USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 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 Set 1.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0297 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-1.3!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.46) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.315 K(o=-0.32,f=-3.5!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.3!) USER MOD Single : A 13 GLN : amide:sc= -0.199 K(o=-0.2,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= -1.56! K(o=-1.6!,f=-0.79) USER MOD Single : A 23 MET CE :methyl -144:sc= -2.15 (180deg=-2.94!) USER MOD Single : A 43 GLN : amide:sc= 0.243! C(o=0.24!,f=-6.6!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 40:sc= 1.05 USER MOD Single : A 69 HIS : no HD1:sc= -6.02! K(o=-6!,f=-1.2) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.258 80.352 -75.606 1.00 60.34 N ATOM 2 CA GLY A 1 -38.998 80.304 -74.888 1.00 60.14 C ATOM 3 C GLY A 1 -38.777 78.976 -74.192 1.00 60.53 C ATOM 4 O GLY A 1 -39.734 78.287 -73.834 1.00 44.01 O ATOM 0 H1 GLY A 1 -40.081 80.249 -76.626 1.00 60.34 H new ATOM 0 H2 GLY A 1 -40.872 79.578 -75.281 1.00 60.34 H new ATOM 0 H3 GLY A 1 -40.725 81.264 -75.426 1.00 60.34 H new ATOM 0 HA2 GLY A 1 -38.180 80.486 -75.584 1.00 60.14 H new ATOM 0 HA3 GLY A 1 -38.973 81.106 -74.150 1.00 60.14 H new ATOM 8 N HIS A 2 -37.513 78.614 -74.000 1.00 33.31 N ATOM 9 CA HIS A 2 -37.169 77.357 -73.343 1.00 63.15 C ATOM 10 C HIS A 2 -36.621 77.610 -71.942 1.00 3.23 C ATOM 11 O HIS A 2 -35.847 78.542 -71.726 1.00 65.41 O ATOM 12 CB HIS A 2 -36.142 76.587 -74.174 1.00 3.31 C ATOM 13 CG HIS A 2 -35.418 75.529 -73.401 1.00 52.24 C ATOM 14 ND1 HIS A 2 -34.343 75.799 -72.580 1.00 22.12 N ATOM 15 CD2 HIS A 2 -35.622 74.193 -73.324 1.00 50.00 C ATOM 16 CE1 HIS A 2 -33.915 74.674 -72.035 1.00 15.43 C ATOM 17 NE2 HIS A 2 -34.674 73.685 -72.469 1.00 54.23 N ATOM 0 H HIS A 2 -36.710 79.172 -74.290 1.00 33.31 H new ATOM 0 HA HIS A 2 -38.077 76.759 -73.257 1.00 63.15 H new ATOM 0 HB2 HIS A 2 -36.647 76.124 -75.022 1.00 3.31 H new ATOM 0 HB3 HIS A 2 -35.415 77.290 -74.580 1.00 3.31 H new ATOM 0 HD2 HIS A 2 -36.387 73.631 -73.839 1.00 50.00 H new ATOM 0 HE1 HIS A 2 -33.085 74.580 -71.351 1.00 15.43 H new ATOM 0 HE2 HIS A 2 -34.573 72.703 -72.211 1.00 54.23 H new ATOM 25 N MET A 3 -37.029 76.773 -70.993 1.00 44.51 N ATOM 26 CA MET A 3 -36.578 76.906 -69.613 1.00 4.12 C ATOM 27 C MET A 3 -36.188 75.549 -69.034 1.00 62.42 C ATOM 28 O MET A 3 -36.558 74.506 -69.572 1.00 60.13 O ATOM 29 CB MET A 3 -37.670 77.545 -68.756 1.00 74.13 C ATOM 30 CG MET A 3 -37.804 79.045 -68.959 1.00 51.15 C ATOM 31 SD MET A 3 -36.376 79.960 -68.348 1.00 71.32 S ATOM 32 CE MET A 3 -36.783 81.620 -68.884 1.00 5.34 C ATOM 0 H MET A 3 -37.670 75.997 -71.155 1.00 44.51 H new ATOM 0 HA MET A 3 -35.698 77.550 -69.606 1.00 4.12 H new ATOM 0 HB2 MET A 3 -38.624 77.069 -68.984 1.00 74.13 H new ATOM 0 HB3 MET A 3 -37.458 77.347 -67.705 1.00 74.13 H new ATOM 0 HG2 MET A 3 -37.937 79.253 -70.021 1.00 51.15 H new ATOM 0 HG3 MET A 3 -38.701 79.398 -68.450 1.00 51.15 H new ATOM 0 HE1 MET A 3 -35.992 82.305 -68.579 1.00 5.34 H new ATOM 0 HE2 MET A 3 -36.880 81.638 -69.969 1.00 5.34 H new ATOM 0 HE3 MET A 3 -37.725 81.928 -68.430 1.00 5.34 H new ATOM 42 N GLY A 4 -35.441 75.571 -67.936 1.00 60.13 N ATOM 43 CA GLY A 4 -35.015 74.336 -67.304 1.00 31.13 C ATOM 44 C GLY A 4 -33.929 74.558 -66.270 1.00 35.11 C ATOM 45 O GLY A 4 -32.919 73.855 -66.261 1.00 13.51 O ATOM 0 H GLY A 4 -35.123 76.422 -67.472 1.00 60.13 H new ATOM 0 HA2 GLY A 4 -35.873 73.860 -66.829 1.00 31.13 H new ATOM 0 HA3 GLY A 4 -34.651 73.648 -68.067 1.00 31.13 H new ATOM 49 N GLU A 5 -34.136 75.539 -65.397 1.00 45.23 N ATOM 50 CA GLU A 5 -33.164 75.853 -64.357 1.00 44.32 C ATOM 51 C GLU A 5 -33.438 75.043 -63.094 1.00 74.31 C ATOM 52 O GLU A 5 -32.956 75.378 -62.012 1.00 71.41 O ATOM 53 CB GLU A 5 -33.195 77.348 -64.033 1.00 50.24 C ATOM 54 CG GLU A 5 -34.442 77.783 -63.280 1.00 1.23 C ATOM 55 CD GLU A 5 -34.124 78.396 -61.930 1.00 11.53 C ATOM 56 OE1 GLU A 5 -33.032 78.987 -61.791 1.00 10.35 O ATOM 57 OE2 GLU A 5 -34.966 78.284 -61.015 1.00 5.54 O ATOM 