USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 536 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 NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.18) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.201 K(o=-0.2,f=-0.96) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.9) USER MOD Single : A 13 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.5) USER MOD Single : A 23 MET CE :methyl -124:sc= -8.89! (180deg=-17.4!) USER MOD Single : A 43 GLN :FLIP amide:sc= -3.54! C(o=-4.9!,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0949 X(o=-0.095,f=-0.0013) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.237) USER MOD Single : A 68 TYR OH : rot -132:sc= 1.1 USER MOD Single : A 74 SER OG : rot 180:sc= -0.135 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -64.430 28.122 -20.057 1.00 54.10 N ATOM 2 CA GLY A 1 -64.112 29.305 -19.275 1.00 65.04 C ATOM 3 C GLY A 1 -64.714 30.567 -19.865 1.00 31.44 C ATOM 4 O GLY A 1 -65.851 30.925 -19.553 1.00 1.44 O ATOM 0 H1 GLY A 1 -63.997 27.286 -19.614 1.00 54.10 H new ATOM 0 H2 GLY A 1 -65.462 27.998 -20.095 1.00 54.10 H new ATOM 0 H3 GLY A 1 -64.059 28.234 -21.022 1.00 54.10 H new ATOM 0 HA2 GLY A 1 -64.477 29.173 -18.257 1.00 65.04 H new ATOM 0 HA3 GLY A 1 -63.029 29.416 -19.213 1.00 65.04 H new ATOM 8 N HIS A 2 -63.950 31.242 -20.716 1.00 43.42 N ATOM 9 CA HIS A 2 -64.414 32.472 -21.349 1.00 44.33 C ATOM 10 C HIS A 2 -63.700 32.703 -22.677 1.00 1.25 C ATOM 11 O HIS A 2 -62.579 32.234 -22.880 1.00 61.44 O ATOM 12 CB HIS A 2 -64.188 33.665 -20.420 1.00 10.43 C ATOM 13 CG HIS A 2 -64.802 34.937 -20.919 1.00 20.42 C ATOM 14 ND1 HIS A 2 -64.076 36.092 -21.127 1.00 64.52 N ATOM 15 CD2 HIS A 2 -66.080 35.232 -21.251 1.00 53.42 C ATOM 16 CE1 HIS A 2 -64.883 37.042 -21.566 1.00 11.45 C ATOM 17 NE2 HIS A 2 -66.103 36.546 -21.651 1.00 74.14 N ATOM 0 H HIS A 2 -63.007 30.959 -20.984 1.00 43.42 H new ATOM 0 HA HIS A 2 -65.482 32.371 -21.544 1.00 44.33 H new ATOM 0 HB2 HIS A 2 -64.600 33.433 -19.438 1.00 10.43 H new ATOM 0 HB3 HIS A 2 -63.116 33.815 -20.289 1.00 10.43 H new ATOM 0 HD2 HIS A 2 -66.924 34.560 -21.209 1.00 53.42 H new ATOM 0 HE1 HIS A 2 -64.593 38.053 -21.813 1.00 11.45 H new ATOM 0 HE2 HIS A 2 -66.929 37.056 -21.963 1.00 74.14 H new ATOM 25 N MET A 3 -64.354 33.428 -23.578 1.00 50.20 N ATOM 26 CA MET A 3 -63.780 33.721 -24.886 1.00 51.32 C ATOM 27 C MET A 3 -63.872 35.212 -25.199 1.00 73.31 C ATOM 28 O MET A 3 -64.931 35.822 -25.051 1.00 13.34 O ATOM 29 CB MET A 3 -64.494 32.915 -25.972 1.00 25.02 C ATOM 30 CG MET A 3 -65.918 33.374 -26.234 1.00 53.11 C ATOM 31 SD MET A 3 -67.064 31.998 -26.445 1.00 55.23 S ATOM 32 CE MET A 3 -67.943 32.512 -27.919 1.00 23.21 C ATOM 0 H MET A 3 -65.282 33.824 -23.426 1.00 50.20 H new ATOM 0 HA MET A 3 -62.728 33.437 -24.865 1.00 51.32 H new ATOM 0 HB2 MET A 3 -63.923 32.984 -26.898 1.00 25.02 H new ATOM 0 HB3 MET A 3 -64.507 31.864 -25.683 1.00 25.02 H new ATOM 0 HG2 MET A 3 -66.253 33.997 -25.405 1.00 53.11 H new ATOM 0 HG3 MET A 3 -65.936 33.997 -27.128 1.00 53.11 H new ATOM 0 HE1 MET A 3 -68.689 31.761 -28.178 1.00 23.21 H new ATOM 0 HE2 MET A 3 -68.437 33.466 -27.734 1.00 23.21 H new ATOM 0 HE3 MET A 3 -67.238 32.622 -28.743 1.00 23.21 H new ATOM 42 N GLY A 4 -62.759 35.792 -25.634 1.00 31.01 N ATOM 43 CA GLY A 4 -62.737 37.205 -25.960 1.00 51.35 C ATOM 44 C GLY A 4 -62.794 37.456 -27.454 1.00 71.22 C ATOM 45 O GLY A 4 -62.953 36.523 -28.240 1.00 42.21 O ATOM 0 H GLY A 4 -61.871 35.308 -25.767 1.00 31.01 H new ATOM 0 HA2 GLY A 4 -63.581 37.699 -25.479 1.00 51.35 H new ATOM 0 HA3 GLY A 4 -61.831 37.655 -25.553 1.00 51.35 H new ATOM 49 N GLU A 5 -62.669 38.720 -27.846 1.00 1.33 N ATOM 50 CA GLU A 5 -62.710 39.091 -29.255 1.00 25.24 C ATOM 51 C GLU A 5 -61.377 39.685 -29.702 1.00 33.43 C ATOM 52 O GLU A 5 -60.801 40.528 -29.013 1.00 64.32 O ATOM 53 CB GLU A 5 -63.838 40.092 -29.510 1.00 15.03 C ATOM 54 CG GLU A 5 -63.684 41.391 -28.737 1.00 2.34 C ATOM 55 CD GLU A 5 -64.688 42.446 -29.160 1.00 3.11 C ATOM 56 OE1 GLU A 5 -64.876 42.630 -30.380 1.00 4.34 O ATOM 57 OE2 GLU A 5 -65.288 43.084 -28.271 1.00 14.11 O ATOM 0 H GLU A 5 -62.538 39.504 -27.207 1.00 1.33 H new ATOM 0 HA GLU A 5 -62.898 38.188 -29.835 1.00 25.24 H new ATOM 0 HB2 GLU A 5 -63.880 40.316 -30.576 1.00 15.03 H new ATOM 0 HB3 GLU A 5 -64.789 39.631 -29.244 1.00 15.03 H new ATOM 0 HG2 GLU A 5 -63.800 41.191 -27.672 1.00 2.34 H new ATOM 0 HG3 GLU A 5 -62.675 41.777 -28.881 1.00 2.34 H new ATOM 64 N GLU A 6 -60.893 39.239 -30.857 1.00 54.52 N ATOM 65 CA GLU A 6 -59.628 39.727 -31.394 1.00 34.50 C ATOM 66 C GLU A 6 -59.866 40.724 -32.523 1.00 3.12 C ATOM 67 O GLU A 6 -58.962 41.012 -33.310 1.00 21.45 O ATOM 68 CB GLU A 6 -58.780 38.557 -31.900 1.00 74.35 C ATOM 69 CG GLU A 6 -58.470 37.523 -30.831 1.00 24.41 C ATOM 70 CD GLU A 6 -57.088 37.698 -30.233 1.00 73.11 C ATOM 71 OE1 GLU A 6 -56.622 38.853 -30.142 1.00 55.03 O ATOM 72 OE2 GLU A 6 -56.471 36.679 -29.857 1.00 43.40 O ATOM 0 H GLU A 6 -61.357 38.541 -31.438 1.00 54.52 H new ATOM 0 HA GLU A 6 -59.092 40.235 -30.592 1.00 34.50 H new ATOM 0 HB2 GLU A 6 -59.302 38.070 -32.724 1.00 74.35 H new ATOM 0 HB3 GLU A 6 -57.844 38.945 -32.301 1.00 74.35 H new ATOM 0 HG2 GLU A 6 -59.216 37.590 -30.039 1.00 24.41 H new ATOM 0 HG3 GLU A 6 -58.552 36.525 -31.262 1.00 24.41 H new ATOM 79 N GLN A 7 -61.084 41.248 -32.598 1.00 21.13 N ATOM 80 CA GLN A 7 -61.440 42.212 -33.632 1.00 74.21 C ATOM 81 C GLN A 7 -60.786 43.563 -33.362 1.00 43.01 C ATOM 82 O GLN A 7 -61.168 44.275 -32.435 1.00 30.44 O ATOM 83 CB GLN A 7 -62.959 42.373 -33.707 1.00 44.31 C ATOM 84 CG GLN A 7 -63.507 42.313 -35.126 1.00 14.14 C ATOM 85 CD GLN A 7 -62.696 43.146 -36.099 1.00 41.33 C ATOM 86 OE1 GLN A 7 -62.532 44.353 -35.916 1.00 34.43 O ATOM 87 NE2 GLN A 7 -62.184 42.505 -37.143 1.00 53.34 N ATOM 0 H GLN A 7 -61.842 41.021 -31.954 1.00 21.13 H new ATOM 0 HA GLN A 7 -61.075 41.836 -34.587 1.00 74.21 H new ATOM 0 HB2 GLN A 7 -63.429 41.591 -33.111 1.00 44.31 H new ATOM 0 HB3 GLN A 7 -63.238 43.326 -33.258 1.00 44.31 H new ATOM 0 HG2 GLN A 7 -63.520 41.277 -35.463 1.00 14.14 H new ATOM 0 HG3 GLN A 7 -64.540 42.661 -35.128 1.00 14.14 H new ATOM 0 HE21 GLN A 7 -62.345 41.504 -37.256 1.00 53.34 H new ATOM 0 HE22 GLN A 7 -61.630 43.014 -37.832 1.00 53.34 H new ATOM 96 N TYR A 8 -59.799 43.911 -34.181 1.00 65.42 N ATOM 97 CA TYR A 8 -59.090 45.176 -34.031 1.00 22.32 C ATOM 98 C TYR A 8 -58.505 45.635 -35.362 1.00 45.42 C ATOM 99 O TYR A 8 -58.379 44.849 -36.301 1.00 72.34 O ATOM 100 CB TYR A 8 -57.976 45.039 -32.992 1.00 11.22 C ATOM 101 CG TYR A 8 -56.930 44.010 -33.357 1.00 12.42 C ATOM 102 CD1 TYR A 8 -56.114 44.186 -34.470 1.00 73.22 C ATOM 103 CD2 TYR A 8 -56.756 42.864 -32.592 1.00 14.32 C ATOM 104 CE1 TYR A 8 -55.157 43.248 -34.808 1.00 75.34 C ATOM 105 CE2 TYR A 8 -55.801 41.924 -32.922 1.00 22.22 C ATOM 106 CZ TYR A 8 -55.004 42.119 -34.030 1.00 3.22 C ATOM 107 OH TYR A 8 -54.053 41.184 -34.364 1.00 4.12 O ATOM 0 H TYR A 8 -59.472 43.334 -34.956 1.00 65.42 H new ATOM 0 HA TYR A 8 -59.805 45.926 -33.692 1.00 22.32 H new ATOM 0 HB2 TYR A 8 -57.491 46.007 -32.862 1.00 11.22 H new ATOM 0 HB3 TYR A 8 -58.417 44.771 -32.032 1.00 11.22 H new ATOM 0 HD1 TYR A 8 -56.230 45.070 -35.080 1.00 73.22 H new ATOM 0 HD2 TYR A 8 -57.379 42.706 -31.724 1.00 14.32 H new ATOM 0 HE1 TYR A 8 -54.532 43.398 -35.676 1.00 75.34 H new ATOM 0 HE2 TYR A 8 -55.678 41.039 -32.315 1.00 22.22 H new ATOM 0 HH TYR A 8 -54.073 40.450 -33.715 1.00 4.12 H new ATOM 117 N ASN A 9 -58.148 46.913 -35.436 1.00 20.33 N ATOM 118 CA ASN A 9 -57.575 47.479 -36.652 1.00 71.42 C ATOM 119 C ASN A 9 -56.301 46.738 -37.048 1.00 11.42 C ATOM 120 O ASN A 9 -55.321 46.726 -36.302 1.00 1.41 O ATOM 121 CB ASN A 9 -57.276 48.966 -36.456 1.00 31.53 C ATOM 122 CG ASN A 9 -56.579 49.245 -35.139 1.00 11.53 C ATOM 123 OD1 ASN A 9 -57.225 49.417 -34.106 1.00 14.01 O ATOM 124 ND2 ASN A 9 -55.251 49.295 -35.171 1.00 52.33 N ATOM 0 H ASN A 9 -58.245 47.577 -34.668 1.00 20.33 H new ATOM 0 HA ASN A 9 -58.304 47.366 -37.455 1.00 71.42 H new ATOM 0 HB2 ASN A 9 -56.652 49.320 -37.277 1.00 31.53 H new ATOM 0 HB3 ASN A 9 -58.208 49.530 -36.498 1.00 31.53 H new ATOM 0 HD21 ASN A 9 -54.727 49.482 -34.316 1.00 52.33 H new ATOM 0 HD22 ASN A 9 -54.756 49.146 -36.050 1.00 52.33 H new ATOM 131 N ARG A 10 -56.321 46.124 -38.226 1.00 74.33 N ATOM 132 CA ARG A 