345 C ALA A 25 -1.415 -17.173 -6.391 1.00 0.00 C ATOM 346 O ALA A 25 -0.931 -18.122 -7.006 1.00 0.00 O ATOM 347 CB ALA A 25 -3.682 -17.014 -7.437 1.00 0.00 C ATOM 0 H ALA A 25 -2.306 -15.844 -9.111 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.691 -15.468 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.100 -17.490 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.415 -16.327 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.432 -17.776 -8.175 1.00 0.00 H new ATOM 353 N GLY A 26 -1.101 -16.892 -5.130 1.00 0.00 N ATOM 354 CA GLY A 26 -0.149 -17.711 -4.402 1.00 0.00 C ATOM 355 C GLY A 26 1.259 -17.154 -4.462 1.00 0.00 C ATOM 356 O GLY A 26 2.132 -17.574 -3.703 1.00 0.00 O ATOM 0 H GLY A 26 -1.489 -16.112 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.462 -17.788 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.155 -18.721 -4.812 1.00 0.00 H new ATOM 360 N ALA A 27 1.482 -16.207 -5.367 1.00 0.00 N ATOM 361 CA ALA A 27 2.794 -15.592 -5.522 1.00 0.00 C ATOM 362 C ALA A 27 3.070 -14.597 -4.399 1.00 0.00 C ATOM 363 O ALA A 27 2.234 -14.392 -3.519 1.00 0.00 O ATOM 364 CB ALA A 27 2.898 -14.905 -6.875 1.00 0.00 C ATOM 0 H ALA A 27 0.771 -15.849 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 27 3.546 -16.379 -5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.883 -14.450 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.753 -15.639 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.132 -14.133 -6.951 1.00 0.00 H new ATOM 370 N SER A 28 4.248 -13.983 -4.435 1.00 0.00 N ATOM 371 CA SER A 28 4.637 -13.013 -3.418 1.00 0.00 C ATOM 372 C SER A 28 4.854 -11.635 -4.036 1.00 0.00 C ATOM 373 O SER A 28 5.822 -11.415 -4.764 1.00 0.00 O ATOM 374 CB SER A 28 5.910 -13.472 -2.705 1.00 0.00 C ATOM 375 OG SER A 28 6.015 -12.885 -1.419 1.00 0.00 O ATOM 0 H SER A 28 4.950 -14.140 -5.158 1.00 0.00 H new ATOM 0 HA SER A 28 3.828 -12.942 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.908 -14.558 -2.613 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.782 -13.205 -3.302 1.00 0.00 H new ATOM 0 HG SER A 28 6.836 -13.196 -0.984 1.00 0.00 H new ATOM 381 N ALA A 29 3.946 -10.711 -3.740 1.00 0.00 N ATOM 382 CA ALA A 29 4.039 -9.354 -4.263 1.00 0.00 C ATOM 383 C ALA A 29 5.071 -8.537 -3.493 1.00 0.00 C ATOM 384 O ALA A 29 5.661 -9.017 -2.524 1.00 0.00 O ATOM 385 CB ALA A 29 2.679 -8.674 -4.211 1.00 0.00 C ATOM 0 H ALA A 29 3.138 -10.878 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 29 4.364 -9.414 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.763 -7.661 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.967 -9.239 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.331 -8.634 -3.179 1.00 0.00 H new ATOM 391 N THR A 30 5.285 -7.299 -3.929 1.00 0.00 N ATOM 392 CA THR A 30 6.247 -6.417 -3.282 1.00 0.00 C ATOM 393 C THR A 30 6.043 -4.969 -3.715 1.00 0.00 C ATOM 394 O THR A 30 6.395 -4.590 -4.833 1.00 0.00 O ATOM 395 CB THR A 30 7.695 -6.836 -3.596 1.00 0.00 C ATOM 396 OG1 THR A 30 7.916 -8.187 -3.176 1.00 0.00 O ATOM 397 CG2 THR A 30 8.688 -5.915 -2.903 1.00 0.00 C ATOM 0 H THR A 30 4.804 -6.885 -4.728 1.00 0.00 H new ATOM 0 HA THR A 30 6.079 -6.500 -2.208 1.00 0.00 H new ATOM 0 HB THR A 30 7.846 -6.761 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.278 -8.418 -2.469 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.704 -6.231 -3.140 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.537 -4.892 -3.247 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.536 -5.961 -1.825 1.00 0.00 H new ATOM 405 N LEU A 31 5.475 -4.164 -2.824 1.00 0.00 N ATOM 406 CA LEU A 31 5.226 -2.757 -3.115 1.00 0.00 C ATOM 407 C LEU A 31 6.341 -1.879 -2.556 1.00 0.00 C ATOM 408 O LEU A 31 6.338 -1.532 -1.375 1.00 0.00 O ATOM 409 CB LEU A 31 3.880 -2.325 -2.529 1.00 0.00 C ATOM 410 CG LEU A 31 2.749 -3.350 -2.622 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.579 -2.934 -1.744 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.300 -3.520 -4.066 1.00 0.00 C ATOM 0 H LEU A 31 5.178 -4.462 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 31 5.201 -2.635 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.028 -2.071 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.561 -1.414 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 31 3.123 -4.309 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.784 -3.675 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.909 -2.864 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.205 -1.964 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.495 -4.253 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.944 -2.565 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.140 -3.864 -4.670 1.00 0.00 H new ATOM 424 N SER A 32 7.292 -1.522 -3.413 1.00 0.00 N ATOM 425 CA SER A 32 8.415 -0.686 -3.004 1.00 0.00 C ATOM 426 C SER A 32 8.109 0.789 -3.244 1.00 0.00 C ATOM 427 O SER A 32 7.308 1.136 -4.113 1.00 0.00 O ATOM 428 CB SER A 32 9.680 -1.086 -3.766 1.00 0.00 C ATOM 429 OG SER A 32 10.627 -0.032 -3.770 1.00 0.00 O ATOM 0 H SER A 32 7.307 -1.798 -4.395 1.00 0.00 H new ATOM 0 HA SER A 32 8.579 -0.837 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.119 -1.972 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.422 -1.352 -4.791 1.00 0.00 H new ATOM 0 HG SER A 32 11.427 -0.313 -4.261 1.00 0.00 H new ATOM 435 N CYS A 33 8.751 1.654 -2.466 1.00 0.00 N ATOM 436 CA CYS A 33 8.548 3.093 -2.592 1.00 0.00 C ATOM 437 C CYS A 33 9.661 3.863 -1.888 1.00 0.00 C ATOM 438 O CYS A 33 9.994 3.578 -0.738 1.00 0.00 O ATOM 439 CB CYS A 33 7.191 3.490 -2.010 1.00 0.00 C ATOM 440 SG CYS A 33 6.941 2.970 -0.297 1.00 0.00 S ATOM 0 H CYS A 33 9.416 1.384 -1.742 1.00 0.00 H new ATOM 0 HA CYS A 33 8.569 3.347 -3.652 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.086 4.573 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.403 3.059 -2.628 1.00 0.00 H new ATOM 0 HG CYS A 33 7.585 1.861 -0.082 1.00 0.00 H new ATOM 446 N GLU A 34 10.234 4.837 -2.588 1.00 0.00 N ATOM 447 CA GLU A 34 11.312 5.646 -2.031 1.00 0.00 C ATOM 448 C GLU A 34 10.781 6.594 -0.959 1.00 0.00 C ATOM 449 O GLU A 34 9.590 6.903 -0.922 1.00 0.00 O ATOM 450 CB GLU A 34 12.005 6.444 -3.136 1.00 0.00 C ATOM 451 CG GLU A 34 13.001 5.628 -3.943 1.00 0.00 C ATOM 452 CD GLU A 34 13.965 6.496 -4.728 1.00 0.00 C ATOM 453 OE1 GLU A 34 13.610 6.913 -5.850 1.00 0.00 O ATOM 454 OE2 GLU A 34 15.076 6.758 -4.220 1.00 0.00 O ATOM 0 H GLU A 34 9.970 5.085 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 34 12.036 4.974 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.249 6.848 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.521 7.294 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.565 4.981 -3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.460 4.978 -4.631 1.00 0.00 H new ATOM 461 N VAL A 35 11.675 7.053 -0.088 1.00 0.00 N ATOM 462 CA VAL A 35 11.299 7.966 0.984 1.00 0.00 C ATOM 463 C VAL A 35 12.290 9.119 1.097 1.00 0.00 C ATOM 464 O VAL A 35 13.502 8.909 1.116 1.00 0.00 O ATOM 465 CB VAL A 35 11.219 7.238 2.339 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.994 6.337 2.390 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.489 6.440 2.590 1.00 0.00 C ATOM 0 H VAL A 35 12.665 6.807 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 35 10.314 8.360 0.733 1.00 0.00 H new ATOM 0 HB VAL A 35 11.124 7.984 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.954 5.831 3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.094 6.938 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.054 5.595 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.415 5.932 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.617 5.702 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.346 7.114 2.600 1.00 0.00 H new ATOM 477 N ALA A 36 11.765 10.338 1.171 1.00 0.00 N ATOM 478 CA ALA A 36 12.604 11.525 1.285 1.00 0.00 C ATOM 479 C ALA A 36 13.570 11.404 2.458 1.00 0.00 C ATOM 480 O ALA A 36 14.608 12.065 2.489 1.00 0.00 O ATOM 481 CB ALA A 36 11.740 12.768 1.435 1.00 0.00 C ATOM 0 H ALA A 36 10.763 10.529 1.154 1.00 0.00 H new ATOM 0 HA ALA A 36 13.193 11.613 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.379 13.647 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.095 12.870 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.126 12.678 2.331 1.00 0.00 H new ATOM 487 N GLN A 37 13.220 10.558 3.422 1.00 0.00 N ATOM 488 CA GLN A 37 14.057 10.353 4.599 1.00 0.00 C ATOM 489 C GLN A 37 13.981 8.907 5.076 1.00 0.00 C ATOM 490 O GLN A 37 12.919 8.286 5.039 1.00 0.00 O