0 H GLU A 5 -34.968 76.129 -65.390 1.00 45.23 H new ATOM 0 HA GLU A 5 -32.174 75.590 -64.730 1.00 44.32 H new ATOM 0 HB2 GLU A 5 -32.316 77.601 -63.440 1.00 50.24 H new ATOM 0 HB3 GLU A 5 -33.126 77.914 -64.962 1.00 50.24 H new ATOM 0 HG2 GLU A 5 -34.992 78.506 -63.883 1.00 1.23 H new ATOM 0 HG3 GLU A 5 -35.096 76.922 -63.139 1.00 1.23 H new ATOM 64 N GLU A 6 -34.218 73.975 -63.240 1.00 44.41 N ATOM 65 CA GLU A 6 -34.557 73.117 -62.112 1.00 11.25 C ATOM 66 C GLU A 6 -33.372 72.238 -61.720 1.00 73.12 C ATOM 67 O GLU A 6 -32.513 71.935 -62.546 1.00 2.32 O ATOM 68 CB GLU A 6 -35.765 72.242 -62.452 1.00 24.12 C ATOM 69 CG GLU A 6 -37.098 72.886 -62.112 1.00 72.14 C ATOM 70 CD GLU A 6 -38.273 72.161 -62.741 1.00 14.10 C ATOM 71 OE1 GLU A 6 -38.095 71.570 -63.826 1.00 54.23 O ATOM 72 OE2 GLU A 6 -39.371 72.184 -62.145 1.00 54.31 O ATOM 0 H GLU A 6 -34.626 73.685 -64.129 1.00 44.41 H new ATOM 0 HA GLU A 6 -34.808 73.757 -61.266 1.00 11.25 H new ATOM 0 HB2 GLU A 6 -35.745 72.008 -63.516 1.00 24.12 H new ATOM 0 HB3 GLU A 6 -35.681 71.297 -61.916 1.00 24.12 H new ATOM 0 HG2 GLU A 6 -37.224 72.903 -61.029 1.00 72.14 H new ATOM 0 HG3 GLU A 6 -37.093 73.923 -62.449 1.00 72.14 H new ATOM 79 N GLN A 7 -33.336 71.833 -60.455 1.00 52.43 N ATOM 80 CA GLN A 7 -32.257 70.990 -59.953 1.00 13.31 C ATOM 81 C GLN A 7 -32.427 69.551 -60.425 1.00 44.05 C ATOM 82 O GLN A 7 -33.509 69.152 -60.856 1.00 3.33 O ATOM 83 CB GLN A 7 -32.213 71.037 -58.425 1.00 34.40 C ATOM 84 CG GLN A 7 -31.233 72.060 -57.874 1.00 73.30 C ATOM 85 CD GLN A 7 -31.921 73.177 -57.115 1.00 54.40 C ATOM 86 OE1 GLN A 7 -33.014 73.612 -57.481 1.00 33.21 O ATOM 87 NE2 GLN A 7 -31.283 73.650 -56.050 1.00 31.41 N ATOM 0 H GLN A 7 -34.041 72.075 -59.759 1.00 52.43 H new ATOM 0 HA GLN A 7 -31.316 71.374 -60.348 1.00 13.31 H new ATOM 0 HB2 GLN A 7 -33.211 71.263 -58.048 1.00 34.40 H new ATOM 0 HB3 GLN A 7 -31.945 70.050 -58.047 1.00 34.40 H new ATOM 0 HG2 GLN A 7 -30.525 71.560 -57.214 1.00 73.30 H new ATOM 0 HG3 GLN A 7 -30.657 72.485 -58.696 1.00 73.30 H new ATOM 0 HE21 GLN A 7 -30.379 73.260 -55.782 1.00 31.41 H new ATOM 0 HE22 GLN A 7 -31.697 74.403 -55.500 1.00 31.41 H new ATOM 96 N TYR A 8 -31.351 68.777 -60.343 1.00 34.42 N ATOM 97 CA TYR A 8 -31.381 67.381 -60.764 1.00 61.34 C ATOM 98 C TYR A 8 -32.230 66.542 -59.815 1.00 22.12 C ATOM 99 O TYR A 8 -32.270 66.795 -58.612 1.00 74.31 O ATOM 100 CB TYR A 8 -29.960 66.816 -60.829 1.00 61.31 C ATOM 101 CG TYR A 8 -29.583 66.280 -62.191 1.00 0.00 C ATOM 102 CD1 TYR A 8 -30.338 65.287 -62.803 1.00 43.23 C ATOM 103 CD2 TYR A 8 -28.472 66.769 -62.868 1.00 75.14 C ATOM 104 CE1 TYR A 8 -29.996 64.794 -64.048 1.00 0.44 C ATOM 105 CE2 TYR A 8 -28.123 66.282 -64.114 1.00 2.42 C ATOM 106 CZ TYR A 8 -28.889 65.296 -64.699 1.00 1.13 C ATOM 107 OH TYR A 8 -28.545 64.808 -65.939 1.00 75.13 O ATOM 0 H TYR A 8 -30.448 69.092 -59.989 1.00 34.42 H new ATOM 0 HA TYR A 8 -31.829 67.338 -61.757 1.00 61.34 H new ATOM 0 HB2 TYR A 8 -29.254 67.597 -60.547 1.00 61.31 H new ATOM 0 HB3 TYR A 8 -29.862 66.017 -60.094 1.00 61.31 H new ATOM 0 HD1 TYR A 8 -31.207 64.894 -62.297 1.00 43.23 H new ATOM 0 HD2 TYR A 8 -27.871 67.543 -62.413 1.00 75.14 H new ATOM 0 HE1 TYR A 8 -30.592 64.020 -64.508 1.00 0.44 H new ATOM 0 HE2 TYR A 8 -27.256 66.672 -64.626 1.00 2.42 H new ATOM 0 HH TYR A 8 -27.741 65.268 -66.260 1.00 75.13 H new ATOM 117 N ASN A 9 -32.909 65.541 -60.366 1.00 62.44 N ATOM 118 CA ASN A 9 -33.760 64.664 -59.570 1.00 25.12 C ATOM 119 C ASN A 9 -32.979 64.058 -58.408 1.00 51.44 C ATOM 120 O ASN A 9 -31.776 64.288 -58.267 1.00 15.21 O ATOM 121 CB ASN A 9 -34.338 63.550 -60.444 1.00 72.23 C ATOM 122 CG ASN A 9 -35.717 63.114 -59.987 1.00 31.33 C ATOM 123 OD1 ASN A 9 -36.283 63.684 -59.053 1.00 63.33 O ATOM 124 ND2 ASN A 9 -36.264 62.097 -60.643 1.00 33.43 N ATOM 0 H ASN A 9 -32.886 65.317 -61.361 1.00 62.44 H new ATOM 0 HA ASN A 9 -34.577 65.261 -59.165 1.00 25.12 H new ATOM 0 HB2 ASN A 9 -34.392 63.893 -61.477 1.00 72.23 H new ATOM 0 HB3 ASN A 9 -33.665 62.693 -60.428 1.00 72.23 H new ATOM 0 HD21 ASN A 9 -37.189 61.758 -60.379 1.00 33.43 H new ATOM 0 HD22 ASN A 9 -35.759 61.655 -61.411 1.00 33.43 H new ATOM 131 N ARG A 