10 -55.168 45.382 -38.721 1.00 51.51 C ATOM 133 C ARG A 10 -54.897 45.711 -40.187 1.00 74.40 C ATOM 134 O ARG A 10 -55.826 45.944 -40.962 1.00 44.31 O ATOM 135 CB ARG A 10 -55.394 43.878 -38.558 1.00 72.33 C ATOM 136 CG ARG A 10 -56.544 43.342 -39.396 1.00 24.04 C ATOM 137 CD ARG A 10 -56.233 41.958 -39.946 1.00 42.25 C ATOM 138 NE ARG A 10 -56.303 41.920 -41.404 1.00 15.01 N ATOM 139 CZ ARG A 10 -55.684 41.009 -42.146 1.00 42.31 C ATOM 140 NH1 ARG A 10 -54.955 40.064 -41.570 1.00 24.23 N ATOM 141 NH2 ARG A 10 -55.795 41.040 -43.469 1.00 54.02 N ATOM 0 H ARG A 10 -57.123 46.126 -38.856 1.00 74.33 H new ATOM 0 HA ARG A 10 -54.299 45.678 -38.134 1.00 51.51 H new ATOM 0 HB2 ARG A 10 -54.480 43.350 -38.830 1.00 72.33 H new ATOM 0 HB3 ARG A 10 -55.588 43.660 -37.508 1.00 72.33 H new ATOM 0 HG2 ARG A 10 -57.449 43.299 -38.790 1.00 24.04 H new ATOM 0 HG3 ARG A 10 -56.745 44.026 -40.221 1.00 24.04 H new ATOM 0 HD2 ARG A 10 -55.237 41.655 -39.623 1.00 42.25 H new ATOM 0 HD3 ARG A 10 -56.936 41.236 -39.530 1.00 42.25 H new ATOM 0 HE ARG A 10 -56.858 42.632 -41.879 1.00 15.01 H new ATOM 0 HH11 ARG A 10 -54.868 40.035 -40.554 1.00 24.23 H new ATOM 0 HH12 ARG A 10 -54.481 39.366 -42.143 1.00 24.23 H new ATOM 0 HH21 ARG A 10 -56.356 41.764 -43.917 1.00 54.02 H new ATOM 0 HH22 ARG A 10 -55.319 40.339 -44.037 1.00 54.02 H new ATOM 155 N TYR A 11 -53.623 45.730 -40.558 1.00 31.11 N ATOM 156 CA TYR A 11 -53.231 46.033 -41.930 1.00 13.31 C ATOM 157 C TYR A 11 -51.866 45.431 -42.250 1.00 43.23 C ATOM 158 O TYR A 11 -51.202 44.871 -41.380 1.00 32.53 O ATOM 159 CB TYR A 11 -53.198 47.546 -42.149 1.00 43.50 C ATOM 160 CG TYR A 11 -52.915 48.336 -40.890 1.00 64.40 C ATOM 161 CD1 TYR A 11 -53.904 48.536 -39.935 1.00 34.40 C ATOM 162 CD2 TYR A 11 -51.658 48.881 -40.657 1.00 20.32 C ATOM 163 CE1 TYR A 11 -53.649 49.256 -38.785 1.00 54.12 C ATOM 164 CE2 TYR A 11 -51.396 49.602 -39.508 1.00 3.11 C ATOM 165 CZ TYR A 11 -52.394 49.787 -38.575 1.00 41.33 C ATOM 166 OH TYR A 11 -52.137 50.505 -37.431 1.00 31.33 O ATOM 0 H TYR A 11 -52.843 45.539 -39.929 1.00 31.11 H new ATOM 0 HA TYR A 11 -53.969 45.592 -42.600 1.00 13.31 H new ATOM 0 HB2 TYR A 11 -52.437 47.780 -42.893 1.00 43.50 H new ATOM 0 HB3 TYR A 11 -54.155 47.866 -42.561 1.00 43.50 H new ATOM 0 HD1 TYR A 11 -54.888 48.121 -40.095 1.00 34.40 H new ATOM 0 HD2 TYR A 11 -50.874 48.739 -41.386 1.00 20.32 H new ATOM 0 HE1 TYR A 11 -54.429 49.403 -38.053 1.00 54.12 H new ATOM 0 HE2 TYR A 11 -50.414 50.019 -39.341 1.00 3.11 H new ATOM 0 HH TYR A 11 -51.205 50.808 -37.437 1.00 31.33 H new ATOM 176 N GLN A 12 -51.455 45.554 -43.509 1.00 41.14 N ATOM 177 CA GLN A 12 -50.169 45.023 -43.947 1.00 60.54 C ATOM 178 C GLN A 12 -49.034 45.568 -43.089 1.00 2.11 C ATOM 179 O GLN A 12 -48.791 46.774 -43.058 1.00 42.11 O ATOM 180 CB GLN A 12 -49.925 45.368 -45.418 1.00 34.34 C ATOM 181 CG GLN A 12 -50.145 44.197 -46.362 1.00 12.42 C ATOM 182 CD GLN A 12 -51.487 43.524 -46.155 1.00 2.33 C ATOM 183 OE1 GLN A 12 -51.630 42.647 -45.302 1.00 42.15 O ATOM 184 NE2 GLN A 12 -52.482 43.933 -46.935 1.00 32.35 N ATOM 0 H GLN A 12 -51.993 46.016 -44.242 1.00 41.14 H new ATOM 0 HA GLN A 12 -50.195 43.939 -43.835 1.00 60.54 H new ATOM 0 HB2 GLN A 12 -50.587 46.185 -45.706 1.00 34.34 H new ATOM 0 HB3 GLN A 12 -48.903 45.730 -45.533 1.00 34.34 H new ATOM 0 HG2 GLN A 12 -50.074 44.547 -47.392 1.00 12.42 H new ATOM 0 HG3 GLN A 12 -49.350 43.465 -46.218 1.00 12.42 H new ATOM 0 HE21 GLN A 12 -52.319 44.663 -47.629 1.00 32.35 H new ATOM 0 HE22 GLN A 12 -53.409 43.517 -46.840 1.00 32.35 H new ATOM 193 N GLN A 13 -48.342 44.672 -42.391 1.00 51.10 N ATOM 194 CA GLN A 13 -47.233 45.066 -41.532 1.00 34.31 C ATOM 195 C GLN A 13 -46.187 43.957 -41.450 1.00 20.01 C ATOM 196 O GLN A 13 -46.460 42.807 -41.794 1.00 71.02 O ATOM 197 CB GLN A 13 -47.742 45.404 -40.129 1.00 44.43 C ATOM 198 CG GLN A 13 -48.046 46.881 -39.934 1.00 0.22 C ATOM 199 CD GLN A 13 -47.220 47.506 -38.827 1.00 3.41 C ATOM 200 OE1 GLN A 13 -46.158 46.997 -38.466 1.00 62.42 O ATOM 201 NE2 GLN A 13 -47.703 48.616 -38.280 1.00 2.12 N ATOM 0 H GLN A 13 -48.530 43.670 -42.404 1.00 51.10 H new ATOM 0 HA GLN A 13 -46.767 45.951 -41.966 1.00 34.31 H new ATOM 0 HB2 GLN A 13 -48.644 44.826 -39.929 1.00 44.43 H new ATOM 0 HB3 GLN A 13 -46.997 45.095 -39.396 1.00 44.43 H new ATOM 0 HG2 GLN A 13 -47.858 47.413 -40.867 1.00 0.22 H new ATOM 0 HG3 GLN A 13 -49.105 47.003 -39.705 1.00 0.22 H new ATOM 0 HE21 GLN A 13 -48.587 49.004 -38.609 1.00 2.12 H new ATOM 0 HE22 GLN A 13 -47.190 49.080 -37.531 1.00 2.12 H new ATOM 210 N TYR A 14 -44.990 44.312 -40.995 1.00 62.24 N ATOM 211 CA TYR A 14 -43.903 43.348 -40.873 1.00 35.03 C ATOM 212 C TYR A 14 -43.537 43.123 -39.409 1.00 51.33 C ATOM 213 O TYR A 14 -43.197 44.063 -38.691 1.00 32.10 O ATOM 214 CB TYR A 14 -42.677 43.831 -41.649 1.00 15.14 C ATOM 215 CG TYR A 14 -41.700 42.727 -41.987 1.00 70.25 C ATOM 216 CD1 TYR A 14 -42.067 41.684 -42.830 1.00 42.02 C ATOM 217 CD2 TYR A 14 -40.413 42.725 -41.464 1.00 62.15 C ATOM 218 CE1 TYR A 14 -41.180 40.674 -43.142 1.00 23.43 C ATOM 219 CE2 TYR A 14 -39.519 41.719 -41.772 1.00 65.53 C ATOM 220 CZ TYR A 14 -39.907 40.695 -42.611 1.00 21.42 C ATOM 221 OH TYR A 14 -39.019 39.689 -42.920 1.00 22.01 O ATOM 0 H TYR A 14 -44.748 45.260 -40.705 1.00 62.24 H new ATOM 0 HA TYR A 14 -44.241 42.401 -41.294 1.00 35.03 H new ATOM 0 HB2 TYR A 14 -43.007 44.308 -42.572 1.00 15.14 H new ATOM 0 HB3 TYR A 14 -42.163 44.592 -41.062 1.00 15.14 H new ATOM 0 HD1 TYR A 14 -43.063 41.664 -43.248 1.00 42.02 H new ATOM 0 HD2 TYR A 14 -40.107 43.524 -40.805 1.00 62.15 H new ATOM 0 HE1 TYR A 14 -41.481 39.871 -43.799 1.00 23.43 H new ATOM 0 HE2 TYR A 14 -38.521 41.734 -41.358 1.00 65.53 H new ATOM 0 HH TYR A 14 -38.167 39.854 -42.465 1.00 22.01 H new ATOM 231 N GLY A 15 -43.611 41.870 -38.973 1.00 22.15 N ATOM 232 CA GLY A 15 -43.284 41.541 -37.598 1.00 21.11 C ATOM 233 C GLY A 15 -41.874 41.009 -37.448 1.00 23.30 C ATOM 234 O GLY A 15 -41.571 39.899 -37.886 1.00 72.43 O ATOM 0 H GLY A 15 -43.892 41.076 -39.548 1.00 22.15 H new ATOM 0 HA2 GLY A 15 -43.401 42.429 -36.978 1.00 21.11 H new ATOM 0 HA3 GLY A 15 -43.990 40.798 -37.228 1.00 21.11 H new ATOM 238 N ALA A 16 -41.006 41.803 -36.829 1.00 23.32 N ATOM 239 CA ALA A 16 -39.618 41.405 -36.622 1.00 64.44 C ATOM 240 C ALA A 16 -39.115 41.858 -35.257 1.00 51.02 C ATOM 241 O ALA A 16 -39.410 42.967 -34.813 1.00 43.14 O ATOM 242 CB ALA A 16 -38.737 41.971 -37.726 1.00 34.11 C ATOM 0 H ALA A 16 -41.239 42.726 -36.462 1.00 23.32 H new ATOM 0 HA ALA A 16 -39.569 40.317 -36.655 1.00 64.44 H new ATOM 0 HB1 ALA A 16 -37.704 41.666 -37.559 1.00 34.11 H new ATOM 0 HB2 ALA A 16 -39.075 41.594 -38.691 1.00 34.11 H new ATOM 0 HB3 ALA A 16 -38.800 43.059 -37.720 1.00 34.11 H new ATOM 248 N GLU A 17 -38.354 40.992 -34.594 1.00 64.33 N ATOM 249 CA GLU A 17 -37.813 41.304 -33.278 1.00 32.44 C ATOM 250 C GLU A 17 -36.302 41.519 -33.347 1.00 74.55 C ATOM 251 O GLU A 17 -35.564 40.650 -33.810 1.00 53.51 O ATOM 252 CB GLU A 17 -38.133 40.180 -32.289 1.00 74.34 C ATOM 253 CG GLU A 17 -39.260 40.519 -31.327 1.00 41.31 C ATOM 254 CD GLU A 17 -40.594 40.691 -32.029 1.00 5.34 C ATOM 255 OE1 GLU A 17 -40.820 41.767 -32.619 1.00 44.15 O ATOM 256 OE2 GLU A 17 -41.412 39.747 -31.987 1.00 55.14 O ATOM 0 H GLU A 17 -38.099 40.070 -34.947 1.00 64.33 H new ATOM 0 HA GLU A 17 -38.280 42.226 -32.932 1.00 32.44 H new ATOM 0 HB2 GLU A 17 -38.400 39.282 -32.846 1.00 74.34 H new ATOM 0 HB3 GLU A 17 -37.236 39.945 -31.716 1.00 74.34 H new ATOM 0 HG2 GLU A 17 -39.346 39.729 -30.581 1.00 41.31 H new ATOM 0 HG3 GLU A 17 -39.013 41.437 -30.793 1.00 41.31 H new ATOM 263 N GLU A 18 -35.854 42.680 -32.884 1.00 13.24 N ATOM 264 CA GLU A 18 -34.434 43.009 -32.896 1.00 41.43 C ATOM 265 C GLU A 18 -33.634 41.994 -32.083 1.00 43.24 C ATOM 266 O GLU A 18 -33.845 41.842 -30.880 1.00 10.31 O ATOM 267 CB GLU A 18 -34.209 44.417 -32.338 1.00 5.22 C ATOM 268 CG GLU A 18 -34.706 44.593 -30.914 1.00 64.10 C ATOM 269 CD GLU A 18 -35.773 45.665 -30.797 1.00 61.22 C ATOM 270 OE1 GLU A 18 -35.458 46.845 -31.056 1.00 42.21 O ATOM 271 OE2 GLU A 18 -36.921 45.323 -30.446 1.00 2.04 O ATOM 0 H GLU A 18 -36.453 43.409 -32.496 1.00 13.24 H new ATOM 0 HA GLU A 18 -34.088 42.976 -33.929 1.00 41.43 H new ATOM 0 HB2 GLU A 18 -33.144 44.647 -32.373 1.00 5.22 H new ATOM 0 HB3 GLU A 18 -34.712 45.139 -32.981 1.00 5.22 H new ATOM 0 HG2 GLU A 18 -35.107 43.646 -30.553 1.00 64.10 H new ATOM 0 HG3 GLU A 18 -33.866 44.850 -30.269 1.00 64.10 H new ATOM 278 N CYS A 19 -32.716 41.304 -32.751 1.00 51.21 N ATOM 279 CA CYS A 19 -31.885 40.302 -32.092 1.00 2.25 C ATOM 280 C CYS A 19 -30.597 40.926 -31.564 1.00 53.55 C ATOM 281 O CYS A 19 -29.880 41.609 -32.295 1.00 24.24 O ATOM 282 CB CYS A 19 -31.554 39.166 -33.061 1.00 44.33 C ATOM 283 SG CYS A 19 -31.809 37.513 -32.375 1.00 43.23 S ATOM 0 H CYS A 19 -32.528 41.420 -33.747 1.00 51.21 H new ATOM 0 HA CYS A 19 -32.446 39.899 -31.248 1.00 2.25 H new ATOM 0 HB2 CYS A 19 -32.168 39.275 -33.955 1.00 44.33 H new ATOM 0 HB3 CYS A 19 -30.514 39.261 -33.374 1.00 44.33 H new ATOM 0 HG CYS A 19 -31.505 36.620 -33.270 1.00 43.23 H new ATOM 289 N VAL A 20 -30.312 40.690 -30.286 1.00 73.35 N ATOM 290 CA VAL A 20 -29.112 41.229 -29.658 1.00 2.42 C ATOM 291 C VAL A 20 -28.776 42.610 -30.212 1.00 22.31 C ATOM 292 O VAL A 20 -27.606 42.987 -30.299 1.00 52.35 O ATOM 293 CB VAL A 20 -27.904 40.297 -29.864 1.00 64.14 C ATOM 294 CG1 VAL A 20 -28.251 38.874 -29.453 1.00 51.51 C ATOM 295 CG2 VAL A 20 -27.436 40.344 -31.311 1.00 63.12 C ATOM 0 H VAL A 20 -30.896 40.129 -29.666 1.00 73.35 H new ATOM 0 HA VAL A 20 -29.321 41.309 -28.591 1.00 2.42 H new ATOM 0 HB VAL A 20 -27.087 40.643 -29.231 1.00 64.14 H new ATOM 0 HG11 VAL A 20 -27.385 38.230 -29.606 1.00 51.51 H new ATOM 0 HG12 VAL A 20 -28.534 38.858 -28.401 1.00 51.51 H new ATOM 0 HG13 VAL A 20 -29.083 38.513 -30.058 1.00 51.51 H new ATOM 0 HG21 VAL A 20 -26.582 39.679 -31.439 1.00 63.12 H new ATOM 0 HG22 VAL A 20 -28.246 40.023 -31.966 1.00 63.12 H new ATOM 0 HG23 VAL A 20 -27.145 41.363 -31.566 1.00 63.12 H new ATOM 305 N LEU A 21 -29.807 43.360 -30.584 1.00 32.42 N ATOM 306 CA LEU A 21 -29.621 44.700 -31.128 1.00 63.35 C ATOM 307 C LEU A 21 -29.858 45.761 -30.058 1.00 33.54 C ATOM 308 O LEU A 21 -30.866 45.728 -29.352 1.00 20.13 O ATOM 309 CB LEU A 21 -30.570 44.928 -32.307 1.00 23.14 C ATOM 310 CG LEU A 21 -29.930 45.465 -33.589 1.00 74.44 C ATOM 311 CD1 LEU A 21 -30.163 44.503 -34.743 1.00 45.21 C ATOM 312 CD2 LEU A 21 -30.480 46.844 -33.922 1.00 21.11 C ATOM 0 H LEU A 21 -30.781 43.063 -30.519 1.00 32.42 H new ATOM 0 HA LEU A 21 -28.591 44.785 -31.475 1.00 63.35 H new ATOM 0 HB2 LEU A 21 -31.063 43.984 -32.539 1.00 23.14 H new ATOM 0 HB3 LEU A 21 -31.347 45.625 -31.993 1.00 23.14 H new ATOM 0 HG LEU A 21 -28.856 45.554 -33.428 1.00 74.44 H new ATOM 0 HD11 LEU A 21 -29.701 44.900 -35.647 1.00 45.21 H new ATOM 0 HD12 LEU A 21 -29.721 43.535 -34.505 1.00 45.21 H new ATOM 0 HD13 LEU A 21 -31.234 44.382 -34.906 1.00 45.21 H new ATOM 0 HD21 LEU A 21 -30.014 47.211 -34.837 1.00 21.11 H new ATOM 0 HD22 LEU A 21 -31.559 46.781 -34.065 1.00 21.11 H new ATOM 0 HD23 LEU A 21 -30.262 47.530 -33.104 1.00 21.11 H new ATOM 324 N GLN A 22 -28.924 46.699 -29.946 1.00 15.23 N ATOM 325 CA GLN A 22 -29.033 47.770 -28.962 1.00 4.45 C ATOM 326 C GLN A 22 -30.191 48.703 -29.299 1.00 14.24 C ATOM 327 O GLN A 22 -30.776 48.618 -30.378 1.00 23.42 O ATOM 328 CB GLN A 22 -27.726 48.564 -28.896 1.00 34.24 C ATOM 329 CG GLN A 22 -26.608 47.836 -28.168 1.00 24.52 C ATOM 330 CD GLN A 22 -25.864 46.864 -29.064 1.00 35.40 C ATOM 331 OE1 GLN A 22 -26.343 45.763 -29.336 1.00 3.13 O ATOM 332 NE2 GLN A 22 -24.687 47.268 -29.525 1.00 45.45 N ATOM 0 H GLN A 22 -28.084 46.740 -30.523 1.00 15.23 H new ATOM 0 HA GLN A 22 -29.226 47.318 -27.989 1.00 4.45 H new ATOM 0 HB2 GLN A 22 -27.399 48.794 -29.910 1.00 34.24 H new ATOM 0 HB3 GLN A 22 -27.913 49.515 -28.398 1.00 34.24 H new ATOM 0 HG2 GLN A 22 -25.905 48.566 -27.767 1.00 24.52 H new ATOM 0 HG3 GLN A 22 -27.025 47.295 -27.318 1.00 24.52 H new ATOM 0 HE21 GLN A 22 -24.330 48.189 -29.273 1.00 45.45 H new ATOM 0 HE22 GLN A 22 -24.140 46.657 -30.131 1.00 45.45 H new ATOM 341 N MET A 23 -30.517 49.593 -28.366 1.00 44.12 N ATOM 342 CA MET A 23 -31.606 50.542 -28.565 1.00 2.10 C ATOM 343 C MET A 23 -31.075 51.878 -29.077 1.00 62.42 C ATOM 344 O MET A 23 -31.848 52.781 -29.399 1.00 12.04 O ATOM 345 CB MET A 23 -32.372 50.752 -27.258 1.00 74.14 C ATOM 346 CG MET A 23 -33.581 51.664 -27.401 1.00 25.22 C ATOM 347 SD MET A 23 -33.193 53.389 -27.047 1.00 40.23 S ATOM 348 CE MET A 23 -33.840 54.190 -28.513 1.00 24.34 C ATOM 0 H MET A 23 -30.043 49.676 -27.467 1.00 44.12 H new ATOM 0 HA MET A 23 -32.283 50.129 -29.313 1.00 2.10 H new ATOM 0 HB2 MET A 23 -32.700 49.784 -26.879 1.00 74.14 H new ATOM 0 HB3 MET A 23 -31.696 51.173 -26.514 1.00 74.14 H new ATOM 0 HG2 MET A 23 -33.974 51.584 -28.415 1.00 25.22 H new ATOM 0 HG3 MET A 23 -34.368 51.327 -26.727 1.00 25.22 H new ATOM 0 HE1 MET A 23 -33.050 54.772 -28.988 1.00 24.34 H new ATOM 0 HE2 MET A 23 -34.204 53.435 -29.210 1.00 24.34 H new ATOM 0 HE3 MET A 23 -34.660 54.852 -28.234 1.00 24.34 H new ATOM 358 N GLY A 24 -29.753 51.997 -29.151 1.00 33.44 N ATOM 359 CA GLY A 24 -29.145 53.225 -29.624 1.00 12.33 C ATOM 360 C GLY A 24 -30.012 53.952 -30.631 1.00 32.02 C ATOM 361 O GLY A 24 -30.371 53.396 -31.668 1.00 54.20 O ATOM 0 H GLY A 24 -29.093 51.264 -28.892 1.00 33.44 H new ATOM 0 HA2 GLY A 24 -28.952 53.881 -28.775 1.00 12.33 H new ATOM 0 HA3 GLY A 24 -28.180 52.998 -30.077 1.00 12.33 H new ATOM 365 N GLY A 25 -30.352 55.201 -30.326 1.00 2.35 N ATOM 366 CA GLY A 25 -31.183 55.985 -31.222 1.00 25.55 C ATOM 367 C GLY A 25 -32.476 56.433 -30.571 1.00 32.34 C ATOM 368 O GLY A 25 -33.558 56.232 -31.121 1.00 32.21 O ATOM 0 H GLY A 25 -30.067 55.684 -29.474 1.00 2.35 H new ATOM 0 HA2 GLY A 25 -30.626 56.860 -31.556 1.00 25.55 H new ATOM 0 HA3 GLY A 25 -31.412 55.395 -32.109 1.00 25.55 H new ATOM 372 N VAL A 26 -32.363 57.041 -29.394 1.00 72.43 N ATOM 373 CA VAL A 26 -33.533 57.518 -28.665 1.00 64.35 C ATOM 374 C VAL A 26 -33.626 59.039 -28.711 1.00 15.45 C ATOM 375 O VAL A 26 -32.608 59.732 -28.762 1.00 73.11 O ATOM 376 CB VAL A 26 -33.505 57.059 -27.196 1.00 72.13 C ATOM 377 CG1 VAL A 26 -32.556 57.928 -26.383 1.00 44.13 C ATOM 378 CG2 VAL A 26 -34.907 57.087 -26.603 1.00 22.25 C ATOM 0 H VAL A 26 -31.474 57.215 -28.925 1.00 72.43 H new ATOM 0 HA VAL A 26 -34.408 57.089 -29.154 1.00 64.35 H new ATOM 0 HB VAL A 26 -33.140 56.033 -27.160 1.00 72.13 H new ATOM 0 HG11 VAL A 26 -32.549 57.589 -25.347 1.00 44.13 H new ATOM 0 HG12 VAL A 26 -31.550 57.853 -26.796 1.00 44.13 H new ATOM 0 HG13 VAL A 26 -32.888 58.965 -26.423 1.00 44.13 H new ATOM 0 HG21 VAL A 26 -34.869 56.760 -25.564 1.00 22.25 H new ATOM 0 HG22 VAL A 26 -35.302 58.102 -26.650 1.00 22.25 H new ATOM 0 HG23 VAL A 26 -35.555 56.419 -27.170 1.00 22.25 H new ATOM 388 N LEU A 27 -34.850 59.553 -28.691 1.00 42.13 N ATOM 389 CA LEU A 27 -35.076 60.993 -28.731 1.00 74.23 C ATOM 390 C LEU A 27 -36.295 61.376 -27.898 1.00 74.35 C ATOM 391 O LEU A 27 -37.219 60.572 -27.777 1.00 24.35 O ATOM 392 CB LEU A 27 -35.263 61.462 -30.173 1.00 40.31 C ATOM 393 CG LEU A 27 -36.138 60.575 -31.060 1.00 71.03 C ATOM 394 CD1 LEU A 27 -37.588 61.033 -31.007 1.00 73.24 C ATOM 395 CD2 LEU A 27 -35.628 60.581 -32.493 1.00 21.50 C ATOM 0 H LEU A 27 -35.702 58.994 -28.647 1.00 42.13 H new ATOM 0 HA LEU A 27 -34.200 61.484 -28.308 1.00 74.23 H new ATOM 0 HB2 LEU A 27 -35.695 62.462 -30.155 1.00 40.31 H new ATOM 0 HB3 LEU A 27 -34.280 61.548 -30.636 1.00 40.31 H new ATOM 0 HG LEU A 27 -36.085 59.554 -30.682 1.00 71.03 H new ATOM 0 HD11 LEU A 27 -38.196 60.391 -31.644 1.00 73.24 H new ATOM 0 HD12 LEU A 27 -37.951 60.975 -29.981 1.00 73.24 H new ATOM 0 HD13 LEU A 27 -37.657 62.063 -31.358 1.00 73.24 H new ATOM 0 HD21 LEU A 27 -36.264 59.944 -33.108 1.00 21.50 H new ATOM 0 HD22 LEU A 27 -35.649 61.599 -32.882 1.00 21.50 H new ATOM 0 HD23 LEU A 27 -34.605 60.204 -32.517 1.00 21.50 H new ATOM 407 N CYS A 28 -36.273 62.581 -27.347 1.00 22.12 N ATOM 408 CA CYS A 28 -37.382 63.053 -26.535 1.00 21.34 C ATOM 409 C CYS A 28 -38.597 63.243 -27.445 1.00 53.32 C ATOM 410 O CYS A 28 -38.589 63.994 -28.419 1.00 75.33 O ATOM 411 CB CYS A 28 -37.026 64.336 -25.783 1.00 0.42 C ATOM 412 SG CYS A 28 -37.538 64.200 -24.031 1.00 23.11 S ATOM 0 H CYS A 28 -35.505 63.245 -27.447 1.00 22.12 H new ATOM 0 HA CYS A 28 -37.616 62.314 -25.769 1.00 21.34 H new ATOM 0 HB2 CYS A 28 -35.953 64.516 -25.843 1.00 0.42 H new ATOM 0 HB3 CYS A 28 -37.519 65.189 -26.249 1.00 0.42 H new ATOM 417 N PRO A 29 -39.678 62.527 -27.101 1.00 54.34 N ATOM 418 CA PRO A 29 -40.935 62.581 -27.855 1.00 12.25 C ATOM 419 C PRO A 29 -41.649 63.919 -27.697 1.00 14.14 C ATOM 420 O PRO A 29 -42.491 64.285 -28.516 1.00 51.04 O ATOM 421 CB PRO A 29 -41.767 61.455 -27.238 1.00 60.44 C ATOM 422 CG PRO A 29 -41.226 61.294 -25.860 1.00 13.10 C ATOM 423 CD PRO A 29 -39.759 61.610 -25.952 1.00 22.13 C ATOM 0 HA PRO A 29 -40.772 62.471 -28.927 1.00 12.25 H new ATOM 0 HB2 PRO A 29 -42.827 61.710 -27.220 1.00 60.44 H new ATOM 0 HB3 PRO A 29 -41.671 60.533 -27.811 1.00 60.44 H new ATOM 0 HG2 PRO A 29 -41.727 61.966 -25.163 1.00 13.10 H new ATOM 0 HG3 PRO A 29 -41.385 60.279 -25.494 1.00 13.10 H new ATOM 0 HD2 PRO A 29 -39.391 62.077 -25.039 1.00 22.13 H new ATOM 0 HD3 PRO A 29 -39.164 60.711 -26.113 1.00 22.13 H new ATOM 431 N ARG A 30 -41.307 64.645 -26.637 1.00 44.25 N ATOM 432 CA ARG A 30 -41.917 65.942 -26.372 1.00 32.03 C ATOM 433 C ARG A 30 -41.828 66.846 -27.597 1.00 43.23 C ATOM 434 O ARG A 30 -40.808 66.905 -28.284 1.00 22.21 O ATOM 435 CB ARG A 30 -41.235 66.615 -25.179 1.00 13.44 C ATOM 436 CG ARG A 30 -41.818 66.209 -23.835 1.00 24.10 C ATOM 437 CD ARG A 30 -41.324 64.835 -23.408 1.00 44.12 C ATOM 438 NE ARG A 30 -41.703 64.521 -22.032 1.00 25.13 N ATOM 439 CZ ARG A 30 -41.820 63.283 -21.567 1.00 12.20 C ATOM 440 NH1 ARG A 30 -41.591 62.247 -22.362 1.00 11.12 N ATOM 441 NH2 ARG A 30 -42.169 63.078 -20.303 1.00 63.11 N ATOM 0 H ARG A 30 -40.611 64.357 -25.949 1.00 44.25 H new ATOM 0 HA ARG A 30 -42.969 65.779 -26.138 1.00 32.03 H new ATOM 0 HB2 ARG A 30 -40.173 66.371 -25.193 1.00 13.44 H new ATOM 0 HB3 ARG A 30 -41.315 67.697 -25.288 1.00 13.44 H new ATOM 0 HG2 ARG A 30 -41.544 66.946 -23.080 1.00 24.10 H new ATOM 0 HG3 ARG A 30 -42.906 66.203 -23.895 1.00 24.10 H new ATOM 0 HD2 ARG A 30 -41.732 64.078 -24.078 1.00 44.12 H new ATOM 0 HD3 ARG A 30 -40.239 64.794 -23.504 1.00 44.12 H new ATOM 0 HE ARG A 30 -41.888 65.295 -21.394 1.00 25.13 H new ATOM 0 HH11 ARG A 30 -41.324 62.400 -23.334 1.00 11.12 H new ATOM 0 HH12 ARG A 30 -41.682 61.297 -22.001 1.00 11.12 H new ATOM 0 HH21 ARG A 30 -42.348 63.872 -19.688 1.00 63.11 H new ATOM 0 HH22 ARG A 30 -42.259 62.127 -19.947 1.00 63.11 H new ATOM 455 N PRO A 31 -42.922 67.568 -27.881 1.00 41.05 N ATOM 456 CA PRO A 31 -42.994 68.482 -29.025 1.00 61.41 C ATOM 457 C PRO A 31 -42.111 69.712 -28.840 1.00 3.21 C ATOM 458 O PRO A 31 -42.583 70.773 -28.436 1.00 43.12 O ATOM 459 CB PRO A 31 -44.469 68.886 -29.066 1.00 70.22 C ATOM 460 CG PRO A 31 -44.949 68.709 -27.667 1.00 42.30 C ATOM 461 CD PRO A 31 -44.174 67.548 -27.106 1.00 42.53 C ATOM 0 HA PRO A 31 -42.641 68.013 -29.943 1.00 61.41 H new ATOM 0 HB2 PRO A 31 -44.588 69.917 -29.398 1.00 70.22 H new ATOM 0 HB3 PRO A 31 -45.032 68.261 -29.760 1.00 70.22 H new ATOM 0 HG2 PRO A 31 -44.780 69.611 -27.079 1.00 42.30 H new ATOM 0 HG3 PRO A 31 -46.020 68.510 -27.644 1.00 42.30 H new ATOM 0 HD2 PRO A 31 -43.988 67.667 -26.039 1.00 42.53 H new ATOM 0 HD3 PRO A 31 -44.710 66.608 -27.233 1.00 42.53 H new ATOM 469 N GLY A 32 -40.824 69.560 -29.140 1.00 40.32 N ATOM 470 CA GLY A 32 -39.895 70.668 -29.002 1.00 62.21 C ATOM 471 C GLY A 32 -38.557 70.234 -28.436 1.00 13.02 C ATOM 472 O GLY A 32 -37.525 70.668 -28.943 1.00 12.04 O ATOM 0 H GLY A 32 -40.408 68.691 -29.476 1.00 40.32 H new ATOM 0 HA2 GLY A 32 -39.741 71.133 -29.976 1.00 62.21 H new ATOM 0 HA3 GLY A 32 -40.332 71.426 -28.353 1.00 62.21 H new ATOM 476 N CYS A 33 -38.595 69.398 -27.409 1.00 54.11 N ATOM 477 CA CYS A 33 -37.373 68.920 -26.788 1.00 70.21 C ATOM 478 C CYS A 33 -36.578 68.135 -27.834 1.00 35.23 C ATOM 479 O CYS A 33 -35.520 68.553 -28.299 1.00 10.15 O ATOM 480 CB CYS A 33 -37.662 68.079 -25.543 1.00 14.23 C ATOM 481 SG CYS A 33 -36.096 67.649 -24.700 1.00 31.01 S ATOM 0 H CYS A 33 -39.454 69.040 -26.992 1.00 54.11 H new ATOM 0 HA CYS A 33 -36.782 69.768 -26.444 1.00 70.21 H new ATOM 0 HB2 CYS A 33 -38.310 68.632 -24.863 1.00 14.23 H new ATOM 0 HB3 CYS A 33 -38.195 67.170 -25.824 1.00 14.23 H new ATOM 486 N GLY A 34 -37.119 66.974 -28.195 1.00 5.43 N ATOM 487 CA GLY A 34 -36.468 66.128 -29.180 1.00 33.41 C ATOM 488 C GLY A 34 -35.284 65.376 -28.606 1.00 71.33 C ATOM 489 O GLY A 34 -35.105 64.189 -28.875 1.00 44.15 O ATOM 0 H GLY A 34 -37.994 66.605 -27.824 1.00 5.43 H new ATOM 0 HA2 GLY A 34 -37.191 65.414 -29.576 1.00 33.41 H new ATOM 0 HA3 GLY A 34 -36.134 66.741 -30.017 1.00 33.41 H new ATOM 493 N ALA A 35 -34.472 66.069 -27.813 1.00 62.22 N ATOM 494 CA ALA A 35 -33.299 65.459 -27.200 1.00 65.21 C ATOM 495 C ALA A 35 -32.754 64.328 -28.065 1.00 31.55 C ATOM 496 O ALA A 35 -32.407 63.259 -27.561 1.00 52.44 O ATOM 497 CB ALA A 35 -33.638 64.945 -25.808 1.00 12.44 C ATOM 0 H ALA A 35 -34.606 67.053 -27.581 1.00 62.22 H new ATOM 0 HA ALA A 35 -32.525 66.222 -27.115 1.00 65.21 H new ATOM 0 HB1 ALA A 35 -32.753 64.492 -25.362 1.00 12.44 H new ATOM 0 HB2 ALA A 35 -33.974 65.774 -25.186 1.00 12.44 H new ATOM 0 HB3 ALA A 35 -34.431 64.200 -25.878 1.00 12.44 H new ATOM 503 N GLY A 36 -32.681 64.568 -29.371 1.00 4.21 N ATOM 504 CA GLY A 36 -32.177 63.560 -30.284 1.00 23.52 C ATOM 505 C GLY A 36 -30.690 63.323 -30.122 1.00 23.44 C ATOM 506 O GLY A 36 -29.903 63.638 -31.015 1.00 23.13 O ATOM 0 H GLY A 36 -32.962 65.443 -29.813 1.00 4.21 H new ATOM 0 HA2 GLY A 36 -32.711 62.624 -30.118 1.00 23.52 H new ATOM 0 HA3 GLY A 36 -32.383 63.867 -31.309 1.00 23.52 H new ATOM 510 N LEU A 37 -30.302 62.766 -28.980 1.00 4.45 N ATOM 511 CA LEU A 37 -28.897 62.487 -28.704 1.00 21.15 C ATOM 512 C LEU A 37 -28.657 60.989 -28.555 1.00 32.42 C ATOM 513 O LEU A 37 -29.597 60.215 -28.365 1.00 31.12 O ATOM 514 CB LEU A 37 -28.453 63.215 -27.432 1.00 5.52 C ATOM 515 CG LEU A 37 -29.502 63.334 -26.327 1.00 32.42 C ATOM 516 CD1 LEU A 37 -29.771 61.976 -25.697 1.00 0.34 C ATOM 517 CD2 LEU A 37 -29.052 64.334 -25.271 1.00 43.22 C ATOM 0 H LEU A 37 -30.940 62.499 -28.231 1.00 4.45 H new ATOM 0 HA LEU A 37 -28.308 62.848 -29.548 1.00 21.15 H new ATOM 0 HB2 LEU A 37 -27.584 62.698 -27.026 1.00 5.52 H new ATOM 0 HB3 LEU A 37 -28.128 64.219 -27.706 1.00 5.52 H new ATOM 0 HG LEU A 37 -30.430 63.696 -26.770 1.00 32.42 H new ATOM 0 HD11 LEU A 37 -30.520 62.081 -24.912 1.00 0.34 H new ATOM 0 HD12 LEU A 37 -30.137 61.288 -26.459 1.00 0.34 H new ATOM 0 HD13 LEU A 37 -28.849 61.585 -25.268 1.00 0.34 H new ATOM 0 HD21 LEU A 37 -29.811 64.406 -24.492 1.00 43.22 H new ATOM 0 HD22 LEU A 37 -28.112 64.001 -24.832 1.00 43.22 H new ATOM 0 HD23 LEU A 37 -28.911 65.312 -25.732 1.00 43.22 H new ATOM 529 N LEU A 38 -27.394 60.585 -28.638 1.00 53.23 N ATOM 530 CA LEU A 38 -27.031 59.177 -28.510 1.00 43.31 C ATOM 531 C LEU A 38 -26.693 58.832 -27.064 1.00 11.52 C ATOM 532 O LEU A 38 -25.719 59.327 -26.494 1.00 71.41 O ATOM 533 CB LEU A 38 -25.841 58.855 -29.416 1.00 62.32 C ATOM 534 CG LEU A 38 -25.827 57.453 -30.029 1.00 3.54 C ATOM 535 CD1 LEU A 38 -25.760 56.394 -28.941 1.00 53.23 C ATOM 536 CD2 LEU A 38 -27.052 57.242 -30.907 1.00 10.12 C ATOM 0 H LEU A 38 -26.604 61.212 -28.793 1.00 53.23 H new ATOM 0 HA LEU A 38 -27.887 58.575 -28.816 1.00 43.31 H new ATOM 0 HB2 LEU A 38 -25.818 59.585 -30.226 1.00 62.32 H new ATOM 0 HB3 LEU A 38 -24.925 58.988 -28.841 1.00 62.32 H new ATOM 0 HG LEU A 38 -24.938 57.360 -30.652 1.00 3.54 H new ATOM 0 HD11 LEU A 38 -25.751 55.404 -29.397 1.00 53.23 H new ATOM 0 HD12 LEU A 38 -24.852 56.532 -28.355 1.00 53.23 H new ATOM 0 HD13 LEU A 38 -26.629 56.486 -28.290 1.00 53.23 H new ATOM 0 HD21 LEU A 38 -27.025 56.240 -31.334 1.00 10.12 H new ATOM 0 HD22 LEU A 38 -27.954 57.356 -30.306 1.00 10.12 H new ATOM 0 HD23 LEU A 38 -27.055 57.979 -31.710 1.00 10.12 H new ATOM 548 N PRO A 39 -27.512 57.962 -26.456 1.00 15.35 N ATOM 549 CA PRO A 39 -27.318 57.528 -25.069 1.00 54.23 C ATOM 550 C PRO A 39 -26.091 56.638 -24.906 1.00 42.31 C ATOM 551 O PRO A 39 -25.722 55.902 -25.821 1.00 20.22 O ATOM 552 CB PRO A 39 -28.595 56.743 -24.761 1.00 44.11 C ATOM 553 CG PRO A 39 -29.076 56.267 -26.088 1.00 64.11 C ATOM 554 CD PRO A 39 -28.692 57.334 -27.075 1.00 1.55 C ATOM 0 HA PRO A 39 -27.148 58.370 -24.398 1.00 54.23 H new ATOM 0 HB2 PRO A 39 -28.394 55.908 -24.090 1.00 44.11 H new ATOM 0 HB3 PRO A 39 -29.339 57.373 -24.273 1.00 44.11 H new ATOM 0 HG2 PRO A 39 -28.620 55.312 -26.349 1.00 64.11 H new ATOM 0 HG3 PRO A 39 -30.155 56.113 -26.080 1.00 64.11 H new ATOM 0 HD2 PRO A 39 -28.457 56.912 -28.052 1.00 1.55 H new ATOM 0 HD3 PRO A 39 -29.498 