ATOM 491 CB GLN A 37 13.631 11.297 5.724 1.00 0.00 C ATOM 492 CG GLN A 37 13.709 12.768 5.347 1.00 0.00 C ATOM 493 CD GLN A 37 13.098 13.673 6.399 1.00 0.00 C ATOM 494 OE1 GLN A 37 12.212 14.475 6.105 1.00 0.00 O ATOM 495 NE2 GLN A 37 13.571 13.549 7.634 1.00 0.00 N ATOM 0 H GLN A 37 12.364 10.004 3.411 1.00 0.00 H new ATOM 0 HA GLN A 37 15.089 10.571 4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.609 11.060 6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.263 11.120 6.594 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.752 13.046 5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.197 12.924 4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.306 12.871 7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.199 14.132 8.384 1.00 0.00 H new ATOM 504 N ALA A 38 15.114 8.376 5.523 1.00 0.00 N ATOM 505 CA ALA A 38 15.175 7.003 6.009 1.00 0.00 C ATOM 506 C ALA A 38 14.600 6.893 7.417 1.00 0.00 C ATOM 507 O ALA A 38 13.616 6.189 7.641 1.00 0.00 O ATOM 508 CB ALA A 38 16.610 6.497 5.981 1.00 0.00 C ATOM 0 H ALA A 38 16.002 8.876 5.559 1.00 0.00 H new ATOM 0 HA ALA A 38 14.570 6.382 5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.641 5.471 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.988 6.530 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.231 7.128 6.617 1.00 0.00 H new ATOM 514 N GLN A 39 15.221 7.592 8.361 1.00 0.00 N ATOM 515 CA GLN A 39 14.771 7.571 9.748 1.00 0.00 C ATOM 516 C GLN A 39 13.248 7.575 9.825 1.00 0.00 C ATOM 517 O GLN A 39 12.658 6.948 10.706 1.00 0.00 O ATOM 518 CB GLN A 39 15.336 8.772 10.508 1.00 0.00 C ATOM 519 CG GLN A 39 14.870 10.112 9.962 1.00 0.00 C ATOM 520 CD GLN A 39 15.666 11.277 10.515 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.415 11.932 9.790 1.00 0.00 O ATOM 522 NE2 GLN A 39 15.508 11.541 11.807 1.00 0.00 N ATOM 0 H GLN A 39 16.037 8.180 8.191 1.00 0.00 H new ATOM 0 HA GLN A 39 15.138 6.654 10.209 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.048 8.696 11.556 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.425 8.734 10.473 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.951 10.105 8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.816 10.251 10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.876 10.972 12.370 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.018 12.313 12.236 1.00 0.00 H new ATOM 531 N THR A 40 12.615 8.286 8.898 1.00 0.00 N ATOM 532 CA THR A 40 11.160 8.374 8.862 1.00 0.00 C ATOM 533 C THR A 40 10.527 6.988 8.817 1.00 0.00 C ATOM 534 O THR A 40 11.003 6.102 8.108 1.00 0.00 O ATOM 535 CB THR A 40 10.676 9.187 7.646 1.00 0.00 C ATOM 536 OG1 THR A 40 11.179 10.525 7.720 1.00 0.00 O ATOM 537 CG2 THR A 40 9.157 9.214 7.584 1.00 0.00 C ATOM 0 H THR A 40 13.087 8.810 8.161 1.00 0.00 H new ATOM 0 HA THR A 40 10.851 8.882 9.775 1.00 0.00 H new ATOM 0 HB THR A 40 11.053 8.707 6.743 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.744 11.076 7.036 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.838 9.794 6.718 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.778 8.196 7.499 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.764 9.672 8.491 1.00 0.00 H new ATOM 545 N GLU A 41 9.451 6.809 9.577 1.00 0.00 N ATOM 546 CA GLU A 41 8.754 5.529 9.622 1.00 0.00 C ATOM 547 C GLU A 41 7.471 5.579 8.798 1.00 0.00 C ATOM 548 O GLU A 41 6.842 6.630 8.670 1.00 0.00 O ATOM 549 CB GLU A 41 8.429 5.152 11.069 1.00 0.00 C ATOM 550 CG GLU A 41 9.531 4.363 11.755 1.00 0.00 C ATOM 551 CD GLU A 41 9.046 3.640 12.996 1.00 0.00 C ATOM 552 OE1 GLU A 41 8.046 2.898 12.899 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.667 3.816 14.066 1.00 0.00 O ATOM 0 H GLU A 41 9.044 7.533 10.169 1.00 0.00 H new ATOM 0 HA GLU A 41 9.410 4.771 9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.237 6.062 11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.510 4.566 11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.943 3.637 11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.342 5.039 12.027 1.00 0.00 H new ATOM 560 N VAL A 42 7.088 4.435 8.240 1.00 0.00 N ATOM 561 CA VAL A 42 5.880 4.347 7.428 1.00 0.00 C ATOM 562 C VAL A 42 4.945 3.263 7.950 1.00 0.00 C ATOM 563 O VAL A 42 5.347 2.406 8.737 1.00 0.00 O ATOM 564 CB VAL A 42 6.215 4.055 5.953 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.337 4.962 5.470 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.587 2.591 5.772 1.00 0.00 C ATOM 0 H VAL A 42 7.597 3.556 8.335 1.00 0.00 H new ATOM 0 HA VAL A 42 5.382 5.315 7.495 1.00 0.00 H new ATOM 0 HB VAL A 42 5.330 4.259 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.560 4.741 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.028 6.003 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.228 4.792 6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.821 2.402 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.457 2.358 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.750 1.963 6.076 1.00 0.00 H new ATOM 576 N THR A 43 3.692 3.304 7.505 1.00 0.00 N ATOM 577 CA THR A 43 2.698 2.326 7.927 1.00 0.00 C ATOM 578 C THR A 43 1.679 2.066 6.824 1.00 0.00 C ATOM 579 O THR A 43 0.829 2.910 6.540 1.00 0.00 O ATOM 580 CB THR A 43 1.958 2.789 9.196 1.00 0.00 C ATOM 581 OG1 THR A 43 2.896 3.030 10.251 1.00 0.00 O ATOM 582 CG2 THR A 43 0.943 1.747 9.641 1.00 0.00 C ATOM 0 H THR A 43 3.342 4.005 6.852 1.00 0.00 H new ATOM 0 HA THR A 43 3.236 1.403 8.145 1.00 0.00 H new ATOM 0 HB THR A 43 1.429 3.713 8.964 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.417 3.325 11.053 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.433 2.096 10.539 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.213 1.588 8.847 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.455 0.809 9.856 1.00 0.00 H new ATOM 590 N TRP A 44 1.769 0.894 6.206 1.00 0.00 N ATOM 591 CA TRP A 44 0.853 0.523 5.133 1.00 0.00 C ATOM 592 C TRP A 44 -0.572 0.388 5.657 1.00 0.00 C ATOM 593 O TRP A 44 -0.786 0.113 6.838 1.00 0.00 O ATOM 594 CB TRP A 44 1.299 -0.788 4.485 1.00 0.00 C ATOM 595 CG TRP A 44 2.655 -0.708 3.852 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.859 -0.891 4.469 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.944 -0.421 2.479 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.880 -0.735 3.562 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.345 -0.447 2.334 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.156 -0.146 1.359 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.971 -0.208 1.114 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.779 0.092 0.148 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.175 0.059 0.033 1.00 0.00 C ATOM 0 H TRP A 44 2.467 0.184 6.429 1.00 0.00 H new ATOM 0 HA TRP A 44 0.870 1.314 4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.304 -1.574 5.240 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.570 -1.077 3.729 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.990 -1.124 5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.875 -0.820 3.770 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.079 -0.120 1.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.047 -0.232 1.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.179 0.307 -0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.632 0.248 -0.927 1.00 0.00 H new ATOM 614 N TYR A 45 -1.544 0.582 4.773 1.00 0.00 N ATOM 615 CA TYR A 45 -2.950 0.483 5.148 1.00 0.00 C ATOM 616 C TYR A 45 -3.774 -0.124 4.016 1.00 0.00 C ATOM 617 O TYR A 45 -3.877 0.449 2.931 1.00 0.00 O ATOM 618 CB TYR A 45 -3.500 1.862 5.512 1.00 0.00 C ATOM 619 CG TYR A 45 -3.017 2.373 6.851 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.648 1.994 8.029 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.931 3.235 6.937 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.210 2.459 9.255 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.485 3.703 8.158 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.129 3.312 9.314 1.00 0.00 C ATOM 625 OH TYR A 45 -1.689 3.778 10.532 1.00 0.00 O ATOM 0 H TYR A 45 -1.384 0.809 3.791 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.023 -0.171 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.215 2.574 4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.589 1.819 5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.495 1.325 7.986 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.427 3.545 6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.712 2.155 10.162 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.638 4.371 8.207 