10 -33.670 63.285 -57.576 1.00 62.54 N ATOM 132 CA ARG A 10 -33.042 62.647 -56.426 1.00 13.41 C ATOM 133 C ARG A 10 -33.835 61.421 -55.982 1.00 62.22 C ATOM 134 O ARG A 10 -35.049 61.351 -56.178 1.00 1.34 O ATOM 135 CB ARG A 10 -32.926 63.639 -55.267 1.00 4.34 C ATOM 136 CG ARG A 10 -31.872 63.256 -54.241 1.00 33.04 C ATOM 137 CD ARG A 10 -31.245 64.485 -53.600 1.00 53.25 C ATOM 138 NE ARG A 10 -29.796 64.518 -53.778 1.00 42.21 N ATOM 139 CZ ARG A 10 -29.201 64.925 -54.894 1.00 53.50 C ATOM 140 NH1 ARG A 10 -29.929 65.336 -55.925 1.00 31.45 N ATOM 141 NH2 ARG A 10 -27.878 64.925 -54.979 1.00 62.11 N ATOM 0 H ARG A 10 -34.665 63.086 -57.677 1.00 62.54 H new ATOM 0 HA ARG A 10 -32.044 62.324 -56.722 1.00 13.41 H new ATOM 0 HB2 ARG A 10 -32.691 64.625 -55.666 1.00 4.34 H new ATOM 0 HB3 ARG A 10 -33.893 63.719 -54.770 1.00 4.34 H new ATOM 0 HG2 ARG A 10 -32.324 62.632 -53.469 1.00 33.04 H new ATOM 0 HG3 ARG A 10 -31.096 62.659 -54.720 1.00 33.04 H new ATOM 0 HD2 ARG A 10 -31.684 65.383 -54.034 1.00 53.25 H new ATOM 0 HD3 ARG A 10 -31.480 64.498 -52.536 1.00 53.25 H new ATOM 0 HE ARG A 10 -29.208 64.212 -53.003 1.00 42.21 H new ATOM 0 HH11 ARG A 10 -30.947 65.340 -55.861 1.00 31.45 H new ATOM 0 HH12 ARG A 10 -29.470 65.648 -56.781 1.00 31.45 H new ATOM 0 HH21 ARG A 10 -27.316 64.612 -54.187 1.00 62.11 H new ATOM 0 HH22 ARG A 10 -27.422 65.238 -55.836 1.00 62.11 H new ATOM 155 N TYR A 11 -33.142 60.458 -55.387 1.00 1.43 N ATOM 156 CA TYR A 11 -33.781 59.233 -54.919 1.00 45.44 C ATOM 157 C TYR A 11 -34.299 59.399 -53.493 1.00 4.02 C ATOM 158 O TYR A 11 -34.007 60.393 -52.828 1.00 20.14 O ATOM 159 CB TYR A 11 -32.798 58.064 -54.983 1.00 71.24 C ATOM 160 CG TYR A 11 -33.358 56.841 -55.676 1.00 43.32 C ATOM 161 CD1 TYR A 11 -34.069 55.881 -54.965 1.00 23.11 C ATOM 162 CD2 TYR A 11 -33.173 56.644 -57.039 1.00 35.23 C ATOM 163 CE1 TYR A 11 -34.581 54.763 -55.593 1.00 74.40 C ATOM 164 CE2 TYR A 11 -33.683 55.529 -57.674 1.00 35.01 C ATOM 165 CZ TYR A 11 -34.387 54.591 -56.948 1.00 24.32 C ATOM 166 OH TYR A 11 -34.895 53.478 -57.576 1.00 34.31 O ATOM 0 H TYR A 11 -32.137 60.501 -55.217 1.00 1.43 H new ATOM 0 HA TYR A 11 -34.628 59.023 -55.572 1.00 45.44 H new ATOM 0 HB2 TYR A 11 -31.896 58.386 -55.504 1.00 71.24 H new ATOM 0 HB3 TYR A 11 -32.501 57.794 -53.970 1.00 71.24 H new ATOM 0 HD1 TYR A 11 -34.223 56.012 -53.904 1.00 23.11 H new ATOM 0 HD2 TYR A 11 -32.621 57.375 -57.611 1.00 35.23 H new ATOM 0 HE1 TYR A 11 -35.131 54.026 -55.026 1.00 74.40 H new ATOM 0 HE2 TYR A 11 -33.531 55.392 -58.734 1.00 35.01 H new ATOM 0 HH TYR A 11 -34.671 53.510 -58.530 1.00 34.31 H new ATOM 176 N GLN A 12 -35.067 58.418 -53.032 1.00 44.11 N ATOM 177 CA GLN A 12 -35.625 58.455 -51.685 1.00 62.34 C ATOM 178 C GLN A 12 -34.572 58.079 -50.649 1.00 1.22 C ATOM 179 O GLN A 12 -34.295 58.844 -49.726 1.00 55.53 O ATOM 180 CB GLN A 12 -36.822 57.507 -51.580 1.00 65.44 C ATOM 181 CG GLN A 12 -38.090 58.181 -51.081 1.00 22.33 C ATOM 182 CD GLN A 12 -38.949 58.716 -52.208 1.00 51.31 C ATOM 183 OE1 GLN A 12 -38.985 58.149 -53.301 1.00 32.12 O ATOM 184 NE2 GLN A 12 -39.650 59.814 -51.949 1.00 24.43 N ATOM 0 H GLN A 12 -35.317 57.588 -53.570 1.00 44.11 H new ATOM 0 HA GLN A 12 -35.958 59.473 -51.485 1.00 62.34 H new ATOM 0 HB2 GLN A 12 -37.015 57.069 -52.559 1.00 65.44 H new ATOM 0 HB3 GLN A 12 -36.568 56.687 -50.908 1.00 65.44 H new ATOM 0 HG2 GLN A 12 -38.669 57.468 -50.495 1.00 22.33 H new ATOM 0 HG3 GLN A 12 -37.823 59.000 -50.413 1.00 22.33 H new ATOM 0 HE21 GLN A 12 -39.591 60.252 -51.030 1.00 24.43 H new ATOM 0 HE22 GLN A 12 -40.247 60.219 -52.669 1.00 24.43 H new ATOM 193 N GLN A 13 -33.988 56.897 -50.809 1.00 24.12 N ATOM 194 CA GLN A 13 -32.964 56.419 -49.885 1.00 74.23 C ATOM 195 C GLN A 13 -33.544 56.211 -48.491 1.00 72.12 C ATOM 196 O GLN A 13 -32.923 56.565 -47.489 1.00 63.03 O ATOM 197 CB GLN A 13 -31.800 57.411 -49.824 1.00 62.25 C ATOM 198 CG GLN A 13 -30.666 57.078 -50.779 1.00 70.43 C ATOM 199 CD GLN A 13 -29.527 56.343 -50.102 1.00 14.53 C ATOM 200 OE1 GLN A 13 -29.297 56.502 -48.903 1.00 54.51 O ATOM 201 NE2 GLN A 13 -28.807 55.533 -50.867 1.00 61.51 N ATOM 0 H GLN A 13 -34.205 56.252 -51.569 1.00 24.12 H