58.053 -27.224 1.00 1.55 H new ATOM 562 N GLU A 40 -25.465 56.709 -23.736 1.00 1.14 N ATOM 563 CA GLU A 40 -24.279 55.907 -23.455 1.00 11.12 C ATOM 564 C GLU A 40 -24.551 54.427 -23.704 1.00 61.44 C ATOM 565 O GLU A 40 -25.697 53.993 -23.829 1.00 34.34 O ATOM 566 CB GLU A 40 -23.825 56.119 -22.010 1.00 33.20 C ATOM 567 CG GLU A 40 -22.674 57.101 -21.870 1.00 4.24 C ATOM 568 CD GLU A 40 -22.090 57.119 -20.471 1.00 14.15 C ATOM 569 OE1 GLU A 40 -22.873 57.184 -19.501 1.00 12.41 O ATOM 570 OE2 GLU A 40 -20.848 57.068 -20.347 1.00 20.33 O ATOM 0 H GLU A 40 -25.758 57.313 -22.968 1.00 1.14 H new ATOM 0 HA GLU A 40 -23.485 56.230 -24.129 1.00 11.12 H new ATOM 0 HB2 GLU A 40 -24.670 56.477 -21.422 1.00 33.20 H new ATOM 0 HB3 GLU A 40 -23.526 55.160 -21.588 1.00 33.20 H new ATOM 0 HG2 GLU A 40 -21.891 56.842 -22.583 1.00 4.24 H new ATOM 0 HG3 GLU A 40 -23.021 58.102 -22.128 1.00 4.24 H new ATOM 577 N PRO A 41 -23.474 53.632 -23.778 1.00 31.12 N ATOM 578 CA PRO A 41 -23.571 52.188 -24.013 1.00 12.14 C ATOM 579 C PRO A 41 -24.157 51.445 -22.818 1.00 20.13 C ATOM 580 O PRO A 41 -24.295 50.222 -22.842 1.00 62.23 O ATOM 581 CB PRO A 41 -22.117 51.768 -24.241 1.00 3.42 C ATOM 582 CG PRO A 41 -21.308 52.795 -23.526 1.00 25.22 C ATOM 583 CD PRO A 41 -22.079 54.081 -23.639 1.00 11.13 C ATOM 0 HA PRO A 41 -24.233 51.954 -24.847 1.00 12.14 H new ATOM 0 HB2 PRO A 41 -21.927 50.770 -23.847 1.00 3.42 H new ATOM 0 HB3 PRO A 41 -21.874 51.742 -25.303 1.00 3.42 H new ATOM 0 HG2 PRO A 41 -21.161 52.519 -22.482 1.00 25.22 H new ATOM 0 HG3 PRO A 41 -20.318 52.893 -23.972 1.00 25.22 H new ATOM 0 HD2 PRO A 41 -21.945 54.709 -22.758 1.00 11.13 H new ATOM 0 HD3 PRO A 41 -21.758 54.667 -24.500 1.00 11.13 H new ATOM 591 N ASP A 42 -24.501 52.190 -21.774 1.00 73.21 N ATOM 592 CA ASP A 42 -25.074 51.601 -20.569 1.00 54.20 C ATOM 593 C ASP A 42 -26.247 52.435 -20.063 1.00 40.44 C ATOM 594 O ASP A 42 -26.079 53.594 -19.684 1.00 41.35 O ATOM 595 CB ASP A 42 -24.010 51.481 -19.478 1.00 0.13 C ATOM 596 CG ASP A 42 -22.780 50.730 -19.949 1.00 33.23 C ATOM 597 OD1 ASP A 42 -22.933 49.596 -20.451 1.00 1.24 O ATOM 598 OD2 ASP A 42 -21.665 51.276 -19.817 1.00 63.20 O ATOM 0 H ASP A 42 -24.393 53.204 -21.737 1.00 73.21 H new ATOM 0 HA ASP A 42 -25.440 50.605 -20.819 1.00 54.20 H new ATOM 0 HB2 ASP A 42 -23.719 52.478 -19.147 1.00 0.13 H new ATOM 0 HB3 ASP A 42 -24.435 50.970 -18.614 1.00 0.13 H new ATOM 603 N GLN A 43 -27.435 51.837 -20.059 1.00 42.20 N ATOM 604 CA GLN A 43 -28.635 52.524 -19.601 1.00 44.25 C ATOM 605 C GLN A 43 -28.523 52.890 -18.125 1.00 14.35 C ATOM 606 O GLN A 43 -29.375 53.595 -17.583 1.00 60.01 O ATOM 607 CB GLN A 43 -29.870 51.650 -19.829 1.00 3.25 C ATOM 608 CG GLN A 43 -29.716 50.232 -19.303 1.00 4.35 C ATOM 609 CD GLN A 43 -30.464 50.008 -18.004 1.00 72.53 C ATOM 610 OE1 GLN A 43 -29.920 50.528 -16.909 1.00 21.23 O flip ATOM 611 NE2 GLN A 43 -31.520 49.376 -17.983 1.00 71.12 N flip ATOM 0 H GLN A 43 -27.591 50.878 -20.368 1.00 42.20 H new ATOM 0 HA GLN A 43 -28.738 53.443 -20.178 1.00 44.25 H new ATOM 0 HB2 GLN A 43 -30.729 52.116 -19.347 1.00 3.25 H new ATOM 0 HB3 GLN A 43 -30.086 51.611 -20.897 1.00 3.25 H new ATOM 0 HG2 GLN A 43 -30.079 49.529 -20.053 1.00 4.35 H new ATOM 0 HG3 GLN A 43 -28.658 50.018 -19.150 1.00 4.35 H new ATOM 0 HE21 GLN A 43 -31.903 48.994 -18.848 1.00 71.12 H new ATOM 0 HE22 GLN A 43 -32.012 49.235 -17.101 1.00 71.12 H new ATOM 620 N ARG A 44 -27.467 52.407 -17.479 1.00 1.11 N ATOM 621 CA ARG A 44 -27.245 52.682 -16.064 1.00 30.10 C ATOM 622 C ARG A 44 -27.736 54.079 -15.698 1.00 10.33 C ATOM 623 O ARG A 44 -28.417 54.266 -14.691 1.00 72.41 O ATOM 624 CB ARG A 44 -25.760 52.545 -15.723 1.00 25.13 C ATOM 625 CG ARG A 44 -25.185 51.174 -16.043 1.00 75.24 C ATOM 626 CD ARG A 44 -25.302 50.232 -14.855 1.00 64.45 C ATOM 627 NE ARG A 44 -24.061 50.158 -14.090 1.00 20.31 N ATOM 628 CZ ARG A 44 -23.038 49.378 -14.421 1.00 62.22 C ATOM 629 NH1 ARG A 44 -23.109 48.609 -15.499 1.00 25.04 N ATOM 630 NH2 ARG A 44 -21.942 49.365 -13.675 1.00 11.22 N ATOM 0 H ARG A 44 -26.752 51.823 -17.913 1.00 1.11 H new ATOM 0 HA ARG A 44 -27.812 51.954 -15.485 1.00 30.10 H new ATOM 0 HB2 ARG A 44 -25.199 53.302 -16.271 1.00 25.13 H new ATOM 0 HB3 ARG A 44 -25.619 52.750 -14.662 1.00 25.13 H new ATOM 0 HG2 ARG A 44 -25.709 50.749 -16.899 1.00 75.24 H new ATOM 0 HG3 ARG A 44 -24.138 51.274 -16.328 1.00 75.24 H new ATOM 0 HD2 ARG A 44 -26.109 50.568 -14.204 1.00 64.45 H new ATOM 0 HD3 ARG A 44 -25.570 49.236 -15.207 1.00 64.45 H new ATOM 0 HE ARG A 44 -23.975 50.737 -13.255 1.00 20.31 H new ATOM 0 HH11 ARG A 44 -23.950 48.616 -16.076 1.00 25.04 H new ATOM 0 HH12 ARG A 44 -22.322 48.011 -15.751 1.00 25.04 H new ATOM 0 HH21 ARG A 44 -21.883 49.955 -12.845 1.00 11.22 H new ATOM 0 HH22 ARG A 44 -21.158 48.765 -13.931 1.00 11.22 H new ATOM 644 N LYS A 45 -27.383 55.059 -16.523 1.00 43.24 N ATOM 645 CA LYS A 45 -27.787 56.440 -16.288 1.00 41.53 C ATOM 646 C LYS A 45 -27.775 57.239 -17.587 1.00 4.24 C ATOM 647 O LYS A 45 -26.714 57.607 -18.092 1.00 15.02 O ATOM 648 CB LYS A 45 -26.858 57.097 -15.264 1.00 53.54 C ATOM 649 CG LYS A 45 -27.565 58.080 -14.347 1.00 32.34 C ATOM 650 CD LYS A 45 -28.345 57.362 -13.256 1.00 44.22 C ATOM 651 CE LYS A 45 -29.377 58.276 -12.615 1.00 23.10 C ATOM 652 NZ LYS A 45 -30.736 57.666 -12.615 1.00 3.24 N ATOM 0 H LYS A 45 -26.818 54.922 -17.361 1.00 43.24 H new ATOM 0 HA LYS A 45 -28.804 56.433 -15.896 1.00 41.53 H new ATOM 0 HB2 LYS A 45 -26.390 56.320 -14.659 1.00 53.54 H new ATOM 0 HB3 LYS A 45 -26.058 57.616 -15.792 1.00 53.54 H new ATOM 0 HG2 LYS A 45 -26.832 58.747 -13.893 1.00 32.34 H new ATOM 0 HG3 LYS A 45 -28.243 58.702 -14.932 1.00 32.34 H new ATOM 0 HD2 LYS A 45 -28.843 56.489 -13.678 1.00 44.22 H new ATOM 0 HD3 LYS A 45 -27.656 56.999 -12.494 1.00 44.22 H new ATOM 0 HE2 LYS A 45 -29.079 58.498 -11.590 1.00 23.10 H new ATOM 0 HE3 LYS A 45 -29.405 59.224 -13.151 1.00 23.10 H new ATOM 0 HZ1 LYS A 45 -31.410 58.321 -12.169 1.00 3.24 H new ATOM 0 HZ2 LYS A 45 -31.032 57.477 -13.594 1.00 3.24 H new ATOM 0 HZ3 LYS A 45 -30.716 56.774 -12.081 1.00 3.24 H new ATOM 666 N VAL A 46 -28.961 57.505 -18.125 1.00 64.31 N ATOM 667 CA VAL A 46 -29.086 58.263 -19.364 1.00 21.31 C ATOM 668 C VAL A 46 -29.875 59.550 -19.144 1.00 42.13 C ATOM 669 O VAL A 46 -31.049 59.517 -18.774 1.00 41.33 O ATOM 670 CB VAL A 46 -29.778 57.432 -20.462 1.00 0.32 C ATOM 671 CG1 VAL A 46 -30.481 58.343 -21.458 1.00 12.24 C ATOM 672 CG2 VAL A 46 -28.770 56.536 -21.167 1.00 14.33 C ATOM 0 H VAL A 46 -29.849 57.207 -17.722 1.00 64.31 H new ATOM 0 HA VAL A 46 -28.075 58.511 -19.687 1.00 21.31 H new ATOM 0 HB VAL A 46 -30.529 56.797 -19.993 1.00 0.32 H new ATOM 0 HG11 VAL A 46 -30.964 57.739 -22.226 1.00 12.24 H new ATOM 0 HG12 VAL A 46 -31.232 58.938 -20.939 1.00 12.24 H new ATOM 0 HG13 VAL A 46 -29.751 59.005 -21.923 1.00 12.24 H new ATOM 0 HG21 VAL A 46 -29.276 55.956 -21.939 1.00 14.33 H new ATOM 0 HG22 VAL A 46 -27.994 57.150 -21.624 1.00 14.33 H new ATOM 0 HG23 VAL A 46 -28.317 55.859 -20.443 1.00 14.33 H new ATOM 682 N THR A 47 -29.221 60.684 -19.376 1.00 31.31 N ATOM 683 CA THR A 47 -29.859 61.982 -19.202 1.00 11.22 C ATOM 684 C THR A 47 -30.240 62.592 -20.546 1.00 61.33 C ATOM 685 O THR A 47 -29.372 62.747 -21.404 1.00 34.03 O ATOM 686 CB THR A 47 -28.941 62.964 -18.447 1.00 61.12 C ATOM 687 OG1 THR A 47 -28.717 62.497 -17.113 1.00 63.21 O ATOM 688 CG2 THR A 47 -29.554 64.355 -18.406 1.00 50.53 C ATOM 0 H THR A 47 -28.250 60.729 -19.685 1.00 31.31 H new ATOM 0 HA THR A 47 -30.761 61.814 -18.613 1.00 11.22 H new ATOM 0 HB THR A 47 -27.990 63.019 -18.977 1.00 61.12 H new ATOM 0 HG1 THR A 47 -28.132 63.125 -16.640 1.00 63.21 H new ATOM 0 HG21 THR A 47 -28.888 65.030 -17.868 1.00 50.53 H new ATOM 0 HG22 THR A 47 -29.697 64.720 -19.423 1.00 50.53 H new ATOM 0 HG23 THR A 47 -30.517 64.313 -17.897 1.00 50.53 H new ATOM 696 N CYS A 48 -31.515 62.921 -20.700 1.00 13.33 N ATOM 697 CA CYS A 48 -31.991 63.510 -21.940 1.00 12.12 C ATOM 698 C CYS A 48 -31.334 64.882 -22.103 1.00 54.13 C ATOM 699 O CYS A 48 -31.270 65.448 -23.194 1.00 72.11 O ATOM 700 CB CYS A 48 -33.518 63.599 -21.973 1.00 61.13 C ATOM 701 SG CYS A 48 -34.037 65.126 -22.840 1.00 24.12 S ATOM 0 H CYS A 48 -32.232 62.791 -19.987 1.00 13.33 H new ATOM 0 HA CYS A 48 -31.712 62.874 -22.780 1.00 12.12 H new ATOM 0 HB2 CYS A 48 -33.931 62.726 -22.478 1.00 61.13 H new ATOM 0 HB3 CYS A 48 -33.913 63.596 -20.957 1.00 61.13 H new ATOM 706 N GLU A 49 -30.848 65.409 -20.984 1.00 31.40 N ATOM 707 CA GLU A 49 -30.194 66.712 -20.974 1.00 22.00 C ATOM 708 C GLU A 49 -28.721 66.583 -21.354 1.00 23.12 C ATOM 709 O GLU A 49 -28.053 65.622 -20.978 1.00 21.42 O ATOM 710 CB GLU A 49 -30.321 67.362 -19.596 1.00 20.55 C ATOM 711 CG GLU A 49 -29.328 68.486 -19.357 1.00 44.52 C ATOM 712 CD GLU A 49 -29.938 69.858 -19.562 1.00 42.20 C ATOM 713 OE1 GLU A 49 -29.905 70.359 -20.706 1.00 63.33 O ATOM 714 OE2 GLU A 49 -30.451 70.433 -18.578 1.00 24.54 O ATOM 0 H GLU A 49 -30.895 64.954 -20.072 1.00 31.40 H new ATOM 0 HA GLU A 49 -30.689 67.344 -21.712 1.00 22.00 H new ATOM 0 HB2 GLU A 49 -31.332 67.752 -19.480 1.00 20.55 H new ATOM 0 HB3 GLU A 49 -30.184 66.599 -18.830 1.00 20.55 H new ATOM 0 HG2 GLU A 49 -28.941 68.413 -18.341 1.00 44.52 H new ATOM 0 HG3 GLU A 49 -28.480 68.366 -20.031 1.00 44.52 H new ATOM 721 N GLY A 50 -28.221 67.562 -22.104 1.00 74.43 N ATOM 722 CA GLY A 50 -26.833 67.540 -22.522 1.00 0.13 C ATOM 723 C GLY A 50 -26.391 68.854 -23.135 1.00 51.41 C ATOM 724 O GLY A 50 -25.540 69.551 -22.584 1.00 23.11 O ATOM 0 H GLY A 50 -28.754 68.369 -22.429 1.00 74.43 H new ATOM 0 HA2 GLY A 50 -26.202 67.313 -21.663 1.00 0.13 H new ATOM 0 HA3 GLY A 50 -26.687 66.738 -23.246 1.00 0.13 H new ATOM 728 N GLY A 51 -26.970 69.194 -24.283 1.00 52.32 N ATOM 729 CA GLY A 51 -26.618 70.432 -24.954 1.00 43.45 C ATOM 730 C GLY A 51 -27.578 71.560 -24.632 1.00 10.42 C ATOM 731 O GLY A 51 -28.344 71.477 -23.673 1.00 70.34 O ATOM 0 H GLY A 51 -27.677 68.634 -24.760 1.00 52.32 H new ATOM 0 HA2 GLY A 51 -25.609 70.724 -24.664 1.00 43.45 H new ATOM 0 HA3 GLY A 51 -26.605 70.267 -26.031 1.00 43.45 H new ATOM 735 N ASN A 52 -27.533 72.620 -25.432 1.00 12.21 N ATOM 736 CA ASN A 52 -28.404 73.772 -25.225 1.00 4.14 C ATOM 737 C ASN A 52 -29.803 73.501 -25.770 1.00 30.34 C ATOM 738 O ASN A 52 -29.974 72.727 -26.710 1.00 71.22 O ATOM 739 CB ASN A 52 -27.812 75.012 -25.899 1.00 63.12 C ATOM 740 CG ASN A 52 -26.782 75.706 -25.031 1.00 31.13 C ATOM 741 OD1 ASN A 52 -25.626 75.863 -25.424 1.00 71.30 O ATOM 742 ND2 ASN A 52 -27.197 76.127 -23.842 1.00 34.54 N ATOM 0 H ASN A 52 -26.903 72.706 -26.230 1.00 12.21 H new ATOM 0 HA ASN A 52 -28.480 73.951 -24.153 1.00 4.14 H new ATOM 0 HB2 ASN A 52 -27.352 74.723 -26.844 1.00 63.12 H new ATOM 0 HB3 ASN A 52 -28.614 75.711 -26.136 1.00 63.12 H new ATOM 0 HD21 ASN A 52 -26.548 76.602 -23.214 1.00 34.54 H new ATOM 0 HD22 ASN A 52 -28.165 75.976 -23.557 1.00 34.54 H new ATOM 749 N GLY A 53 -30.800 74.145 -25.171 1.00 62.43 N ATOM 750 CA GLY A 53 -32.171 73.961 -25.610 1.00 22.33 C ATOM 751 C GLY A 53 -32.758 72.643 -25.143 1.00 1.05 C ATOM 752 O GLY A 53 -33.901 72.590 -24.691 1.00 30.14 O ATOM 0 H GLY A 53 -30.683 74.791 -24.390 1.00 62.43 H new ATOM 0 HA2 GLY A 53 -32.783 74.781 -25.234 1.00 22.33 H new ATOM 0 HA3 GLY A 53 -32.210 74.007 -26.698 1.00 22.33 H new ATOM 756 N LEU A 54 -31.973 71.577 -25.255 1.00 61.21 N ATOM 757 CA LEU A 54 -32.421 70.252 -24.842 1.00 25.30 C ATOM 758 C LEU A 54 -32.076 69.990 -23.381 1.00 35.34 C ATOM 759 O LEU A 54 -30.936 70.178 -22.958 1.00 21.22 O ATOM 760 CB LEU A 54 -31.785 69.177 -25.728 1.00 54.54 C ATOM 761 CG LEU A 54 -31.731 69.488 -27.224 1.00 4.24 C ATOM 762 CD1 LEU A 54 -30.836 68.490 -27.943 1.00 62.34 C ATOM 763 CD2 LEU A 54 -33.129 69.482 -27.821 1.00 63.14 C ATOM 0 H LEU A 54 -31.024 71.604 -25.628 1.00 61.21 H new ATOM 0 HA LEU A 54 -33.505 70.212 -24.953 1.00 25.30 H new ATOM 0 HB2 LEU A 54 -30.768 69.000 -25.377 1.00 54.54 H new ATOM 0 HB3 LEU A 54 -32.337 68.247 -25.590 1.00 54.54 H new ATOM 0 HG LEU A 54 -31.308 70.484 -27.354 1.00 4.24 H new ATOM 0 HD11 LEU A 54 -30.809 68.726 -29.007 1.00 62.34 H new ATOM 0 HD12 LEU A 54 -29.827 68.545 -27.533 1.00 62.34 H new ATOM 0 HD13 LEU A 54 -31.229 67.483 -27.805 1.00 62.34 H new ATOM 0 HD21 LEU A 54 -33.071 69.705 -28.886 1.00 63.14 H new ATOM 0 HD22 LEU A 54 -33.581 68.500 -27.680 1.00 63.14 H new ATOM 0 HD23 LEU A 54 -33.740 70.236 -27.325 1.00 63.14 H new ATOM 775 N GLY A 55 -33.070 69.553 -22.611 1.00 10.44 N ATOM 776 CA GLY A 55 -32.850 69.273 -21.205 1.00 72.51 C ATOM 777 C GLY A 55 -34.146 69.076 -20.443 1.00 31.33 C ATOM 778 O GLY A 55 -34.898 70.036 -20.284 1.00 32.52 O ATOM 0 H GLY A 55 -34.022 69.388 -22.937 1.00 10.44 H new ATOM 0 HA2 GLY A 55 -32.235 68.378 -21.108 1.00 72.51 H new ATOM 0 HA3 GLY A 55 -32.290 70.094 -20.757 1.00 72.51 H new ATOM 782 N CYS A 56 -34.385 67.852 -19.993 1.00 0.41 N ATOM 783 CA CYS A 56 -35.598 67.551 -19.253 1.00 15.24 C ATOM 784 C CYS A 56 -35.263 67.557 -17.759 1.00 43.30 C ATOM 785 O CYS A 56 -35.918 68.207 -16.946 1.00 44.24 O ATOM 786 CB CYS A 56 -36.215 66.222 -19.694 1.00 12.04 C ATOM 787 SG CYS A 56 -37.147 66.452 -21.252 1.00 21.12 S ATOM 0 H CYS A 56 -33.759 67.058 -20.127 1.00 0.41 H new ATOM 0 HA CYS A 56 -36.351 68.312 -19.459 1.00 15.24 H new ATOM 0 HB2 CYS A 56 -35.432 65.477 -19.835 1.00 12.04 H new ATOM 0 HB3 CYS A 56 -36.878 65.843 -18.916 1.00 12.04 H new ATOM 792 N GLY A 57 -34.217 66.811 -17.416 1.00 51.01 N ATOM 793 CA GLY A 57 -33.790 66.727 -16.031 1.00 61.11 C ATOM 794 C GLY A 57 -33.975 65.339 -15.451 1.00 24.34 C ATOM 795 O GLY A 57 -33.333 64.980 -14.463 1.00 2.33 O ATOM 0 H GLY A 57 -33.658 66.264 -18.071 1.00 51.01 H new ATOM 0 HA2 GLY A 57 -32.740 67.010 -15.960 1.00 61.11 H new ATOM 0 HA3 GLY A 57 -34.355 67.445 -15.436 1.00 61.11 H new ATOM 799 N PHE A 58 -34.856 64.554 -16.064 1.00 24.04 N ATOM 800 CA PHE A 58 -35.125 63.198 -15.601 1.00 2.34 C ATOM 801 C PHE A 58 -34.540 62.169 -16.564 1.00 24.24 C ATOM 802 O PHE A 58 -34.957 62.076 -17.719 1.00 20.43 O ATOM 803 CB PHE A 58 -36.632 62.976 -15.454 1.00 54.22 C ATOM 804 CG PHE A 58 -36.986 61.645 -14.860 1.00 30.25 C ATOM 805 CD1 PHE A 58 -37.015 60.504 -15.647 1.00 11.22 C ATOM 806 CD2 PHE A 58 -37.291 61.530 -13.512 1.00 35.25 C ATOM 807 CE1 PHE A 58 -37.341 59.276 -15.103 1.00 40.01 C ATOM 808 CE2 PHE A 58 -37.617 60.304 -12.963 1.00 32.15 C ATOM 809 CZ PHE A 58 -37.643 59.177 -13.759 1.00 5.12 C ATOM 0 H PHE A 58 -35.396 64.834 -16.883 1.00 24.04 H new ATOM 0 HA PHE A 58 -34.649 63.072 -14.628 1.00 2.34 H new ATOM 0 HB2 PHE A 58 -37.048 63.766 -14.829 1.00 54.22 H new ATOM 0 HB3 PHE A 58 -37.101 63.064 -16.434 1.00 54.22 H new ATOM 0 HD1 PHE A 58 -36.780 60.576 -16.699 1.00 11.22 H new ATOM 0 HD2 PHE A 58 -37.274 62.408 -12.884 1.00 35.25 H new ATOM 0 HE1 PHE A 58 -37.360 58.395 -15.728 1.00 40.01 H new ATOM 0 HE2 PHE A 58 -37.851 60.228 -11.911 1.00 32.15 H new ATOM 0 HZ PHE A 58 -37.899 58.219 -13.332 1.00 5.12 H new ATOM 819 N ALA A 59 -33.571 61.397 -16.081 1.00 52.43 N ATOM 820 CA ALA A 59 -32.931 60.375 -16.896 1.00 11.14 C ATOM 821 C ALA A 59 -33.901 59.244 -17.222 1.00 1.33 C ATOM 822 O ALA A 59 -34.910 59.062 -16.539 1.00 23.33 O ATOM 823 CB ALA A 59 -31.700 59.829 -16.187 1.00 51.40 C ATOM 0 H ALA A 59 -33.213 61.462 -15.128 1.00 52.43 H new ATOM 0 HA ALA A 59 -32.623 60.835 -17.835 1.00 11.14 H new ATOM 0 HB1 ALA A 59 -31.231 59.066 -16.808 1.00 51.40 H new ATOM 0 HB2 ALA A 59 -30.992 60.639 -16.011 1.00 51.40 H new ATOM 0 HB3 ALA A 59 -31.994 59.391 -15.233 1.00 51.40 H new ATOM 829 N PHE A 60 -33.590 58.486 -18.267 1.00 60.53 N ATOM 830 CA PHE A 60 -34.436 57.374 -18.684 1.00 42.14 C ATOM 831 C PHE A 60 -33.596 56.137 -18.995 1.00 54.44 C ATOM 832 O PHE A 60 -32.369 56.223 -18.974 1.00 65.22 O ATOM 833 CB PHE A 60 -35.261 57.764 -19.912 1.00 20.24 C ATOM 834 CG PHE A 60 -34.436 58.321 -21.037 1.00 24.43 C ATOM 835 CD1 PHE A 60 -33.787 59.537 -20.903 1.00 41.15 C ATOM 836 CD2 PHE A 60 -34.308 57.625 -22.229 1.00 75.22 C ATOM 837 CE1 PHE A 60 -33.026 60.051 -21.936 1.00 65.03 C ATOM 838 CE2 PHE A 60 -33.549 58.135 -23.265 1.00 25.21 C ATOM 839 CZ PHE A 60 -32.908 59.349 -23.120 1.00 73.31 C ATOM 0 H PHE A 60 -32.758 58.621 -18.841 1.00 60.53 H new ATOM 0 HA PHE A 60 -35.111 57.137 -17.861 1.00 42.14 H new ATOM 0 HB2 PHE A 60 -35.803 56.888 -20.269 1.00 20.24 H new ATOM 0 HB3 PHE A 60 -36.007 58.503 -19.619 1.00 20.24 H new ATOM 0 HD1 PHE A 60 -33.877 60.091 -19.980 1.00 41.15 H new ATOM 0 HD2 PHE A 60 -34.807 56.675 -22.349 1.00 75.22 H new ATOM 0 HE1 PHE A 60 -32.524 61.000 -21.818 1.00 65.03 H new ATOM 0 HE2 PHE A 60 -33.457 57.583 -24.189 1.00 25.21 H new ATOM 0 