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.918 4.368 10.397 1.00 0.00 H new ATOM 635 N LYS A 46 -4.360 -1.287 4.277 1.00 0.00 N ATOM 636 CA LYS A 46 -5.177 -1.973 3.284 1.00 0.00 C ATOM 637 C LYS A 46 -6.661 -1.733 3.541 1.00 0.00 C ATOM 638 O LYS A 46 -7.186 -2.101 4.592 1.00 0.00 O ATOM 639 CB LYS A 46 -4.882 -3.475 3.299 1.00 0.00 C ATOM 640 CG LYS A 46 -5.417 -4.212 2.083 1.00 0.00 C ATOM 641 CD LYS A 46 -5.181 -5.709 2.191 1.00 0.00 C ATOM 642 CE LYS A 46 -6.028 -6.480 1.190 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.392 -6.761 1.719 1.00 0.00 N ATOM 0 H LYS A 46 -4.284 -1.775 5.170 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.926 -1.570 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.804 -3.624 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.315 -3.913 4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.484 -4.017 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.934 -3.830 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.126 -5.926 2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.415 -6.043 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.108 -5.909 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.533 -7.419 0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.774 -7.612 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.341 -6.917 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.014 -5.951 1.522 1.00 0.00 H new ATOM 657 N ASP A 47 -7.332 -1.116 2.574 1.00 0.00 N ATOM 658 CA ASP A 47 -8.757 -0.830 2.696 1.00 0.00 C ATOM 659 C ASP A 47 -9.056 -0.103 4.003 1.00 0.00 C ATOM 660 O ASP A 47 -10.070 -0.360 4.650 1.00 0.00 O ATOM 661 CB ASP A 47 -9.568 -2.125 2.621 1.00 0.00 C ATOM 662 CG ASP A 47 -9.577 -2.722 1.227 1.00 0.00 C ATOM 663 OD1 ASP A 47 -9.685 -1.950 0.251 1.00 0.00 O ATOM 664 OD2 ASP A 47 -9.477 -3.961 1.113 1.00 0.00 O ATOM 0 H ASP A 47 -6.912 -0.805 1.698 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.044 -0.183 1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.154 -2.851 3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.593 -1.927 2.935 1.00 0.00 H new ATOM 669 N GLY A 48 -8.165 0.806 4.386 1.00 0.00 N ATOM 670 CA GLY A 48 -8.350 1.555 5.615 1.00 0.00 C ATOM 671 C GLY A 48 -8.161 0.699 6.851 1.00 0.00 C ATOM 672 O GLY A 48 -8.869 0.863 7.845 1.00 0.00 O ATOM 0 H GLY A 48 -7.318 1.037 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.644 2.385 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.351 1.987 5.626 1.00 0.00 H new ATOM 676 N LYS A 49 -7.203 -0.221 6.790 1.00 0.00 N ATOM 677 CA LYS A 49 -6.922 -1.108 7.912 1.00 0.00 C ATOM 678 C LYS A 49 -5.420 -1.323 8.073 1.00 0.00 C ATOM 679 O LYS A 49 -4.778 -1.946 7.227 1.00 0.00 O ATOM 680 CB LYS A 49 -7.622 -2.454 7.713 1.00 0.00 C ATOM 681 CG LYS A 49 -9.133 -2.344 7.606 1.00 0.00 C ATOM 682 CD LYS A 49 -9.794 -2.396 8.973 1.00 0.00 C ATOM 683 CE LYS A 49 -9.654 -3.770 9.608 1.00 0.00 C ATOM 684 NZ LYS A 49 -10.571 -3.941 10.769 1.00 0.00 N ATOM 0 H LYS A 49 -6.609 -0.371 5.975 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.303 -0.638 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.236 -2.925 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.372 -3.111 8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.396 -1.410 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.515 -3.155 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.345 -1.646 9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.850 -2.144 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.864 -4.537 8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.624 -3.916 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.445 -4.891 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.354 -3.225 11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.555 -3.827 10.454 1.00 0.00 H new ATOM 698 N LYS A 50 -4.866 -0.805 9.163 1.00 0.00 N ATOM 699 CA LYS A 50 -3.441 -0.942 9.437 1.00 0.00 C ATOM 700 C LYS A 50 -2.969 -2.367 9.164 1.00 0.00 C ATOM 701 O LYS A 50 -3.545 -3.330 9.671 1.00 0.00 O ATOM 702 CB LYS A 50 -3.140 -0.563 10.889 1.00 0.00 C ATOM 703 CG LYS A 50 -1.751 0.016 11.091 1.00 0.00 C ATOM 704 CD LYS A 50 -1.696 0.921 12.311 1.00 0.00 C ATOM 705 CE LYS A 50 -1.374 0.136 13.573 1.00 0.00 C ATOM 706 NZ LYS A 50 -1.543 0.964 14.799 1.00 0.00 N ATOM 0 H LYS A 50 -5.383 -0.286 9.872 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.903 -0.266 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.880 0.163 11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.251 -1.447 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.031 -0.794 11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.458 0.580 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.942 1.693 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.653 1.429 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.023 -0.738 13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.349 -0.231 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.314 0.393 15.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.906 1.785 14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.527 1.293 14.863 1.00 0.00 H new ATOM 720 N LEU A 51 -1.917 -2.493 8.362 1.00 0.00 N ATOM 721 CA LEU A 51 -1.367 -3.801 8.023 1.00 0.00 C ATOM 722 C LEU A 51 -0.349 -4.250 9.067 1.00 0.00 C ATOM 723 O LEU A 51 0.386 -3.434 9.623 1.00 0.00 O ATOM 724 CB LEU A 51 -0.713 -3.759 6.641 1.00 0.00 C ATOM 725 CG LEU A 51 -1.668 -3.763 5.447 1.00 0.00 C ATOM 726 CD1 LEU A 51 -0.955 -3.283 4.192 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.249 -5.153 5.234 1.00 0.00 C ATOM 0 H LEU A 51 -1.428 -1.706 7.935 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.186 -4.520 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.093 -2.865 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.046 -4.616 6.550 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.488 -3.077 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.650 -3.293 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.588 -2.269 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.115 -3.944 3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.926 -5.137 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.441 -5.860 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.796 -5.459 6.126 1.00 0.00 H new ATOM 739 N SER A 52 -0.310 -5.553 9.326 1.00 0.00 N ATOM 740 CA SER A 52 0.618 -6.111 10.303 1.00 0.00 C ATOM 741 C SER A 52 1.592 -7.078 9.637 1.00 0.00 C ATOM 742 O SER A 52 1.183 -8.020 8.958 1.00 0.00 O ATOM 743 CB SER A 52 -0.151 -6.828 11.415 1.00 0.00 C ATOM 744 OG SER A 52 0.729 -7.294 12.424 1.00 0.00 O ATOM 0 H SER A 52 -0.910 -6.242 8.873 1.00 0.00 H new ATOM 0 HA SER A 52 1.189 -5.290 10.736 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.883 -6.149 11.852 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.705 -7.667 10.995 1.00 0.00 H new ATOM 0 HG SER A 52 0.214 -7.747 13.124 1.00 0.00 H new ATOM 750 N SER A 53 2.884 -6.838 9.838 1.00 0.00 N ATOM 751 CA SER A 53 3.918 -7.685 9.255 1.00 0.00 C ATOM 752 C SER A 53 3.861 -9.093 9.839 1.00 0.00 C ATOM 753 O SER A 53 4.507 -9.386 10.845 1.00 0.00 O ATOM 754 CB SER A 53 5.301 -7.076 9.495 1.00 0.00 C ATOM 755 OG SER A 53 6.327 -8.002 9.183 1.00 0.00 O ATOM 0 H SER A 53 3.239 -6.064 10.400 1.00 0.00 H new ATOM 0 HA SER A 53 3.738 -7.749 8.182 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.418 -6.180 8.886 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.390 -6.767 10.536 1.00 0.00 H new ATOM 0 HG SER A 53 7.201 -7.588 9.343 1.00 0.00 H new ATOM 761 N SER A 54 3.082 -9.961 9.200 1.00 0.00 N ATOM 762 CA SER A 54 2.937 -11.338 9.658 1.00 0.00 C ATOM 763 C SER A 54 3.537 -12.312 8.648 1.00 0.00 C ATOM 764 O SER A 54 3.936 -11.919 7.552 1.00 0.00 O ATOM 765 CB SER A 54 1.461 -11.668 9.886 1.00 0.00 C ATOM 766 OG SER A 54 1.030 -11.222 11.160 1.00 0.00 O ATOM 0 H SER A 54 2.542 -9.735 8.365 1.00 0.00 H new ATOM 0 HA SER A 54 3.475 -11.441 10.600 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.856 -11.200 9.109 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.309 -12.744 9.803 1.00 0.00 H new ATOM 0 HG SER A 54 0.083 -11.443 11.281 1.00 0.00 H new ATOM 772 N SER A 55 3.598 -13.584 9.028 1.00 0.00 N ATOM 773 CA SER A 55 4.153 -14.615 8.159 1.00 0.00 C ATOM 774 C SER A 55 3.721 -14.397 6.712 1.00 0.00 C ATOM 775 O SER A 55 4.438 -14.754 5.777 1.00 0.00 O ATOM 776 CB SER A 55 3.712 -16.002 8.631 1.00 0.00 C ATOM 777 OG SER A 55 4.046 -16.996 7.677 1.00 0.00 O ATOM 0 H SER A 55 