new ATOM 0 HA GLN A 13 -32.597 55.461 -50.252 1.00 74.23 H new ATOM 0 HB2 GLN A 13 -32.173 58.410 -50.050 1.00 62.25 H new ATOM 0 HB3 GLN A 13 -31.410 57.439 -48.806 1.00 62.25 H new ATOM 0 HG2 GLN A 13 -31.052 56.468 -51.596 1.00 70.43 H new ATOM 0 HG3 GLN A 13 -30.287 57.999 -51.221 1.00 70.43 H new ATOM 0 HE21 GLN A 13 -29.033 55.431 -51.856 1.00 61.51 H new ATOM 0 HE22 GLN A 13 -28.027 55.012 -50.466 1.00 61.51 H new ATOM 210 N TYR A 14 -34.739 55.633 -48.432 1.00 62.52 N ATOM 211 CA TYR A 14 -35.405 55.380 -47.161 1.00 70.24 C ATOM 212 C TYR A 14 -35.098 53.973 -46.656 1.00 10.40 C ATOM 213 O TYR A 14 -34.590 53.132 -47.396 1.00 43.41 O ATOM 214 CB TYR A 14 -36.917 55.562 -47.307 1.00 22.11 C ATOM 215 CG TYR A 14 -37.526 56.445 -46.241 1.00 73.22 C ATOM 216 CD1 TYR A 14 -37.375 57.824 -46.283 1.00 52.41 C ATOM 217 CD2 TYR A 14 -38.254 55.897 -45.192 1.00 30.52 C ATOM 218 CE1 TYR A 14 -37.930 58.634 -45.311 1.00 43.01 C ATOM 219 CE2 TYR A 14 -38.814 56.698 -44.217 1.00 12.34 C ATOM 220 CZ TYR A 14 -38.649 58.066 -44.280 1.00 3.44 C ATOM 221 OH TYR A 14 -39.204 58.870 -43.311 1.00 14.24 O ATOM 0 H TYR A 14 -35.266 55.331 -49.251 1.00 62.52 H new ATOM 0 HA TYR A 14 -35.028 56.099 -46.434 1.00 70.24 H new ATOM 0 HB2 TYR A 14 -37.130 55.990 -48.287 1.00 22.11 H new ATOM 0 HB3 TYR A 14 -37.397 54.584 -47.275 1.00 22.11 H new ATOM 0 HD1 TYR A 14 -36.814 58.272 -47.090 1.00 52.41 H new ATOM 0 HD2 TYR A 14 -38.384 54.826 -45.138 1.00 30.52 H new ATOM 0 HE1 TYR A 14 -37.802 59.705 -45.358 1.00 43.01 H new ATOM 0 HE2 TYR A 14 -39.378 56.256 -43.409 1.00 12.34 H new ATOM 0 HH TYR A 14 -39.679 58.315 -42.658 1.00 14.24 H new ATOM 231 N GLY A 15 -35.411 53.725 -45.388 1.00 31.03 N ATOM 232 CA GLY A 15 -35.163 52.420 -44.804 1.00 4.13 C ATOM 233 C GLY A 15 -34.277 52.495 -43.575 1.00 71.34 C ATOM 234 O GLY A 15 -33.686 53.534 -43.289 1.00 12.52 O ATOM 0 H GLY A 15 -35.832 54.405 -44.755 1.00 31.03 H new ATOM 0 HA2 GLY A 15 -36.113 51.959 -44.536 1.00 4.13 H new ATOM 0 HA3 GLY A 15 -34.694 51.775 -45.548 1.00 4.13 H new ATOM 238 N ALA A 16 -34.188 51.387 -42.844 1.00 53.44 N ATOM 239 CA ALA A 16 -33.370 51.331 -41.640 1.00 30.24 C ATOM 240 C ALA A 16 -32.328 50.222 -41.735 1.00 43.21 C ATOM 241 O ALA A 16 -32.563 49.190 -42.364 1.00 43.45 O ATOM 242 CB ALA A 16 -34.248 51.129 -40.414 1.00 42.40 C ATOM 0 H ALA A 16 -34.673 50.517 -43.066 1.00 53.44 H new ATOM 0 HA ALA A 16 -32.844 52.281 -41.544 1.00 30.24 H new ATOM 0 HB1 ALA A 16 -33.623 51.089 -39.522 1.00 42.40 H new ATOM 0 HB2 ALA A 16 -34.950 51.958 -40.329 1.00 42.40 H new ATOM 0 HB3 ALA A 16 -34.801 50.195 -40.512 1.00 42.40 H new ATOM 248 N GLU A 17 -31.176 50.442 -41.108 1.00 43.53 N ATOM 249 CA GLU A 17 -30.098 49.459 -41.125 1.00 1.50 C ATOM 250 C GLU A 17 -30.256 48.460 -39.983 1.00 64.43 C ATOM 251 O GLU A 17 -30.323 47.252 -40.208 1.00 45.01 O ATOM 252 CB GLU A 17 -28.740 50.159 -41.023 1.00 51.24 C ATOM 253 CG GLU A 17 -27.685 49.576 -41.948 1.00 50.01 C ATOM 254 CD GLU A 17 -26.430 50.425 -42.008 1.00 34.42 C ATOM 255 OE1 GLU A 17 -26.116 51.091 -41.000 1.00 55.00 O ATOM 256 OE2 GLU A 17 -25.762 50.422 -43.063 1.00 10.11 O ATOM 0 H GLU A 17 -30.965 51.291 -40.583 1.00 43.53 H new ATOM 0 HA GLU A 17 -30.149 48.916 -42.069 1.00 1.50 H new ATOM 0 HB2 GLU A 17 -28.868 51.217 -41.252 1.00 51.24 H new ATOM 0 HB3 GLU A 17 -28.384 50.096 -39.995 1.00 51.24 H new ATOM 0 HG2 GLU A 17 -27.425 48.573 -41.610 1.00 50.01 H new ATOM 0 HG3 GLU A 17 -28.101 49.477 -42.951 1.00 50.01 H new ATOM 263 N GLU A 18 -30.312 48.973 -38.759 1.00 11.42 N ATOM 264 CA GLU A 18 -30.459 48.125 -37.583 1.00 15.41 C ATOM 265 C GLU A 18 -31.746 47.308 -37.658 1.00 13.21 C ATOM 266 O GLU A 18 -32.794 47.816 -38.056 1.00 42.51 O ATOM 267 CB GLU A 18 -30.456 48.975 -36.310 1.00 13.50 C ATOM 268 CG GLU A 18 -29.073 49.176 -35.715 1.00 23.23 C ATOM 269 CD GLU A 18 -29.093 50.041 -34.468 1.00 61.40 C ATOM 270 OE1 GLU A 18 -29.513 51.213 -34.568 1.00 31.43 O ATOM 271 OE2 GLU A 18 -28.689 49.546 -33.396 1.00 64.34 O ATOM 0 H GLU A 18 -30.258 49.971 -38.556 1.00 11.42 H new ATOM 0 HA GLU A 18 -29.614 47.438 -37.555 1.00 15.41 H new ATOM 0 HB2 GLU A 18 -30.891 49.949 -36.533 