HZ PHE A 60 -32.316 59.749 -23.930 1.00 73.31 H new ATOM 849 N CYS A 61 -34.268 55.030 -19.271 1.00 22.14 N ATOM 850 CA CYS A 61 -33.574 53.792 -19.581 1.00 5.14 C ATOM 851 C CYS A 61 -33.514 53.642 -21.103 1.00 72.51 C ATOM 852 O CYS A 61 -34.530 53.518 -21.786 1.00 42.14 O ATOM 853 CB CYS A 61 -34.241 52.587 -18.915 1.00 5.33 C ATOM 854 SG CYS A 61 -33.320 51.058 -19.320 1.00 1.12 S ATOM 0 H CYS A 61 -35.286 54.964 -19.287 1.00 22.14 H new ATOM 0 HA CYS A 61 -32.561 53.831 -19.181 1.00 5.14 H new ATOM 0 HB2 CYS A 61 -34.270 52.728 -17.835 1.00 5.33 H new ATOM 0 HB3 CYS A 61 -35.274 52.500 -19.253 1.00 5.33 H new ATOM 859 N ARG A 62 -32.291 53.657 -21.621 1.00 4.23 N ATOM 860 CA ARG A 62 -32.067 53.526 -23.055 1.00 65.11 C ATOM 861 C ARG A 62 -32.434 52.127 -23.538 1.00 61.54 C ATOM 862 O ARG A 62 -32.850 51.943 -24.682 1.00 22.34 O ATOM 863 CB ARG A 62 -30.606 53.827 -23.395 1.00 3.14 C ATOM 864 CG ARG A 62 -30.215 53.425 -24.809 1.00 31.25 C ATOM 865 CD ARG A 62 -28.746 53.040 -24.891 1.00 5.45 C ATOM 866 NE ARG A 62 -28.353 52.665 -26.247 1.00 72.32 N ATOM 867 CZ ARG A 62 -27.268 51.951 -26.527 1.00 54.13 C ATOM 868 NH1 ARG A 62 -26.472 51.537 -25.551 1.00 15.41 N ATOM 869 NH2 ARG A 62 -26.978 51.650 -27.786 1.00 30.12 N ATOM 0 H ARG A 62 -31.439 53.759 -21.069 1.00 4.23 H new ATOM 0 HA ARG A 62 -32.707 54.247 -23.563 1.00 65.11 H new ATOM 0 HB2 ARG A 62 -30.424 54.894 -23.266 1.00 3.14 H new ATOM 0 HB3 ARG A 62 -29.962 53.306 -22.687 1.00 3.14 H new ATOM 0 HG2 ARG A 62 -30.831 52.586 -25.134 1.00 31.25 H new ATOM 0 HG3 ARG A 62 -30.415 54.251 -25.492 1.00 31.25 H new ATOM 0 HD2 ARG A 62 -28.133 53.876 -24.554 1.00 5.45 H new ATOM 0 HD3 ARG A 62 -28.551 52.208 -24.214 1.00 5.45 H new ATOM 0 HE ARG A 62 -28.944 52.968 -27.021 1.00 72.32 H new ATOM 0 HH11 ARG A 62 -26.692 51.766 -24.582 1.00 15.41 H new ATOM 0 HH12 ARG A 62 -25.640 50.989 -25.769 1.00 15.41 H new ATOM 0 HH21 ARG A 62 -27.588 51.967 -28.540 1.00 30.12 H new ATOM 0 HH22 ARG A 62 -26.145 51.102 -28.000 1.00 30.12 H new ATOM 883 N GLU A 63 -32.279 51.142 -22.658 1.00 61.23 N ATOM 884 CA GLU A 63 -32.593 49.760 -22.995 1.00 72.31 C ATOM 885 C GLU A 63 -34.054 49.620 -23.413 1.00 20.41 C ATOM 886 O GLU A 63 -34.339 48.921 -24.384 1.00 40.32 O ATOM 887 CB GLU A 63 -32.302 48.842 -21.806 1.00 31.45 C ATOM 888 CG GLU A 63 -31.110 47.925 -22.021 1.00 4.42 C ATOM 889 CD GLU A 63 -31.348 46.906 -23.118 1.00 24.20 C ATOM 890 OE1 GLU A 63 -32.220 46.031 -22.936 1.00 42.33 O ATOM 891 OE2 GLU A 63 -30.663 46.984 -24.159 1.00 0.13 O ATOM 0 H GLU A 63 -31.938 51.277 -21.706 1.00 61.23 H new ATOM 0 HA GLU A 63 -31.963 49.466 -23.834 1.00 72.31 H new ATOM 0 HB2 GLU A 63 -32.124 49.453 -20.921 1.00 31.45 H new ATOM 0 HB3 GLU A 63 -33.184 48.235 -21.602 1.00 31.45 H new ATOM 0 HG2 GLU A 63 -30.235 48.525 -22.271 1.00 4.42 H new ATOM 0 HG3 GLU A 63 -30.884 47.405 -21.090 1.00 4.42 H new ATOM 898 N CYS A 64 -34.937 50.279 -22.677 1.00 43.51 N ATOM 899 CA CYS A 64 -36.357 50.219 -22.981 1.00 52.31 C ATOM 900 C CYS A 64 -36.821 51.620 -23.386 1.00 2.45 C ATOM 901 O CYS A 64 -38.004 51.880 -23.602 1.00 33.12 O ATOM 902 CB CYS A 64 -37.165 49.670 -21.803 1.00 64.54 C ATOM 903 SG CYS A 64 -36.739 50.578 -20.273 1.00 54.11 S ATOM 0 H CYS A 64 -34.697 50.857 -21.871 1.00 43.51 H new ATOM 0 HA CYS A 64 -36.526 49.528 -23.807 1.00 52.31 H new ATOM 0 HB2 CYS A 64 -38.231 49.766 -22.007 1.00 64.54 H new ATOM 0 HB3 CYS A 64 -36.959 48.607 -21.674 1.00 64.54 H new ATOM 908 N LYS A 65 -35.853 52.525 -23.484 1.00 5.32 N ATOM 909 CA LYS A 65 -36.131 53.905 -23.863 1.00 2.31 C ATOM 910 C LYS A 65 -37.358 54.435 -23.126 1.00 50.14 C ATOM 911 O LYS A 65 -38.099 55.264 -23.654 1.00 22.43 O ATOM 912 CB LYS A 65 -36.347 54.008 -25.375 1.00 35.00 C ATOM 913 CG LYS A 65 -37.100 52.829 -25.963 1.00 2.41 C ATOM 914 CD LYS A 65 -37.197 52.927 -27.476 1.00 3.12 C ATOM 915 CE LYS A 65 -38.460 53.657 -27.908 1.00 24.24 C ATOM 916 NZ LYS A 65 -38.220 55.113 -28.102 1.00 44.41 N ATOM 0 H LYS A 65 -34.868 52.327 -23.306 1.00 5.32 H new ATOM 0 HA LYS A 65 -35.270 54.512 -23.584 1.00 2.31 H new ATOM 0 HB2 LYS A 65 -36.896 54.924 -25.594 1.00 35.00 H new ATOM 0 HB3 LYS A 65 -35.378 54.091 -25.867 1.00 35.00 H new ATOM 0 HG2 LYS A 65 -36.597 51.902 -25.689 1.00 2.41 H new ATOM 0 HG3 LYS A 65 -38.102 52.786 -25.535 1.00 2.41 H new ATOM 0 HD2 LYS A 65 -36.323 53.449 -27.865 1.00 3.12 H new ATOM 0 HD3 LYS A 65 -37.188 51.926 -27.908 1.00 3.12 H new ATOM 0 HE2 LYS A 65 -38.831 53.223 -28.837 1.00 24.24 H new ATOM 0 HE3 LYS A 65 -39.237 53.514 -27.157 1.00 24.24 H new ATOM 0 HZ1 LYS A 65 -38.970 55.512 -28.702 1.00 44.41 H new ATOM 0 HZ2 LYS A 65 -38.225 55.592 -27.179 1.00 44.41 H new ATOM 0 HZ3 LYS A 65 -37.297 55.255 -28.561 1.00 44.41 H new ATOM 930 N GLU A 66 -37.565 53.951 -21.907 1.00 2.33 N ATOM 931 CA GLU A 66 -38.702 54.376 -21.099 1.00 35.23 C ATOM 932 C GLU A 66 -38.235 55.002 -19.787 1.00 3.31 C ATOM 933 O GLU A 66 -37.045 54.994 -19.474 1.00 70.41 O ATOM 934 CB GLU A 66 -39.623 53.189 -20.810 1.00 61.34 C ATOM 935 CG GLU A 66 -40.862 53.152 -21.690 1.00 14.21 C ATOM 936 CD GLU A 66 -41.517 54.512 -21.832 1.00 61.44 C ATOM 937 OE1 GLU A 66 -42.249 54.917 -20.905 1.00 14.45 O ATOM 938 OE2 GLU A 66 -41.299 55.170 -22.870 1.00 2.44 O ATOM 0 H GLU A 66 -36.961 53.264 -21.456 1.00 2.33 H new ATOM 0 HA GLU A 66 -39.255 55.127 -21.664 1.00 35.23 H new ATOM 0 HB2 GLU A 66 -39.063 52.264 -20.946 1.00 61.34 H new ATOM 0 HB3 GLU A 66 -39.931 53.225 -19.765 1.00 61.34 H new ATOM 0 HG2 GLU A 66 -40.591 52.779 -22.677 1.00 14.21 H new ATOM 0 HG3 GLU A 66 -41.581 52.449 -21.270 1.00 14.21 H new ATOM 945 N ALA A 67 -39.181 55.544 -19.028 1.00 11.54 N ATOM 946 CA ALA A 67 -38.867 56.173 -17.750 1.00 52.45 C ATOM 947 C ALA A 67 -38.047 55.240 -16.866 1.00 51.01 C ATOM 948 O ALA A 67 -38.369 54.060 -16.727 1.00 5.41 O ATOM 949 CB ALA A 67 -40.146 56.590 -17.040 1.00 41.22 C ATOM 0 H ALA A 67 -40.171 55.561 -19.275 1.00 11.54 H new ATOM 0 HA ALA A 67 -38.268 57.062 -17.947 1.00 52.45 H new ATOM 0 HB1 ALA A 67 -39.897 57.058 -16.088 1.00 41.22 H new ATOM 0 HB2 ALA A 67 -40.692 57.300 -17.661 1.00 41.22 H new ATOM 0 HB3 ALA A 67 -40.766 55.712 -16.862 1.00 41.22 H new ATOM 955 N TYR A 68 -36.988 55.775 -16.271 1.00 54.45 N ATOM 956 CA TYR A 68 -36.121 54.990 -15.402 1.00 54.14 C ATOM 957 C TYR A 68 -36.932 54.265 -14.332 1.00 62.21 C ATOM 958 O TYR A 68 -37.357 54.866 -13.344 1.00 24.05 O ATOM 959 CB TYR A 68 -35.075 55.890 -14.740 1.00 63.13 C ATOM 960 CG TYR A 68 -33.788 55.174 -14.399 1.00 72.50 C ATOM 961 CD1 TYR A 68 -33.637 54.514 -13.186 1.00 30.24 C ATOM 962 CD2 TYR A 68 -32.723 55.157 -15.292 1.00 12.12 C ATOM 963 CE1 TYR A 68 -32.463 53.859 -12.870 1.00 13.11 C ATOM 964 CE2 TYR A 68 -31.546 54.503 -14.985 1.00 24.21 C ATOM 965 CZ TYR A 68 -31.420 53.856 -13.773 1.00 15.04 C ATOM 966 OH TYR A 68 -30.249 53.204 -13.462 1.00 2.31 O ATOM 0 H TYR A 68 -36.709 56.751 -16.375 1.00 54.45 H new ATOM 0 HA TYR A 68 -35.615 54.245 -16.016 1.00 54.14 H new ATOM 0 HB2 TYR A 68 -34.852 56.724 -15.406 1.00 63.13 H new ATOM 0 HB3 TYR A 68 -35.497 56.314 -13.829 1.00 63.13 H new ATOM 0 HD1 TYR A 68 -34.452 54.513 -12.478 1.00 30.24 H new ATOM 0 HD2 TYR A 68 -32.817 55.663 -16.241 1.00 12.12 H new ATOM 0 HE1 TYR A 68 -32.362 53.352 -11.922 1.00 13.11 H new ATOM 0 HE2 TYR A 68 -30.728 54.498 -15.690 1.00 24.21 H new ATOM 0 HH TYR A 68 -29.487 53.788 -13.658 1.00 2.31 H new ATOM 976 N HIS A 69 -37.144 52.969 -14.538 1.00 53.12 N ATOM 977 CA HIS A 69 -37.905 52.160 -13.591 1.00 44.20 C ATOM 978 C HIS A 69 -37.128 51.968 -12.294 1.00 31.11 C ATOM 979 O HIS A 69 -37.712 51.701 -11.243 1.00 5.12 O ATOM 980 CB HIS A 69 -38.240 50.800 -14.206 1.00 33.32 C ATOM 981 CG HIS A 69 -37.216 50.318 -15.187 1.00 45.50 C ATOM 982 ND1 HIS A 69 -36.075 49.642 -14.813 1.00 65.24 N ATOM 983 CD2 HIS A 69 -37.169 50.417 -16.536 1.00 72.41 C ATOM 984 CE1 HIS A 69 -35.368 49.346 -15.891 1.00 22.54 C ATOM 985 NE2 HIS A 69 -36.011 49.805 -16.949 1.00 11.33 N ATOM 0 H HIS A 69 -36.800 52.457 -15.350 1.00 53.12 H new ATOM 0 HA HIS A 69 -38.832 52.686 -13.363 1.00 44.20 H new ATOM 0 HB2 HIS A 69 -38.341 50.065 -13.408 1.00 33.32 H new ATOM 0 HB3 HIS A 69 -39.207 50.864 -14.705 1.00 33.32 H new ATOM 0 HD1 HIS A 69 -35.816 49.407 -13.855 1.00 65.24 H new ATOM 0 HD2 HIS A 69 -37.905 50.889 -17.170 1.00 72.41 