3.270 -13.925 9.932 1.00 0.00 H new ATOM 0 HA SER A 55 5.240 -14.550 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.188 -16.234 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.636 -16.006 8.803 1.00 0.00 H new ATOM 0 HG SER A 55 3.755 -17.873 8.003 1.00 0.00 H new ATOM 783 N LYS A 56 2.544 -13.807 6.536 1.00 0.00 N ATOM 784 CA LYS A 56 2.014 -13.538 5.204 1.00 0.00 C ATOM 785 C LYS A 56 2.616 -12.262 4.626 1.00 0.00 C ATOM 786 O LYS A 56 3.293 -12.292 3.598 1.00 0.00 O ATOM 787 CB LYS A 56 0.489 -13.418 5.254 1.00 0.00 C ATOM 788 CG LYS A 56 -0.140 -13.090 3.911 1.00 0.00 C ATOM 789 CD LYS A 56 -1.657 -13.126 3.982 1.00 0.00 C ATOM 790 CE LYS A 56 -2.191 -14.537 3.789 1.00 0.00 C ATOM 791 NZ LYS A 56 -2.321 -14.889 2.347 1.00 0.00 N ATOM 0 H LYS A 56 1.938 -13.506 7.299 1.00 0.00 H new ATOM 0 HA LYS A 56 2.286 -14.372 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.071 -14.355 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.217 -12.644 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.187 -12.102 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.207 -13.802 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.986 -12.740 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.074 -12.470 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.524 -15.248 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.163 -14.627 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.323 -15.048 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.951 -14.110 1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.780 -15.755 2.151 1.00 0.00 H new ATOM 805 N VAL A 57 2.367 -11.140 5.295 1.00 0.00 N ATOM 806 CA VAL A 57 2.886 -9.853 4.849 1.00 0.00 C ATOM 807 C VAL A 57 4.083 -9.422 5.690 1.00 0.00 C ATOM 808 O VAL A 57 4.062 -9.526 6.916 1.00 0.00 O ATOM 809 CB VAL A 57 1.805 -8.757 4.915 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.320 -7.461 4.307 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.537 -9.218 4.213 1.00 0.00 C ATOM 0 H VAL A 57 1.809 -11.097 6.148 1.00 0.00 H new ATOM 0 HA VAL A 57 3.200 -9.981 3.813 1.00 0.00 H new ATOM 0 HB VAL A 57 1.566 -8.569 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.543 -6.699 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.198 -7.124 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.589 -7.630 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.216 -8.432 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.758 -9.435 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.159 -10.118 4.698 1.00 0.00 H new ATOM 821 N ARG A 58 5.125 -8.938 5.022 1.00 0.00 N ATOM 822 CA ARG A 58 6.331 -8.491 5.708 1.00 0.00 C ATOM 823 C ARG A 58 6.742 -7.100 5.236 1.00 0.00 C ATOM 824 O ARG A 58 6.925 -6.867 4.041 1.00 0.00 O ATOM 825 CB ARG A 58 7.474 -9.480 5.471 1.00 0.00 C ATOM 826 CG ARG A 58 8.822 -8.985 5.970 1.00 0.00 C ATOM 827 CD ARG A 58 9.834 -10.116 6.056 1.00 0.00 C ATOM 828 NE ARG A 58 9.491 -11.080 7.098 1.00 0.00 N ATOM 829 CZ ARG A 58 10.381 -11.866 7.694 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.660 -11.802 7.352 1.00 0.00 N ATOM 831 NH2 ARG A 58 9.992 -12.717 8.635 1.00 0.00 N ATOM 0 H ARG A 58 5.158 -8.845 4.007 1.00 0.00 H new ATOM 0 HA ARG A 58 6.115 -8.444 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.237 -10.422 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.546 -9.690 4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.197 -8.210 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.702 -8.527 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.890 -10.626 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.823 -9.703 6.256 1.00 0.00 H new ATOM 0 HE ARG A 58 8.515 -11.154 7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.963 -11.148 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.341 -12.406 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.009 -12.768 8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.676 -13.320 9.092 1.00 0.00 H new ATOM 845 N VAL A 59 6.885 -6.177 6.183 1.00 0.00 N ATOM 846 CA VAL A 59 7.275 -4.809 5.864 1.00 0.00 C ATOM 847 C VAL A 59 8.788 -4.639 5.931 1.00 0.00 C ATOM 848 O VAL A 59 9.349 -4.400 7.000 1.00 0.00 O ATOM 849 CB VAL A 59 6.613 -3.800 6.822 1.00 0.00 C ATOM 850 CG1 VAL A 59 7.007 -2.378 6.454 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.101 -3.964 6.806 1.00 0.00 C ATOM 0 H VAL A 59 6.736 -6.352 7.177 1.00 0.00 H new ATOM 0 HA VAL A 59 6.935 -4.611 4.847 1.00 0.00 H new ATOM 0 HB VAL A 59 6.966 -3.999 7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.530 -1.679 7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.090 -2.271 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.684 -2.163 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.650 -3.244 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.727 -3.792 5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.841 -4.974 7.122 1.00 0.00 H new ATOM 861 N GLU A 60 9.443 -4.764 4.781 1.00 0.00 N ATOM 862 CA GLU A 60 10.893 -4.624 4.710 1.00 0.00 C ATOM 863 C GLU A 60 11.288 -3.170 4.464 1.00 0.00 C ATOM 864 O GLU A 60 10.709 -2.494 3.615 1.00 0.00 O ATOM 865 CB GLU A 60 11.460 -5.512 3.601 1.00 0.00 C ATOM 866 CG GLU A 60 11.811 -6.916 4.064 1.00 0.00 C ATOM 867 CD GLU A 60 12.881 -6.925 5.138 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.928 -6.273 4.939 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.672 -7.584 6.178 1.00 0.00 O ATOM 0 H GLU A 60 8.993 -4.962 3.887 1.00 0.00 H new ATOM 0 HA GLU A 60 11.310 -4.939 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.733 -5.577 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.353 -5.040 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.914 -7.404 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.153 -7.501 3.210 1.00 0.00 H new ATOM 876 N ALA A 61 12.278 -2.697 5.215 1.00 0.00 N ATOM 877 CA ALA A 61 12.752 -1.326 5.079 1.00 0.00 C ATOM 878 C ALA A 61 14.259 -1.286 4.849 1.00 0.00 C ATOM 879 O ALA A 61 15.042 -1.327 5.797 1.00 0.00 O ATOM 880 CB ALA A 61 12.382 -0.514 6.311 1.00 0.00 C ATOM 0 H ALA A 61 12.767 -3.244 5.924 1.00 0.00 H new ATOM 0 HA ALA A 61 12.266 -0.885 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.743 0.508 6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.298 -0.505 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.839 -0.962 7.193 1.00 0.00 H new ATOM 886 N VAL A 62 14.658 -1.205 3.584 1.00 0.00 N ATOM 887 CA VAL A 62 16.071 -1.159 3.229 1.00 0.00 C ATOM 888 C VAL A 62 16.530 0.273 2.982 1.00 0.00 C ATOM 889 O VAL A 62 16.246 0.855 1.935 1.00 0.00 O ATOM 890 CB VAL A 62 16.364 -2.004 1.975 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.282 -3.488 2.300 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.402 -1.642 0.854 1.00 0.00 C ATOM 0 H VAL A 62 14.022 -1.170 2.787 1.00 0.00 H new ATOM 0 HA VAL A 62 16.622 -1.573 4.073 1.00 0.00 H new ATOM 0 HB VAL A 62 17.378 -1.786 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.492 -4.069 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.014 -3.733 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.282 -3.727 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.623 -2.248 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.378 -1.831 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.514 -0.587 0.605 1.00 0.00 H new ATOM 902 N GLY A 63 17.241 0.838 3.953 1.00 0.00 N ATOM 903 CA GLY A 63 17.728 2.199 3.821 1.00 0.00 C ATOM 904 C GLY A 63 16.615 3.188 3.535 1.00 0.00 C ATOM 905 O GLY A 63 15.787 3.468 4.402 1.00 0.00 O ATOM 0 H GLY A 63 17.489 0.378 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.240 2.489 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.463 2.242 3.018 1.00 0.00 H new ATOM 909 N CYS A 64 16.596 3.719 2.318 1.00 0.00 N ATOM 910 CA CYS A 64 15.577 4.684 1.921 1.00 0.00 C ATOM 911 C CYS A 64 14.579 4.055 0.955 1.00 0.00 C ATOM 912 O CYS A 64 14.145 4.689 -0.008 1.00 0.00 O ATOM 913 CB CYS A 64 16.229 5.908 1.274 1.00 0.00 C ATOM 914 SG CYS A 64 16.798 7.152 2.457 1.00 0.00 S ATOM 0 H CYS A 64 17.274 3.498 1.589 1.00 0.00 H new ATOM 0 HA CYS A 64 15.040 4.997 2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 64 17.076 5.580 0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 64 15.514 6.370 0.593 1.00 0.00 H new ATOM 0 HG CYS A 64 17.336 8.147 1.816 1.00 0.00 H new ATOM 920 N THR A 65 14.218 2.803 1.217 1.00 0.00 N ATOM 921 CA THR A 65 13.273 2.086 0.370 1.00 0.00 C ATOM 922 C THR A 65 12.373 1.176 1.197 1.00 0.00 C ATOM 923 O THR A 65 12.846 0.238 