1.00 13.50 H new ATOM 0 HB3 GLU A 18 -31.097 48.502 -35.566 1.00 13.50 H new ATOM 0 HG2 GLU A 18 -28.642 48.205 -35.472 1.00 23.23 H new ATOM 0 HG3 GLU A 18 -28.424 49.635 -36.461 1.00 23.23 H new ATOM 278 N CYS A 19 -31.658 46.040 -37.273 1.00 4.13 N ATOM 279 CA CYS A 19 -32.814 45.150 -37.299 1.00 12.41 C ATOM 280 C CYS A 19 -32.743 44.134 -36.163 1.00 5.50 C ATOM 281 O CYS A 19 -31.923 43.216 -36.188 1.00 73.05 O ATOM 282 CB CYS A 19 -32.897 44.426 -38.643 1.00 51.42 C ATOM 283 SG CYS A 19 -34.223 45.022 -39.720 1.00 5.14 S ATOM 0 H CYS A 19 -30.798 45.605 -36.939 1.00 4.13 H new ATOM 0 HA CYS A 19 -33.711 45.755 -37.166 1.00 12.41 H new ATOM 0 HB2 CYS A 19 -31.945 44.535 -39.162 1.00 51.42 H new ATOM 0 HB3 CYS A 19 -33.041 43.361 -38.462 1.00 51.42 H new ATOM 0 HG CYS A 19 -34.212 44.351 -40.834 1.00 5.14 H new ATOM 289 N VAL A 20 -33.606 44.306 -35.167 1.00 23.20 N ATOM 290 CA VAL A 20 -33.642 43.405 -34.022 1.00 30.41 C ATOM 291 C VAL A 20 -32.380 43.539 -33.176 1.00 55.25 C ATOM 292 O VAL A 20 -31.786 42.543 -32.765 1.00 12.41 O ATOM 293 CB VAL A 20 -33.794 41.937 -34.468 1.00 10.00 C ATOM 294 CG1 VAL A 20 -34.214 41.065 -33.295 1.00 64.43 C ATOM 295 CG2 VAL A 20 -34.792 41.829 -35.609 1.00 70.45 C ATOM 0 H VAL A 20 -34.290 45.062 -35.130 1.00 23.20 H new ATOM 0 HA VAL A 20 -34.508 43.688 -33.424 1.00 30.41 H new ATOM 0 HB VAL A 20 -32.828 41.581 -34.827 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -34.317 40.032 -33.628 1.00 64.43 H new ATOM 0 HG12 VAL A 20 -33.458 41.120 -32.512 1.00 64.43 H new ATOM 0 HG13 VAL A 20 -35.169 41.417 -32.904 1.00 64.43 H new ATOM 0 HG21 VAL A 20 -34.887 40.786 -35.912 1.00 70.45 H new ATOM 0 HG22 VAL A 20 -35.762 42.202 -35.280 1.00 70.45 H new ATOM 0 HG23 VAL A 20 -34.443 42.422 -36.455 1.00 70.45 H new ATOM 305 N LEU A 21 -31.976 44.778 -32.923 1.00 55.41 N ATOM 306 CA LEU A 21 -30.785 45.046 -32.124 1.00 52.52 C ATOM 307 C LEU A 21 -31.131 45.871 -30.888 1.00 21.22 C ATOM 308 O LEU A 21 -32.190 46.493 -30.822 1.00 63.43 O ATOM 309 CB LEU A 21 -29.739 45.781 -32.965 1.00 34.04 C ATOM 310 CG LEU A 21 -29.049 44.954 -34.050 1.00 71.02 C ATOM 311 CD1 LEU A 21 -29.066 45.697 -35.378 1.00 72.14 C ATOM 312 CD2 LEU A 21 -27.622 44.621 -33.641 1.00 70.52 C ATOM 0 H LEU A 21 -32.455 45.613 -33.259 1.00 55.41 H new ATOM 0 HA LEU A 21 -30.375 44.091 -31.796 1.00 52.52 H new ATOM 0 HB2 LEU A 21 -30.219 46.637 -33.439 1.00 34.04 H new ATOM 0 HB3 LEU A 21 -28.975 46.175 -32.295 1.00 34.04 H new ATOM 0 HG LEU A 21 -29.597 44.020 -34.172 1.00 71.02 H new ATOM 0 HD11 LEU A 21 -28.571 45.094 -36.139 1.00 72.14 H new ATOM 0 HD12 LEU A 21 -30.097 45.883 -35.677 1.00 72.14 H new ATOM 0 HD13 LEU A 21 -28.542 46.647 -35.270 1.00 72.14 H new ATOM 0 HD21 LEU A 21 -27.147 44.032 -34.425 1.00 70.52 H new ATOM 0 HD22 LEU A 21 -27.062 45.544 -33.490 1.00 70.52 H new ATOM 0 HD23 LEU A 21 -27.634 44.048 -32.714 1.00 70.52 H new ATOM 324 N GLN A 22 -30.228 45.871 -29.912 1.00 14.05 N ATOM 325 CA GLN A 22 -30.439 46.620 -28.679 1.00 0.15 C ATOM 326 C GLN A 22 -30.780 48.075 -28.978 1.00 53.32 C ATOM 327 O GLN A 22 -30.570 48.557 -30.090 1.00 61.24 O ATOM 328 CB GLN A 22 -29.192 46.548 -27.795 1.00 22.12 C ATOM 329 CG GLN A 22 -29.492 46.198 -26.347 1.00 2.22 C ATOM 330 CD GLN A 22 -30.277 44.909 -26.209 1.00 32.23 C ATOM 331 OE1 GLN A 22 -29.700 43.828 -26.084 1.00 1.15 O ATOM 332 NE2 GLN A 22 -31.600 45.015 -26.230 1.00 33.23 N ATOM 0 H GLN A 22 -29.345 45.362 -29.951 1.00 14.05 H new ATOM 0 HA GLN A 22 -31.279 46.170 -28.149 1.00 0.15 H new ATOM 0 HB2 GLN A 22 -28.508 45.805 -28.205 1.00 22.12 H new ATOM 0 HB3 GLN A 22 -28.677 47.508 -27.829 1.00 22.12 H new ATOM 0 HG2 GLN A 22 -28.555 46.109 -25.797 1.00 2.22 H new ATOM 0 HG3 GLN A 22 -30.054 47.012 -25.889 1.00 2.22 H new ATOM 0 HE21 GLN A 22 -32.037 45.931 -26.336 1.00 33.23 H new ATOM 0 HE22 GLN A 22 -32.180 44.181 -26.141 1.00 33.23 H new ATOM 341 N MET A 23 -31.308 48.772 -27.977 1.00 15.50 N ATOM 342 CA MET A 23 -31.680 50.174 -28.134 1.00 0.54 C ATOM 343 C MET A 23 -30.459 51.078 -27.992 1.00 44.15 C ATOM 344 O MET A 23 -29.411 50.652 -27.509 1.00 11.13 O ATOM 345 CB MET A 23 -32.738 50.562 -27.099 1.00 