H new ATOM 0 HE1 HIS A 69 -34.426 48.819 -15.904 1.00 22.54 H new ATOM 993 N GLU A 70 -35.807 52.106 -12.373 1.00 72.23 N ATOM 994 CA GLU A 70 -34.952 51.947 -11.204 1.00 21.33 C ATOM 995 C GLU A 70 -34.955 50.500 -10.721 1.00 32.25 C ATOM 996 O GLU A 70 -35.113 50.231 -9.530 1.00 52.54 O ATOM 997 CB GLU A 70 -35.411 52.874 -10.076 1.00 41.03 C ATOM 998 CG GLU A 70 -34.490 54.061 -9.851 1.00 44.33 C ATOM 999 CD GLU A 70 -35.237 55.380 -9.808 1.00 72.32 C ATOM 1000 OE1 GLU A 70 -36.400 55.387 -9.353 1.00 30.00 O ATOM 1001 OE2 GLU A 70 -34.660 56.403 -10.231 1.00 65.43 O ATOM 0 H GLU A 70 -35.307 52.327 -13.234 1.00 72.23 H new ATOM 0 HA GLU A 70 -33.935 52.214 -11.492 1.00 21.33 H new ATOM 0 HB2 GLU A 70 -36.412 53.240 -10.303 1.00 41.03 H new ATOM 0 HB3 GLU A 70 -35.483 52.300 -9.152 1.00 41.03 H new ATOM 0 HG2 GLU A 70 -33.949 53.924 -8.915 1.00 44.33 H new ATOM 0 HG3 GLU A 70 -33.746 54.095 -10.647 1.00 44.33 H new ATOM 1008 N GLY A 71 -34.781 49.568 -11.654 1.00 51.25 N ATOM 1009 CA GLY A 71 -34.770 48.160 -11.304 1.00 5.43 C ATOM 1010 C GLY A 71 -34.290 47.284 -12.445 1.00 71.21 C ATOM 1011 O GLY A 71 -33.192 46.732 -12.393 1.00 11.43 O ATOM 0 H GLY A 71 -34.647 49.764 -12.646 1.00 51.25 H new ATOM 0 HA2 GLY A 71 -34.126 48.009 -10.438 1.00 5.43 H new ATOM 0 HA3 GLY A 71 -35.774 47.853 -11.012 1.00 5.43 H new ATOM 1015 N GLU A 72 -35.118 47.154 -13.478 1.00 51.31 N ATOM 1016 CA GLU A 72 -34.773 46.336 -14.634 1.00 72.33 C ATOM 1017 C GLU A 72 -35.914 46.317 -15.647 1.00 11.22 C ATOM 1018 O GLU A 72 -37.071 46.193 -15.249 1.00 43.42 O ATOM 1019 CB GLU A 72 -34.442 44.908 -14.196 1.00 3.22 C ATOM 1020 CG GLU A 72 -32.969 44.558 -14.325 1.00 30.12 C ATOM 1021 CD GLU A 72 -32.574 44.217 -15.749 1.00 42.54 C ATOM 1022 OE1 GLU A 72 -33.470 43.872 -16.548 1.00 44.10 O ATOM 1023 OE2 GLU A 72 -31.368 44.297 -16.064 1.00 42.02 O ATOM 0 H GLU A 72 -36.031 47.605 -13.537 1.00 51.31 H new ATOM 0 HA GLU A 72 -33.896 46.775 -15.109 1.00 72.33 H new ATOM 0 HB2 GLU A 72 -34.749 44.775 -13.159 1.00 3.22 H new ATOM 0 HB3 GLU A 72 -35.027 44.209 -14.794 1.00 3.22 H new ATOM 0 HG2 GLU A 72 -32.368 45.398 -13.976 1.00 30.12 H new ATOM 0 HG3 GLU A 72 -32.742 43.712 -13.676 1.00 30.12 H new ATOM 1030 N CYS A 73 -35.567 46.440 -16.920 1.00 33.23 N ATOM 1031 CA CYS A 73 -36.568 46.437 -17.972 1.00 52.33 C ATOM 1032 C CYS A 73 -37.596 45.349 -17.654 1.00 0.30 C ATOM 1033 O CYS A 73 -38.787 45.606 -17.483 1.00 72.11 O ATOM 1034 CB CYS A 73 -35.938 46.241 -19.352 1.00 55.03 C ATOM 1035 SG CYS A 73 -34.620 47.482 -19.620 1.00 53.14 S ATOM 0 H CYS A 73 -34.606 46.542 -17.246 1.00 33.23 H new ATOM 0 HA CYS A 73 -37.065 47.406 -18.007 1.00 52.33 H new ATOM 0 HB2 CYS A 73 -35.524 45.236 -19.433 1.00 55.03 H new ATOM 0 HB3 CYS A 73 -36.700 46.335 -20.126 1.00 55.03 H new ATOM 1040 N SER A 74 -37.104 44.117 -17.580 1.00 31.11 N ATOM 1041 CA SER A 74 -37.956 42.969 -17.288 1.00 2.13 C ATOM 1042 C SER A 74 -38.000 42.694 -15.788 1.00 44.51 C ATOM 1043 O SER A 74 -39.071 42.505 -15.212 1.00 62.23 O ATOM 1044 CB SER A 74 -37.451 41.730 -18.031 1.00 12.32 C ATOM 1045 OG SER A 74 -36.172 41.340 -17.561 1.00 0.03 O ATOM 0 H SER A 74 -36.120 43.887 -17.718 1.00 31.11 H new ATOM 0 HA SER A 74 -38.966 43.201 -17.627 1.00 2.13 H new ATOM 0 HB2 SER A 74 -38.156 40.910 -17.898 1.00 12.32 H new ATOM 0 HB3 SER A 74 -37.401 41.938 -19.100 1.00 12.32 H new ATOM 0 HG SER A 74 -35.872 40.545 -18.050 1.00 0.03 H new ATOM 1051 N ALA A 75 -36.828 42.670 -15.161 1.00 51.41 N ATOM 1052 CA ALA A 75 -36.733 42.421 -13.728 1.00 72.13 C ATOM 1053 C ALA A 75 -37.246 41.027 -13.379 1.00 4.54 C ATOM 1054 O ALA A 75 -38.037 40.860 -12.453 1.00 74.51 O ATOM 1055 CB ALA A 75 -37.507 43.478 -12.955 1.00 73.32 C ATOM 0 H ALA A 75 -35.931 42.820 -15.623 1.00 51.41 H new ATOM 0 HA ALA A 75 -35.682 42.476 -13.444 1.00 72.13 H new ATOM 0 HB1 ALA A 75 -37.427 43.279 -11.886 1.00 73.32 H new ATOM 0 HB2 ALA A 75 -37.094 44.463 -13.172 1.00 73.32 H new ATOM 0 HB3 ALA A 75 -38.556 43.451 -13.251 1.00 73.32 H new ATOM 1061 N VAL A 76 -36.787 40.029 -14.130 1.00 73.34 N ATOM 1062 CA VAL A 76 -37.200 38.650 -13.898 1.00 62.22 C ATOM 1063 C VAL A 76 -36.894 38.217 -12.470 1.00 71.40 C ATOM 1064 O VAL A 76 -36.347 38.985 -11.680 1.00 13.43 O ATOM 1065 CB VAL A 76 -36.502 37.685 -14.876 1.00 21.23 C ATOM 1066 CG1 VAL A 76 -35.158 37.240 -14.319 1.00 50.13 C ATOM 1067 CG2 VAL A 76 -37.391 36.485 -15.166 1.00 54.10 C ATOM 0 H VAL A 76 -36.131 40.150 -14.902 1.00 73.34 H new ATOM 0 HA VAL A 76 -38.277 38.609 -14.063 1.00 62.22 H new ATOM 0 HB VAL A 76 -36.324 38.212 -15.814 1.00 21.23 H new ATOM 0 HG11 VAL A 76 -34.680 36.559 -15.023 1.00 50.13 H new ATOM 0 HG12 VAL A 76 -34.521 38.111 -14.167 1.00 50.13 H new ATOM 0 HG13 VAL A 76 -35.309 36.730 -13.367 1.00 50.13 H new ATOM 0 HG21 VAL A 76 -36.882 35.814 -15.858 1.00 54.10 H new ATOM 0 HG22 VAL A 76 -37.602 35.956 -14.237 1.00 54.10 H new ATOM 0 HG23 VAL A 76 -38.326 36.824 -15.611 1.00 54.10 H new ATOM 1077 N PHE A 77 -37.252 36.978 -12.142 1.00 4.42 N ATOM 1078 CA PHE A 77 -37.017 36.442 -10.807 1.00 4.55 C ATOM 1079 C PHE A 77 -35.823 35.491 -10.805 1.00 43.14 C ATOM 1080 O PHE A 77 -35.405 35.003 -11.854 1.00 61.11 O ATOM 1081 CB PHE A 77 -38.264 35.714 -10.300 1.00 4.43 C ATOM 1082 CG PHE A 77 -39.082 36.528 -9.340 1.00 75.24 C ATOM 1083 CD1 PHE A 77 -39.963 37.492 -9.804 1.00 43.11 C ATOM 1084 CD2 PHE A 77 -38.974 36.330 -7.973 1.00 24.25 C ATOM 1085 CE1 PHE A 77 -40.719 38.242 -8.924 1.00 32.41 C ATOM 1086 CE2 PHE A 77 -39.728 37.075 -7.089 1.00 13.34 C ATOM 1087 CZ PHE A 77 -40.601 38.034 -7.563 1.00 53.03 C ATOM 0 H PHE A 77 -37.706 36.328 -12.783 1.00 4.42 H new ATOM 0 HA PHE A 77 -36.796 37.276 -10.141 1.00 4.55 H new ATOM 0 HB2 PHE A 77 -38.886 35.438 -11.152 1.00 4.43 H new ATOM 0 HB3 PHE A 77 -37.961 34.787 -9.813 1.00 4.43 H new ATOM 0 HD1 PHE A 77 -40.060 37.659 -10.867 1.00 43.11 H new ATOM 0 HD2 PHE A 77 -38.291 35.584 -7.594 1.00 24.25 H new ATOM 0 HE1 PHE A 77 -41.402 38.990 -9.299 1.00 32.41 H new ATOM 0 HE2 PHE A 77 -39.635 36.908 -6.026 1.00 13.34 H new ATOM 0 HZ PHE A 77 -41.190 38.620 -6.872 1.00 53.03 H new ATOM 1097 N GLU A 78 -35.280 35.235 -9.620 1.00 3.05 N ATOM 1098 CA GLU A 78 -34.133 34.344 -9.482 1.00 34.51 C ATOM 1099 C GLU A 78 -34.306 33.418 -8.281 1.00 65.41 C ATOM 1100 O GLU A 78 -34.837 33.818 -7.246 1.00 2.44 O ATOM 1101 CB GLU A 78 -32.844 35.155 -9.332 1.00 52.51 C ATOM 1102 CG GLU A 78 -31.927 35.065 -10.540 1.00 13.04 C ATOM 1103 CD GLU A 78 -30.647 34.306 -10.245 1.00 54.34 C ATOM 1104 OE1 GLU A 78 -30.169 34.371 -9.093 1.00 24.02 O ATOM 1105 OE2 GLU A 78 -30.125 33.645 -11.167 1.00 13.33 O ATOM 0 H GLU A 78 -35.615 35.631 -8.742 1.00 3.05 H new ATOM 0 HA GLU A 78 -34.068 33.735 -10.384 1.00 34.51 H new ATOM 0 HB2 GLU A 78 -33.100 36.200 -9.157 1.00 52.51 H new ATOM 0 HB3 GLU A 78 -32.306 34.807 -8.450 1.00 52.51 H new ATOM 0 HG2 GLU A 78 -32.456 34.575 -11.357 1.00 13.04 H new ATOM 0 HG3 GLU A 78 -31.679 36.071 -10.879 1.00 13.04 H new ATOM 1112 N ALA A 79 -33.854 32.177 -8.430 1.00 53.02 N ATOM 1113 CA ALA A 79 -33.956 31.194 -7.358 1.00 71.43 C ATOM 1114 C ALA A 79 -32.842 31.378 -6.335 1.00 71.11 C ATOM 1115 O ALA A 79 -31.662 31.225 -6.653 1.00 11.22 O ATOM 1116 CB ALA A 79 -33.922 29.785 -7.931 1.00 64.40 C ATOM 0 H ALA A 79 -33.414 31.829 -9.282 1.00 53.02 H new ATOM 0 HA ALA A 79 -34.908 31.346 -6.849 1.00 71.43 H new ATOM 0 HB1 ALA A 79 -33.999 29.061 -7.120 1.00 64.40 H new ATOM 0 HB2 ALA A 79 -34.758 29.651 -8.618 1.00 64.40 H new ATOM 0 HB3 ALA A 79 -32.985 29.632 -8.466 1.00 64.40 H new ATOM 1122 N SER A 80 -33.223 31.709 -5.105 1.00 32.24 N ATOM 1123 CA SER A 80 -32.254 31.919 -4.036 1.00 1.01 C ATOM 1124 C SER A 80 -32.191 30.705 -3.114 1.00 71.51 C ATOM 1125 O SER A 80 -33.211 30.252 -2.597 1.00 31.22 O ATOM 1126 CB SER A 80 -32.616 33.167 -3.228 1.00 63.15 C ATOM 1127 OG SER A 80 -31.821 33.268 -2.061 1.00 4.04 O ATOM 0 H SER A 80 -34.195 31.837 -4.825 1.00 32.24 H new ATOM 0 HA SER A 80 -31.274 32.061 -4.491 1.00 1.01 H new ATOM 0 HB2 SER A 80 -32.477 34.055 -3.844 1.00 63.15 H new ATOM 0 HB3 SER A 80 -33.670 33.132 -2.952 1.00 63.15 H new ATOM 0 HG SER A 80 -32.071 34.074 -1.564 1.00 4.04 H new TER 1133 SER A 80 HETATM 1134 ZN ZN A 201 -36.161 65.871 -23.247 1.00 50.12 ZN HETATM 1135 ZN ZN A 401 -35.085 49.618 -18.986 1.00 11.23 ZN