1.840 1.00 0.00 O ATOM 924 CB THR A 65 14.000 1.241 -0.693 1.00 0.00 C ATOM 925 OG1 THR A 65 14.537 2.092 -1.713 1.00 0.00 O ATOM 926 CG2 THR A 65 13.054 0.227 -1.319 1.00 0.00 C ATOM 0 H THR A 65 14.566 2.264 2.010 1.00 0.00 H new ATOM 0 HA THR A 65 12.663 2.839 -0.129 1.00 0.00 H new ATOM 0 HB THR A 65 14.812 0.703 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.999 1.547 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.590 -0.358 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.670 -0.438 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.224 0.749 -1.794 1.00 0.00 H new ATOM 934 N ARG A 66 11.075 1.458 1.177 1.00 0.00 N ATOM 935 CA ARG A 66 10.108 0.664 1.926 1.00 0.00 C ATOM 936 C ARG A 66 9.333 -0.267 0.999 1.00 0.00 C ATOM 937 O ARG A 66 8.608 0.186 0.114 1.00 0.00 O ATOM 938 CB ARG A 66 9.138 1.578 2.676 1.00 0.00 C ATOM 939 CG ARG A 66 9.826 2.671 3.477 1.00 0.00 C ATOM 940 CD ARG A 66 10.520 2.107 4.707 1.00 0.00 C ATOM 941 NE ARG A 66 11.341 3.110 5.381 1.00 0.00 N ATOM 942 CZ ARG A 66 12.592 3.389 5.034 1.00 0.00 C ATOM 943 NH1 ARG A 66 13.164 2.744 4.027 1.00 0.00 N ATOM 944 NH2 ARG A 66 13.275 4.315 5.696 1.00 0.00 N ATOM 0 H ARG A 66 10.668 2.231 0.650 1.00 0.00 H new ATOM 0 HA ARG A 66 10.655 0.057 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.458 2.038 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.530 0.974 3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.556 3.180 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.092 3.417 3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.772 1.724 5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.145 1.263 4.415 1.00 0.00 H new ATOM 0 HE ARG A 66 10.931 3.624 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.643 2.031 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.125 2.961 3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.839 4.813 6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.236 4.529 5.429 1.00 0.00 H new ATOM 958 N ARG A 67 9.494 -1.570 1.208 1.00 0.00 N ATOM 959 CA ARG A 67 8.811 -2.564 0.390 1.00 0.00 C ATOM 960 C ARG A 67 7.899 -3.439 1.245 1.00 0.00 C ATOM 961 O ARG A 67 8.217 -3.750 2.394 1.00 0.00 O ATOM 962 CB ARG A 67 9.829 -3.438 -0.345 1.00 0.00 C ATOM 963 CG ARG A 67 10.595 -4.380 0.568 1.00 0.00 C ATOM 964 CD ARG A 67 11.827 -4.946 -0.121 1.00 0.00 C ATOM 965 NE ARG A 67 11.515 -6.130 -0.916 1.00 0.00 N ATOM 966 CZ ARG A 67 11.461 -7.359 -0.415 1.00 0.00 C ATOM 967 NH1 ARG A 67 11.697 -7.564 0.873 1.00 0.00 N ATOM 968 NH2 ARG A 67 11.169 -8.386 -1.204 1.00 0.00 N ATOM 0 H ARG A 67 10.091 -1.961 1.937 1.00 0.00 H new ATOM 0 HA ARG A 67 8.199 -2.036 -0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.311 -4.023 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.538 -2.795 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.894 -3.849 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.943 -5.197 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.265 -4.183 -0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.577 -5.200 0.628 1.00 0.00 H new ATOM 0 HE ARG A 67 11.328 -6.007 -1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.921 -6.777 1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.655 -8.509 1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.986 -8.232 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.128 -9.330 -0.819 1.00 0.00 H new ATOM 982 N LEU A 68 6.763 -3.832 0.679 1.00 0.00 N ATOM 983 CA LEU A 68 5.804 -4.670 1.389 1.00 0.00 C ATOM 984 C LEU A 68 5.603 -5.999 0.668 1.00 0.00 C ATOM 985 O LEU A 68 4.850 -6.083 -0.302 1.00 0.00 O ATOM 986 CB LEU A 68 4.464 -3.943 1.526 1.00 0.00 C ATOM 987 CG LEU A 68 3.463 -4.559 2.504 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.661 -3.989 3.900 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.038 -4.324 2.027 1.00 0.00 C ATOM 0 H LEU A 68 6.484 -3.583 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 68 6.203 -4.874 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.660 -2.917 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.997 -3.895 0.542 1.00 0.00 H new ATOM 0 HG LEU A 68 3.638 -5.634 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.940 -4.439 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.672 -4.210 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.513 -2.909 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.339 -4.769 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.850 -3.253 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.902 -4.782 1.047 1.00 0.00 H new ATOM 1001 N VAL A 69 6.280 -7.036 1.151 1.00 0.00 N ATOM 1002 CA VAL A 69 6.173 -8.363 0.555 1.00 0.00 C ATOM 1003 C VAL A 69 4.909 -9.076 1.022 1.00 0.00 C ATOM 1004 O VAL A 69 4.750 -9.367 2.208 1.00 0.00 O ATOM 1005 CB VAL A 69 7.397 -9.232 0.898 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.294 -10.591 0.223 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.683 -8.525 0.497 1.00 0.00 C ATOM 0 H VAL A 69 6.908 -6.983 1.953 1.00 0.00 H new ATOM 0 HA VAL A 69 6.128 -8.222 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 69 7.417 -9.389 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.168 -11.191 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.393 -11.100 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.247 -10.458 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.537 -9.154 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.674 -8.335 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.760 -7.579 1.033 1.00 0.00 H new ATOM 1017 N VAL A 70 4.012 -9.355 0.082 1.00 0.00 N ATOM 1018 CA VAL A 70 2.762 -10.036 0.397 1.00 0.00 C ATOM 1019 C VAL A 70 2.798 -11.490 -0.059 1.00 0.00 C ATOM 1020 O VAL A 70 2.546 -11.791 -1.225 1.00 0.00 O ATOM 1021 CB VAL A 70 1.559 -9.333 -0.259 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.269 -10.076 0.055 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.475 -7.885 0.197 1.00 0.00 C ATOM 0 H VAL A 70 4.128 -9.120 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 70 2.647 -10.001 1.480 1.00 0.00 H new ATOM 0 HB VAL A 70 1.700 -9.342 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.570 -9.564 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.334 -11.095 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.117 -10.102 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.619 -7.404 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.357 -7.851 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.388 -7.361 -0.085 1.00 0.00 H new ATOM 1033 N GLN A 71 3.112 -12.388 0.869 1.00 0.00 N ATOM 1034 CA GLN A 71 3.181 -13.812 0.561 1.00 0.00 C ATOM 1035 C GLN A 71 1.790 -14.382 0.308 1.00 0.00 C ATOM 1036 O GLN A 71 0.823 -13.999 0.966 1.00 0.00 O ATOM 1037 CB GLN A 71 3.856 -14.570 1.706 1.00 0.00 C ATOM 1038 CG GLN A 71 5.213 -14.006 2.094 1.00 0.00 C ATOM 1039 CD GLN A 71 5.888 -14.809 3.188 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.536 -15.963 3.434 1.00 0.00 O ATOM 1041 NE2 GLN A 71 6.864 -14.201 3.853 1.00 0.00 N ATOM 0 H GLN A 71 3.323 -12.155 1.840 1.00 0.00 H new ATOM 0 HA GLN A 71 3.774 -13.934 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.202 -14.552 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.975 -15.615 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.857 -13.983 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.092 -12.975 2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.123 -13.243 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.354 -14.692 4.601 1.00 0.00 H new ATOM 1050 N GLN A 72 1.697 -15.299 -0.650 1.00 0.00 N ATOM 1051 CA GLN A 72 0.423 -15.921 -0.990 1.00 0.00 C ATOM 1052 C GLN A 72 -0.606 -14.870 -1.392 1.00 0.00 C ATOM 1053 O GLN A 72 -1.733 -14.869 -0.897 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.101 -16.739 0.191 1.00 0.00 C ATOM 1055 CG GLN A 72 0.504 -18.131 0.284 1.00 0.00 C ATOM 1056 CD GLN A 72 0.067 -18.876 1.529 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.350 -18.268 2.516 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.159 -20.200 1.491 1.00 0.00 N ATOM 0 H GLN A 72 2.488 -15.627 -1.204 1.00 0.00 H new ATOM 0 HA GLN A 72 0.587 -16.585 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.105 -16.200 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.184 -16.828 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.220 -18.706 -0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.591 -18.052 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.510 -20.663 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.121 -20.754 2.300 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.210 -13.975 -2.292 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.099 -12.919 -2.761 1.00 0.00 C ATOM 1069 C ALA A 73 -2.377 -13.501 -3.356 1.00 0.00 C ATOM 1070 O ALA A 73 -2.391 -13.951 -4.501 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.387 -12.047 -3.785 1.00 0.00 C ATOM 0 H ALA A 73 0.720 -13.960 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.376 -12.304 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.062 -11.262 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.493 -11.595 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.082 -12.658 -4.634 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.449 -13.489 -2.570 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.717 -14.019 -3.037 1.00 0.00 C ATOM 1079 C GLY A 74 -5.798 -12.959 -3.106 1.00 0.00 C ATOM 1080 O GLY A 74 -5.597 -11.830 -2.661 1.00 0.00 O ATOM 0 H GLY A 74 -3.462 -13.122 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.581 -14.460 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.040 -14.820 -2.372 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.946 -13.323 -3.668 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.062 -12.394 -3.796 1.00 0.00 C ATOM 1086 C GLN A 75 -8.123 -11.448 -2.601 1.00 0.00 C ATOM 1087 O GLN A 75 -8.120 -10.228 -2.761 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.380 -13.160 -3.924 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.499 -13.956 -5.213 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.061 -13.164 -6.430 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -9.655 -12.140 -6.765 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.015 -13.637 -7.099 1.00 0.00 N ATOM 0 H GLN A 75 -7.127 -14.255 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.906 -11.801 -4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.480 -13.839 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.208 -12.454 -3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.894 -14.859 -5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.533 -14.275 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.552 -14.490 -6.785 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.675 -13.147 -7.926 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.179 -12.021 -1.403 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.240 -11.229 -0.180 1.00 0.00 C ATOM 1103 C ALA A 76 -7.142 -10.171 -0.156 1.00 0.00 C ATOM 1104 O ALA A 76 -7.412 -8.988 0.041 1.00 0.00 O ATOM 1105 CB ALA A 76 -8.131 -12.133 1.039 1.00 0.00 C ATOM 0 H ALA A 76 -8.183 -13.030 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.202 -10.717 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.178 -11.529 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.954 -12.848 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.183 -12.670 1.010 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.902 -10.607 -0.358 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.763 -9.696 -0.358 1.00 0.00 C ATOM 1113 C GLU A 77 -4.936 -8.609 -1.415 1.00 0.00 C ATOM 1114 O GLU A 77 -4.587 -7.451 -1.192 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.465 -10.467 -0.610 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.905 -11.138 0.632 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.811 -12.233 1.162 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -4.112 -13.175 0.399 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -4.220 -12.148 2.339 1.00 0.00 O ATOM 0 H GLU A 77 -5.661 -11.584 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.710 -9.221 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.645 -11.225 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.718 -9.782 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.927 -11.560 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.754 -10.388 1.409 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.476 -8.993 -2.568 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.696 -8.053 -3.659 1.00 0.00 C ATOM 1128 C ALA A 78 -6.611 -6.913 -3.225 1.00 0.00 C ATOM 1129 O ALA A 78 -7.750 -7.139 -2.817 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.281 -8.772 -4.865 1.00 0.00 C ATOM 0 H ALA A 78 -5.769 -9.949 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.733 -7.625 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.440 -8.058 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.590 -9.547 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.233 -9.228 -4.591 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.105 -5.686 -3.315 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.891 -4.529 -2.927 1.00 0.00 C ATOM 1138 C GLY A 79 -6.167 -3.223 -3.188 1.00 0.00 C ATOM 1139 O GLY A 79 -5.666 -2.994 -4.288 1.00 0.00 O ATOM 0 H GLY A 79 -5.165 -5.473 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.834 -4.534 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.137 -4.599 -1.867 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.114 -2.364 -2.175 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.449 -1.073 -2.303 1.00 0.00 C ATOM 1145 C GLU A 80 -4.587 -0.782 -1.078 1.00 0.00 C ATOM 1146 O GLU A 80 -5.102 -0.533 0.012 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.481 0.041 -2.490 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.907 0.239 -3.935 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.847 1.416 -4.110 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.697 2.410 -3.369 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -8.733 1.343 -4.988 1.00 0.00 O ATOM 0 H GLU A 80 -6.523 -2.539 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.803 -1.111 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.361 -0.186 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.068 0.975 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.022 0.390 -4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.395 -0.667 -4.293 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.272 -0.816 -1.266 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.338 -0.559 -0.177 1.00 0.00 C ATOM 1160 C TYR A 81 -1.893 0.901 -0.174 1.00 0.00 C ATOM 1161 O TYR A 81 -1.413 1.417 -1.183 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.119 -1.475 -0.295 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.445 -2.941 -0.123 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.222 -3.615 -1.058 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -0.976 -3.653 0.975 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.522 -4.954 -0.904 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.271 -4.993 1.135 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.044 -5.639 0.194 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.341 -6.974 0.351 1.00 0.00 O ATOM 0 H TYR A 81 -2.829 -1.019 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.850 -0.766 0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.656 -1.326 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.383 -1.185 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.597 -3.082 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.371 -3.150 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.128 -5.463 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.898 -5.532 1.993 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.155 -7.189 -0.151 1.00 0.00 H new ATOM 1179 N SER A 82 -2.055 1.560 0.969 1.00 0.00 N ATOM 1180 CA SER A 82 -1.673 2.961 1.105 1.00 0.00 C ATOM 1181 C SER A 82 -0.530 3.118 2.103 1.00 0.00 C ATOM 1182 O SER A 82 -0.710 2.925 3.306 1.00 0.00 O ATOM 1183 CB SER A 82 -2.874 3.797 1.551 1.00 0.00 C ATOM 1184 OG SER A 82 -3.943 3.687 0.627 1.00 0.00 O ATOM 0 H SER A 82 -2.448 1.146 1.814 1.00 0.00 H new ATOM 0 HA SER A 82 -1.333 3.316 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.205 3.467 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.578 4.842 1.647 1.00 0.00 H new ATOM 0 HG SER A 82 -4.699 4.229 0.935 1.00 0.00 H new ATOM 1190 N CYS A 83 0.646 3.470 1.595 1.00 0.00 N ATOM 1191 CA CYS A 83 1.820 3.653 2.441 1.00 0.00 C ATOM 1192 C CYS A 83 1.785 5.012 3.133 1.00 0.00 C ATOM 1193 O CYS A 83 2.213 6.018 2.567 1.00 0.00 O ATOM 1194 CB CYS A 83 3.098 3.523 1.611 1.00 0.00 C ATOM 1195 SG CYS A 83 4.617 3.846 2.537 1.00 0.00 S ATOM 0 H CYS A 83 0.812 3.634 0.602 1.00 0.00 H new ATOM 0 HA CYS A 83 1.811 2.876 3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.147 2.517 1.194 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.044 