0.21 C ATOM 346 CG MET A 23 -33.697 51.636 -27.585 1.00 13.14 C ATOM 347 SD MET A 23 -34.538 51.177 -29.113 1.00 15.22 S ATOM 348 CE MET A 23 -33.525 52.023 -30.325 1.00 54.41 C ATOM 0 H MET A 23 -31.488 48.389 -27.049 1.00 15.50 H new ATOM 0 HA MET A 23 -32.094 50.305 -29.134 1.00 0.54 H new ATOM 0 HB2 MET A 23 -33.308 49.675 -26.824 1.00 0.21 H new ATOM 0 HB3 MET A 23 -32.239 50.913 -26.196 1.00 0.21 H new ATOM 0 HG2 MET A 23 -34.439 51.832 -26.811 1.00 13.14 H new ATOM 0 HG3 MET A 23 -33.148 52.564 -27.742 1.00 13.14 H new ATOM 0 HE1 MET A 23 -34.157 52.392 -31.133 1.00 54.41 H new ATOM 0 HE2 MET A 23 -33.015 52.861 -29.851 1.00 54.41 H new ATOM 0 HE3 MET A 23 -32.787 51.330 -30.729 1.00 54.41 H new ATOM 358 N GLY A 24 -30.602 52.329 -28.420 1.00 64.22 N ATOM 359 CA GLY A 24 -29.503 53.272 -28.334 1.00 44.22 C ATOM 360 C GLY A 24 -29.782 54.559 -29.087 1.00 34.31 C ATOM 361 O GLY A 24 -29.276 55.620 -28.725 1.00 21.12 O ATOM 0 H GLY A 24 -31.459 52.706 -28.825 1.00 64.22 H new ATOM 0 HA2 GLY A 24 -29.307 53.503 -27.287 1.00 44.22 H new ATOM 0 HA3 GLY A 24 -28.600 52.810 -28.733 1.00 44.22 H new ATOM 365 N GLY A 25 -30.589 54.462 -30.139 1.00 45.32 N ATOM 366 CA GLY A 25 -30.918 55.633 -30.929 1.00 43.35 C ATOM 367 C GLY A 25 -32.350 56.087 -30.726 1.00 13.23 C ATOM 368 O GLY A 25 -33.189 55.939 -31.615 1.00 35.15 O ATOM 0 H GLY A 25 -31.020 53.594 -30.458 1.00 45.32 H new ATOM 0 HA2 GLY A 25 -30.242 56.446 -30.666 1.00 43.35 H new ATOM 0 HA3 GLY A 25 -30.756 55.413 -31.984 1.00 43.35 H new ATOM 372 N VAL A 26 -32.633 56.640 -29.551 1.00 0.24 N ATOM 373 CA VAL A 26 -33.974 57.115 -29.231 1.00 13.42 C ATOM 374 C VAL A 26 -33.968 58.607 -28.918 1.00 13.43 C ATOM 375 O VAL A 26 -32.909 59.210 -28.734 1.00 1.45 O ATOM 376 CB VAL A 26 -34.570 56.352 -28.034 1.00 53.51 C ATOM 377 CG1 VAL A 26 -34.689 54.868 -28.351 1.00 51.11 C ATOM 378 CG2 VAL A 26 -33.728 56.573 -26.787 1.00 25.32 C ATOM 0 H VAL A 26 -31.951 56.770 -28.804 1.00 0.24 H new ATOM 0 HA VAL A 26 -34.592 56.934 -30.110 1.00 13.42 H new ATOM 0 HB VAL A 26 -35.571 56.739 -27.842 1.00 53.51 H new ATOM 0 HG11 VAL A 26 -35.112 54.345 -27.493 1.00 51.11 H new ATOM 0 HG12 VAL A 26 -35.339 54.732 -29.216 1.00 51.11 H new ATOM 0 HG13 VAL A 26 -33.701 54.463 -28.572 1.00 51.11 H new ATOM 0 HG21 VAL A 26 -34.165 56.026 -25.951 1.00 25.32 H new ATOM 0 HG22 VAL A 26 -32.714 56.215 -26.965 1.00 25.32 H new ATOM 0 HG23 VAL A 26 -33.701 57.637 -26.550 1.00 25.32 H new ATOM 388 N LEU A 27 -35.157 59.197 -28.855 1.00 14.02 N ATOM 389 CA LEU A 27 -35.290 60.620 -28.562 1.00 5.34 C ATOM 390 C LEU A 27 -36.323 60.856 -27.466 1.00 12.24 C ATOM 391 O LEU A 27 -37.114 59.958 -27.181 1.00 31.41 O ATOM 392 CB LEU A 27 -35.684 61.387 -29.825 1.00 24.02 C ATOM 393 CG LEU A 27 -36.881 60.834 -30.599 1.00 62.44 C ATOM 394 CD1 LEU A 27 -38.063 61.787 -30.507 1.00 41.12 C ATOM 395 CD2 LEU A 27 -36.507 60.585 -32.053 1.00 35.11 C ATOM 0 H LEU A 27 -36.042 58.712 -29.003 1.00 14.02 H new ATOM 0 HA LEU A 27 -34.325 60.985 -28.210 1.00 5.34 H new ATOM 0 HB2 LEU A 27 -35.901 62.418 -29.547 1.00 24.02 H new ATOM 0 HB3 LEU A 27 -34.824 61.412 -30.494 1.00 24.02 H new ATOM 0 HG LEU A 27 -37.171 59.884 -30.151 1.00 62.44 H new ATOM 0 HD11 LEU A 27 -38.905 61.377 -31.064 1.00 41.12 H new ATOM 0 HD12 LEU A 27 -38.346 61.915 -29.462 1.00 41.12 H new ATOM 0 HD13 LEU A 27 -37.785 62.753 -30.929 1.00 41.12 H new ATOM 0 HD21 LEU A 27 -37.371 60.192 -32.589 1.00 35.11 H new ATOM 0 HD22 LEU A 27 -36.190 61.521 -32.513 1.00 35.11 H new ATOM 0 HD23 LEU A 27 -35.691 59.864 -32.100 1.00 35.11 H new ATOM 407 N CYS A 28 -36.297 62.046 -26.884 1.00 54.33 N ATOM 408 CA CYS A 28 -37.238 62.383 -25.829 1.00 1.51 C ATOM 409 C CYS A 28 -38.655 62.257 -26.390 1.00 50.44 C ATOM 410 O CYS A 28 -38.976 62.693 -27.498 1.00 24.15 O ATOM 411 CB CYS A 28 -36.971 63.777 -25.258 1.00 2.43 C ATOM 412 SG CYS A 28 -36.949 63.710 -23.429 1.00 12.54 S ATOM 0 H CYS A 28 -35.640 62.788 -27.123 1.00 54.33 H new ATOM 0 HA CYS A 28 -37.117 61.691 -24.995 1.00 1.51 H new ATOM 0 HB2 CYS A 28 -36.018 64.154 -25.628 1.00 2.43 H new ATOM 0 HB3 CYS A 28 -37.741 64.471 -25.596 1.00 2.43 H new ATOM 417 N PRO A 29 -39.532 61.638 -25.586 1.00 44.13 N ATOM 418 CA PRO A 29 -40.934 61.427 -25.956 1.00 15.51 C ATOM 419 C PRO A 29 -41.729 62.730 -25.981 1.00 22.45 C ATOM 420 O PRO A 29 -42.860 62.768 -26.465 1.00 62.11 O ATOM 421 CB PRO A 29 -41.457 60.503 -24.853 1.00 52.42 C ATOM 422 CG PRO A 29 -40.574 60.770 -23.684 1.00 20.12 C ATOM 423 CD PRO A 29 -39.220 61.095 -24.252 1.00 60.22 C ATOM 0 HA PRO A 29 -41.033 61.014 -26.960 1.00 15.51 H new ATOM 0 HB2 PRO A 29 -42.500 60.717 -24.619 1.00 52.42 H new ATOM 0 HB3 PRO A 29 -41.407 59.457 -25.156 1.00 52.42 H new ATOM 0 HG2 PRO A 29 -40.956 61.599 -23.088 1.00 20.12 H new ATOM 0 HG3 PRO A 29 -40.523 59.902 -23.027 1.00 20.12 H new ATOM 0 HD2 PRO A 29 -38.690 61.821 -23.636 1.00 60.22 H new ATOM 0 HD3 PRO A 29 -38.588 60.209 -24.316 1.00 60.22 H new ATOM 431 N ARG A 30 -41.130 63.793 -25.454 1.00 62.11 N ATOM 432 CA ARG A 30 -41.783 65.096 -25.416 1.00 65.55 C ATOM 433 C ARG A 30 -41.895 65.690 -26.818 1.00 61.42 C ATOM 434 O ARG A 30 -40.935 65.708 -27.589 1.00 54.02 O ATOM 435 CB ARG A 30 -41.009 66.051 -24.506 1.00 1.13 C ATOM 436 CG ARG A 30 -41.329 65.880 -23.029 1.00 44.04 C ATOM 437 CD ARG A 30 -40.199 65.177 -22.294 1.00 1.25 C ATOM 438 NE ARG A 30 -40.641 64.616 -21.021 1.00 31.04 N ATOM 439 CZ ARG A 30 -39.815 64.291 -20.032 1.00 4.42 C ATOM 440 NH1 ARG A 30 -38.508 64.473 -20.171 1.00 42.12 N ATOM 441 NH2 ARG A 30 -40.294 63.786 -18.903 1.00 23.23 N ATOM 0 H ARG A 30 -40.194 63.778 -25.048 1.00 62.11 H new ATOM 0 HA ARG A 30 -42.788 64.959 -25.017 1.00 65.55 H new ATOM 0 HB2 ARG A 30 -39.941 65.898 -24.658 1.00 1.13 H new ATOM 0 HB3 ARG A 30 -41.229 67.077 -24.800 1.00 1.13 H new ATOM 0 HG2 ARG A 30 -41.506 66.856 -22.578 1.00 44.04 H new ATOM 0 HG3 ARG A 30 -42.249 65.306 -22.919 1.00 44.04 H new ATOM 0 HD2 ARG A 30 -39.798 64.381 -22.921 1.00 1.25 H new ATOM 0 HD3 ARG A 30 -39.387 65.883 -22.117 1.00 1.25 H new ATOM 0 HE ARG A 30 -41.640 64.465 -20.883 1.00 31.04 H new ATOM 0 HH11 ARG A 30 -38.137 64.863 -21.037 1.00 42.12 H new ATOM 0 HH12 ARG A 30 -37.875 64.223 -19.411 1.00 42.12 H new ATOM 0 HH21 ARG A 30 -41.298 63.646 -18.792 1.00 23.23 H new ATOM 0 HH22 ARG A 30 -39.658 63.537 -18.145 1.00 23.23 H new ATOM 455 N PRO A 31 -43.094 66.187 -27.156 1.00 42.32 N ATOM 456 CA PRO A 31 -43.359 66.790 -28.465 1.00 55.14 C ATOM 457 C PRO A 31 -42.646 68.126 -28.643 1.00 61.13 C ATOM 458 O PRO A 31 -42.586 68.666 -29.747 1.00 23.04 O ATOM 459 CB PRO A 31 -44.877 66.991 -28.462 1.00 34.33 C ATOM 460 CG PRO A 31 -45.242 67.092 -27.020 1.00 63.34 C ATOM 461 CD PRO A 31 -44.281 66.198 -26.286 1.00 70.23 C ATOM 0 HA PRO A 31 -42.999 66.165 -29.282 1.00 55.14 H new ATOM 0 HB2 PRO A 31 -45.158 67.893 -29.006 1.00 34.33 H new ATOM 0 HB3 PRO A 31 -45.388 66.157 -28.942 1.00 34.33 H new ATOM 0 HG2 PRO A 31 -45.164 68.121 -26.669 1.00 63.34 H new ATOM 0 HG3 PRO A 31 -46.272 66.776 -26.855 1.00 63.34 H new ATOM 0 HD2 PRO A 31 -44.049 66.586 -25.294 1.00 70.23 H new ATOM 0 HD3 PRO A 31 -44.688 65.196 -26.149 1.00 70.23 H new ATOM 469 N GLY A 32 -42.106 68.654 -27.548 1.00 51.12 N ATOM 470 CA GLY A 32 -41.405 69.922 -27.607 1.00 4.23 C ATOM 471 C GLY A 32 -39.906 69.765 -27.431 1.00 55.43 C ATOM 472 O GLY A 32 -39.149 70.521 -28.038 1.00 12.30 O ATOM 0 H GLY A 32 -42.142 68.226 -26.623 1.00 51.12 H new ATOM 0 HA2 GLY A 32 -41.607 70.401 -28.565 1.00 4.23 H new ATOM 0 HA3 GLY A 32 -41.791 70.584 -26.832 1.00 4.23 H new ATOM 476 N CYS A 33 -39.509 68.800 -26.614 1.00 1.20 N ATOM 477 CA CYS A 33 -38.096 68.562 -26.371 1.00 70.05 C ATOM 478 C CYS A 33 -37.615 67.490 -27.351 1.00 31.22 C ATOM 479 O CYS A 33 -38.033 66.333 -27.310 1.00 41.45 O ATOM 480 CB CYS A 33 -37.832 68.165 -24.916 1.00 43.55 C ATOM 481 SG CYS A 33 -36.298 67.173 -24.807 1.00 70.25 S ATOM 0 H CYS A 33 -40.140 68.175 -26.113 1.00 1.20 H new ATOM 0 HA CYS A 33 -37.535 69.482 -26.536 1.00 70.05 H new ATOM 0 HB2 CYS A 33 -37.742 69.058 -24.297 1.00 43.55 H new ATOM 0 HB3 CYS A 33 -38.674 67.592 -24.528 1.00 43.55 H new ATOM 486 N GLY A 34 -36.716 67.903 -28.239 1.00 72.14 N ATOM 487 CA GLY A 34 -36.175 66.989 -29.228 1.00 74.11 C ATOM 488 C GLY A 34 -34.748 66.582 -28.921 1.00 43.30 C ATOM 489 