4.214 0.770 1.00 0.00 H new ATOM 0 HG CYS A 83 5.646 3.616 1.777 1.00 0.00 H new ATOM 1201 N GLU A 84 1.271 5.034 4.358 1.00 0.00 N ATOM 1202 CA GLU A 84 1.178 6.270 5.126 1.00 0.00 C ATOM 1203 C GLU A 84 2.506 6.589 5.807 1.00 0.00 C ATOM 1204 O GLU A 84 3.207 5.692 6.275 1.00 0.00 O ATOM 1205 CB GLU A 84 0.068 6.164 6.173 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.593 7.494 6.495 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.100 7.562 7.923 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.347 7.170 8.838 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -2.249 8.008 8.124 1.00 0.00 O ATOM 0 H GLU A 84 0.912 4.210 4.840 1.00 0.00 H new ATOM 0 HA GLU A 84 0.940 7.079 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.691 5.467 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.483 5.743 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.121 8.300 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.425 7.658 5.810 1.00 0.00 H new ATOM 1216 N ALA A 85 2.845 7.873 5.857 1.00 0.00 N ATOM 1217 CA ALA A 85 4.087 8.311 6.481 1.00 0.00 C ATOM 1218 C ALA A 85 4.119 9.828 6.637 1.00 0.00 C ATOM 1219 O ALA A 85 4.209 10.561 5.653 1.00 0.00 O ATOM 1220 CB ALA A 85 5.283 7.837 5.668 1.00 0.00 C ATOM 0 H ALA A 85 2.277 8.628 5.473 1.00 0.00 H new ATOM 0 HA ALA A 85 4.139 7.869 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.204 8.172 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.277 6.748 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.226 8.251 4.661 1.00 0.00 H new ATOM 1226 N GLY A 86 4.042 10.292 7.880 1.00 0.00 N ATOM 1227 CA GLY A 86 4.062 11.720 8.141 1.00 0.00 C ATOM 1228 C GLY A 86 2.749 12.391 7.793 1.00 0.00 C ATOM 1229 O GLY A 86 1.925 12.652 8.670 1.00 0.00 O ATOM 0 H GLY A 86 3.966 9.705 8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.286 11.891 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.865 12.180 7.566 1.00 0.00 H new ATOM 1233 N GLY A 87 2.552 12.674 6.509 1.00 0.00 N ATOM 1234 CA GLY A 87 1.328 13.319 6.070 1.00 0.00 C ATOM 1235 C GLY A 87 0.991 13.002 4.627 1.00 0.00 C ATOM 1236 O GLY A 87 0.179 13.689 4.008 1.00 0.00 O ATOM 0 H GLY A 87 3.218 12.468 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.504 13.003 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.427 14.398 6.188 1.00 0.00 H new ATOM 1240 N GLN A 88 1.616 11.959 4.090 1.00 0.00 N ATOM 1241 CA GLN A 88 1.379 11.554 2.710 1.00 0.00 C ATOM 1242 C GLN A 88 1.100 10.057 2.621 1.00 0.00 C ATOM 1243 O GLN A 88 1.505 9.289 3.493 1.00 0.00 O ATOM 1244 CB GLN A 88 2.582 11.913 1.837 1.00 0.00 C ATOM 1245 CG GLN A 88 2.675 13.394 1.508 1.00 0.00 C ATOM 1246 CD GLN A 88 3.626 13.679 0.361 1.00 0.00 C ATOM 1247 OE1 GLN A 88 3.565 13.034 -0.686 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.511 14.650 0.553 1.00 0.00 N ATOM 0 H GLN A 88 2.290 11.379 4.590 1.00 0.00 H new ATOM 0 HA GLN A 88 0.502 12.090 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.495 11.605 2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.528 11.346 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.683 13.769 1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.005 13.939 2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.526 15.159 1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.176 14.887 -0.183 1.00 0.00 H new ATOM 1257 N GLN A 89 0.406 9.651 1.563 1.00 0.00 N ATOM 1258 CA GLN A 89 0.072 8.246 1.362 1.00 0.00 C ATOM 1259 C GLN A 89 0.077 7.892 -0.121 1.00 0.00 C ATOM 1260 O GLN A 89 -0.514 8.597 -0.940 1.00 0.00 O ATOM 1261 CB GLN A 89 -1.297 7.934 1.969 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.343 8.092 3.480 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.740 8.378 3.995 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.657 7.575 3.816 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -2.911 9.527 4.638 1.00 0.00 N ATOM 0 H GLN A 89 0.064 10.275 0.832 1.00 0.00 H new ATOM 0 HA GLN A 89 0.829 7.643 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.042 8.591 1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.576 6.912 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.967 7.182 3.948 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.677 8.902 3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.124 10.163 4.764 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.830 9.774 5.006 1.00 0.00 H new ATOM 1274 N LEU A 90 0.746 6.796 -0.460 1.00 0.00 N ATOM 1275 CA LEU A 90 0.828 6.348 -1.846 1.00 0.00 C ATOM 1276 C LEU A 90 -0.044 5.118 -2.073 1.00 0.00 C ATOM 1277 O LEU A 90 0.113 4.100 -1.399 1.00 0.00 O ATOM 1278 CB LEU A 90 2.279 6.033 -2.216 1.00 0.00 C ATOM 1279 CG LEU A 90 3.240 7.223 -2.234 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.682 6.743 -2.299 1.00 0.00 C ATOM 1281 CD2 LEU A 90 2.929 8.142 -3.407 1.00 0.00 C ATOM 0 H LEU A 90 1.240 6.201 0.205 1.00 0.00 H new ATOM 0 HA LEU A 90 0.463 7.153 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.661 5.294 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.289 5.568 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 90 3.107 7.787 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.352 7.603 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.900 6.126 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.829 6.156 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.622 8.983 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.034 7.589 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.908 8.513 -3.318 1.00 0.00 H new ATOM 1293 N SER A 91 -0.963 5.219 -3.029 1.00 0.00 N ATOM 1294 CA SER A 91 -1.862 4.115 -3.344 1.00 0.00 C ATOM 1295 C SER A 91 -1.146 3.049 -4.168 1.00 0.00 C ATOM 1296 O SER A 91 -0.445 3.359 -5.131 1.00 0.00 O ATOM 1297 CB SER A 91 -3.086 4.628 -4.106 1.00 0.00 C ATOM 1298 OG SER A 91 -3.371 5.973 -3.766 1.00 0.00 O ATOM 0 H SER A 91 -1.104 6.054 -3.598 1.00 0.00 H new ATOM 0 HA SER A 91 -2.188 3.666 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.909 4.550 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.949 4.002 -3.879 1.00 0.00 H new ATOM 0 HG SER A 91 -4.156 6.278 -4.267 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.327 1.791 -3.781 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.698 0.677 -4.482 1.00 0.00 C ATOM 1306 C PHE A 92 -1.711 -0.426 -4.770 1.00 0.00 C ATOM 1307 O PHE A 92 -1.986 -1.270 -3.917 1.00 0.00 O ATOM 1308 CB PHE A 92 0.462 0.117 -3.656 1.00 0.00 C ATOM 1309 CG PHE A 92 1.720 0.932 -3.759 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.652 0.669 -4.750 1.00 0.00 C ATOM 1311 CD2 PHE A 92 1.970 1.960 -2.864 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.810 1.417 -4.848 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.126 2.711 -2.958 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.048 2.439 -3.950 1.00 0.00 C ATOM 0 H PHE A 92 -1.904 1.517 -2.986 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.313 1.049 -5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.159 0.061 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.671 -0.902 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.471 -0.130 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.254 2.176 -2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.528 1.203 -5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.309 3.511 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.953 3.024 -4.023 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.264 -0.413 -5.979 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.248 -1.411 -6.380 1.00 0.00 C ATOM 1326 C ARG A 93 -2.588 -2.768 -6.601 1.00 0.00 C ATOM 1327 O ARG A 93 -1.715 -2.914 -7.458 1.00 0.00 O ATOM 1328 CB ARG A 93 -3.965 -0.967 -7.657 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.077 -1.908 -8.089 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.276 -1.819 -7.158 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.067 -0.614 -7.398 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.865 -0.456 -8.447 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.979 -1.421 -9.349 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.553 0.669 -8.596 1.00 0.00 N ATOM 0 H ARG A 93 -2.047 0.278 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.978 -1.508 -5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.382 0.028 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.236 -0.885 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.386 -1.665 -9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.703 -2.932 -8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.905 -2.699 -7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.933 -1.828 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.002 0.147 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.453 -2.288 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.593 -1.297 -10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.469 1.414 -7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.166 0.789 -9.403 1.00 0.00 H new ATOM 1348 N LEU A 94 -3.008 -3.759 -5.822 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.457 -5.105 -5.932 1.00 0.00 C ATOM 1350 C LEU A 94 -3.486 -6.069 -6.513 1.00 0.00 C ATOM 1351 O LEU A 94 -4.459 -6.427 -5.850 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.995 -5.601 -4.560 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.758 -7.107 -4.436 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.564 -7.531 -5.278 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.551 -7.496 -2.980 1.00 0.00 C ATOM 0 H LEU A 94 -3.728 -3.656 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.601 -5.067 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.070 -5.085 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.740 -5.308 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.641 -7.626 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.411 -8.605 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.752 -7.288 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.327 -7.004 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.384 -8.571 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.685 -6.968 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.436 -7.229 -2.403 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.263 -6.486 -7.755 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.171 -7.410 -8.425 1.00 0.00 C ATOM 1369 C GLN A 95 -3.626 -8.833 -8.385 1.00 0.00 C ATOM 1370 O GLN A 95 -2.414 -9.047 -8.426 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.394 -6.977 -9.875 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.113 -5.644 -10.009 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.831 -5.499 -11.336 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -5.676 -6.328 -12.233 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -6.622 -4.441 -11.469 1.00 0.00 N ATOM 0 H GLN A 95 -2.462 -6.199 -8.318 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.124 -7.391 -7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.429 -6.912 -10.378 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.971 -7.745 -10.390 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.833 -5.541 -9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.392 -4.834 -9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.721 -3.779 -10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.130 -4.291 -12.340 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.529 -9.806 -8.304 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.138 -11.210 -8.260 1.00 0.00 C ATOM 1386 C VAL A 96 -4.676 -11.968 -9.468 1.00 0.00 C ATOM 1387 O VAL A 96 -5.806 -11.746 -9.900 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.642 -11.891 -6.973 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.417 -13.394 -7.042 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.956 -11.297 -5.752 1.00 0.00 C ATOM 0 H VAL A 96 -5.536 -9.647 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.048 -11.237 -8.274 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.713 -11.711 -6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.779 -13.859 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.958 -13.804 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.352 -13.598 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.324 -11.790 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.879 -11.445 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.173 -10.230 -5.696 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.858 -12.866 -10.008 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.252 -13.660 -11.165 1.00 0.00 C ATOM 1402 C ALA A 97 -4.547 -15.101 -10.767 1.00 0.00 C ATOM 1403 O ALA A 97 -3.833 -15.691 -9.957 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.165 -13.616 -12.230 1.00 0.00 C ATOM 0 H ALA A 97 -2.918 -13.062 -9.662 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.166 -13.230 -11.576 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.472 -14.213 -13.088 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.005 -12.585 -12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.238 -14.019 -11.821 1.00 0.00 H new ATOM 1410 N GLY A 98 -5.607 -15.664 -11.341 1.00 0.00 N ATOM 1411 CA GLY A 98 -5.979 -17.032 -11.032 1.00 0.00 C ATOM 1412 C GLY A 98 -6.743 -17.145 -9.728 1.00 0.00 C ATOM 1413 O GLY A 98 -7.364 -16.181 -9.280 1.00 0.00 O ATOM 0 H GLY A 98 -6.214 -15.197 -12.014 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.589 -17.431 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.080 -17.646 -10.977 1.00 0.00 H new ATOM 1417 N GLN A 99 -6.699 -18.325 -9.118 1.00 0.00 N ATOM 1418 CA GLN A 99 -7.395 -18.560 -7.858 1.00 0.00 C ATOM 1419 C GLN A 99 -6.524 -19.361 -6.896 1.00 0.00 C ATOM 1420 O GLN A 99 -5.687 -20.159 -7.318 1.00 0.00 O ATOM 1421 CB GLN A 99 -8.711 -19.299 -8.109 1.00 0.00 C ATOM 1422 CG GLN A 99 -9.772 -18.442 -8.780 1.00 0.00 C ATOM 1423 CD GLN A 99 -11.156 -19.057 -8.700 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -12.083 -18.459 -8.152 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -11.302 -20.258 -9.247 1.00 0.00 N ATOM 0 H GLN A 99 -6.189 -19.133 -9.475 1.00 0.00 H new ATOM 0 HA GLN A 99 -7.610 -17.592 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.515 -20.172 -8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.099 -19.665 -7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.788 -17.458 -8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.505 -18.293 -9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.506 -20.717 -9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.210 -20.722 -9.224 1.00 0.00 H new ATOM 1434 N CYS A 100 -6.726 -19.141 -5.601 1.00 0.00 N ATOM 1435 CA CYS A 100 -5.958 -19.842 -4.578 1.00 0.00 C ATOM 1436 C CYS A 100 -6.620 -21.166 -4.212 1.00 0.00 C ATOM 1437 O CYS A 100 -7.579 -21.200 -3.441 1.00 0.00 O ATOM 1438 CB CYS A 100 -5.814 -18.968 -3.331 1.00 0.00 C ATOM 1439 SG CYS A 100 -4.313 -19.286 -2.376 1.00 0.00 S ATOM 0 H CYS A 100 -7.414 -18.483 -5.235 1.00 0.00 H new ATOM 0 HA CYS A 100 -4.968 -20.052 -4.982 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -5.825 -17.920 -3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -6.680 -19.125 -2.689 1.00 0.00 H new ATOM 0 HG CYS A 100 -4.281 -18.497 -1.343 1.00 0.00 H new ATOM 1445 N PHE A 101 -6.104 -22.254 -4.773 1.00 0.00 N ATOM 1446 CA PHE A 101 -6.646 -23.582 -4.508 1.00 0.00 C ATOM 1447 C PHE A 101 -6.150 -24.115 -3.167 1.00 0.00 C ATOM 1448 O PHE A 101 -5.294 -23.508 -2.524 1.00 0.00 O ATOM 1449 CB PHE A 101 -6.258 -24.548 -5.629 1.00 0.00 C ATOM 1450 CG PHE A 101 -7.197 -24.515 -6.801 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -8.492 -24.991 -6.681 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -6.784 -24.008 -8.022 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -9.358 -24.963 -7.758 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -7.645 -23.977 -9.103 1.00 0.00 C ATOM 1455 CZ PHE A 101 -8.934 -24.454 -8.970 1.00 0.00 C ATOM 0 H PHE A 101 -5.311 -22.243 -5.414 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.732 -23.502 -4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.252 -24.308 -5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -6.224 -25.561 -5.229 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.829 -25.389 -5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.777 -23.632 -8.131 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.365 -25.339 -7.652 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.310 -23.580 -10.050 1.00 0.00 H new ATOM 0 HZ PHE A 101 -9.610 -24.429 -9.812 1.00 0.00 H new ATOM 1465 N GLY A 102 -6.695 -25.254 -2.751 1.00 0.00 N ATOM 1466 CA GLY A 102 -6.297 -25.849 -1.489 1.00 0.00 C ATOM 1467 C GLY A 102 -6.922 -27.212 -1.268 1.00 0.00 C ATOM 1468 O GLY A 102 -7.446 -27.821 -2.201 1.00 0.00 O ATOM 0 H GLY A 102 -7.405 -25.775 -3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.211 -25.942 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.581 -25.186 -0.672 1.00 0.00 H new TER 1472 GLY A 102