O GLY A 34 -33.838 66.843 -29.707 1.00 24.20 O ATOM 0 H GLY A 34 -36.353 68.855 -28.291 1.00 72.14 H new ATOM 0 HA2 GLY A 34 -36.801 66.098 -29.276 1.00 74.11 H new ATOM 0 HA3 GLY A 34 -36.212 67.458 -30.211 1.00 74.11 H new ATOM 493 N ALA A 35 -34.551 65.942 -27.773 1.00 72.11 N ATOM 494 CA ALA A 35 -33.224 65.497 -27.364 1.00 43.41 C ATOM 495 C ALA A 35 -32.519 64.760 -28.497 1.00 43.34 C ATOM 496 O ALA A 35 -31.463 65.184 -28.964 1.00 24.11 O ATOM 497 CB ALA A 35 -33.321 64.609 -26.133 1.00 2.34 C ATOM 0 H ALA A 35 -35.293 65.720 -27.110 1.00 72.11 H new ATOM 0 HA ALA A 35 -32.633 66.378 -27.116 1.00 43.41 H new ATOM 0 HB1 ALA A 35 -32.323 64.284 -25.839 1.00 2.34 H new ATOM 0 HB2 ALA A 35 -33.776 65.169 -25.316 1.00 2.34 H new ATOM 0 HB3 ALA A 35 -33.934 63.737 -26.361 1.00 2.34 H new ATOM 503 N GLY A 36 -33.109 63.653 -28.934 1.00 62.53 N ATOM 504 CA GLY A 36 -32.523 62.874 -30.009 1.00 34.43 C ATOM 505 C GLY A 36 -31.018 62.753 -29.883 1.00 5.05 C ATOM 506 O GLY A 36 -30.294 62.865 -30.872 1.00 25.41 O ATOM 0 H GLY A 36 -33.983 63.281 -28.563 1.00 62.53 H new ATOM 0 HA2 GLY A 36 -32.965 61.878 -30.015 1.00 34.43 H new ATOM 0 HA3 GLY A 36 -32.768 63.337 -30.965 1.00 34.43 H new ATOM 510 N LEU A 37 -30.545 62.525 -28.662 1.00 62.14 N ATOM 511 CA LEU A 37 -29.114 62.390 -28.409 1.00 2.14 C ATOM 512 C LEU A 37 -28.750 60.942 -28.102 1.00 3.15 C ATOM 513 O LEU A 37 -29.534 60.207 -27.498 1.00 1.25 O ATOM 514 CB LEU A 37 -28.695 63.291 -27.246 1.00 40.50 C ATOM 515 CG LEU A 37 -29.563 63.212 -25.989 1.00 3.14 C ATOM 516 CD1 LEU A 37 -28.799 62.545 -24.856 1.00 22.41 C ATOM 517 CD2 LEU A 37 -30.030 64.600 -25.575 1.00 72.35 C ATOM 0 H LEU A 37 -31.131 62.430 -27.832 1.00 62.14 H new ATOM 0 HA LEU A 37 -28.580 62.696 -29.309 1.00 2.14 H new ATOM 0 HB2 LEU A 37 -27.670 63.043 -26.971 1.00 40.50 H new ATOM 0 HB3 LEU A 37 -28.690 64.323 -27.596 1.00 40.50 H new ATOM 0 HG LEU A 37 -30.442 62.607 -26.214 1.00 3.14 H new ATOM 0 HD11 LEU A 37 -29.431 62.497 -23.969 1.00 22.41 H new ATOM 0 HD12 LEU A 37 -28.514 61.536 -25.154 1.00 22.41 H new ATOM 0 HD13 LEU A 37 -27.903 63.123 -24.632 1.00 22.41 H new ATOM 0 HD21 LEU A 37 -30.646 64.524 -24.679 1.00 72.35 H new ATOM 0 HD22 LEU A 37 -29.164 65.229 -25.368 1.00 72.35 H new ATOM 0 HD23 LEU A 37 -30.615 65.043 -26.381 1.00 72.35 H new ATOM 529 N LEU A 38 -27.556 60.537 -28.518 1.00 5.52 N ATOM 530 CA LEU A 38 -27.084 59.176 -28.285 1.00 33.44 C ATOM 531 C LEU A 38 -26.214 59.107 -27.033 1.00 62.44 C ATOM 532 O LEU A 38 -25.051 59.508 -27.035 1.00 4.35 O ATOM 533 CB LEU A 38 -26.296 58.673 -29.496 1.00 1.11 C ATOM 534 CG LEU A 38 -26.525 57.213 -29.887 1.00 21.15 C ATOM 535 CD1 LEU A 38 -27.856 57.057 -30.606 1.00 34.43 C ATOM 536 CD2 LEU A 38 -25.384 56.709 -30.758 1.00 31.22 C ATOM 0 H LEU A 38 -26.896 61.132 -29.019 1.00 5.52 H new ATOM 0 HA LEU A 38 -27.955 58.537 -28.135 1.00 33.44 H new ATOM 0 HB2 LEU A 38 -26.544 59.301 -30.352 1.00 1.11 H new ATOM 0 HB3 LEU A 38 -25.234 58.812 -29.296 1.00 1.11 H new ATOM 0 HG LEU A 38 -26.553 56.613 -28.978 1.00 21.15 H new ATOM 0 HD11 LEU A 38 -28.003 56.011 -30.877 1.00 34.43 H new ATOM 0 HD12 LEU A 38 -28.664 57.378 -29.949 1.00 34.43 H new ATOM 0 HD13 LEU A 38 -27.856 57.669 -31.508 1.00 34.43 H new ATOM 0 HD21 LEU A 38 -25.564 55.668 -31.027 1.00 31.22 H new ATOM 0 HD22 LEU A 38 -25.324 57.312 -31.664 1.00 31.22 H new ATOM 0 HD23 LEU A 38 -24.446 56.785 -30.208 1.00 31.22 H new ATOM 548 N PRO A 39 -26.791 58.585 -25.941 1.00 24.33 N ATOM 549 CA PRO A 39 -26.084 58.448 -24.663 1.00 11.41 C ATOM 550 C PRO A 39 -24.993 57.386 -24.714 1.00 5.21 C ATOM 551 O PRO A 39 -24.675 56.861 -25.782 1.00 11.04 O ATOM 552 CB PRO A 39 -27.191 58.031 -23.690 1.00 3.52 C ATOM 553 CG PRO A 39 -28.219 57.375 -24.544 1.00 32.12 C ATOM 554 CD PRO A 39 -28.174 58.088 -25.868 1.00 32.53 C ATOM 0 HA PRO A 39 -25.571 59.367 -24.380 1.00 11.41 H new ATOM 0 HB2 PRO A 39 -26.813 57.347 -22.930 1.00 3.52 H new ATOM 0 HB3 PRO A 39 -27.603 58.893 -23.166 1.00 3.52 H new ATOM 0 HG2 PRO A 39 -28.006 56.313 -24.665 1.00 32.12 H new ATOM 0 HG3 PRO A 39 -29.208 57.452 -24.093 1.00 32.12 H new ATOM 0 HD2 PRO A 39 -28.403 57.415 -26.695 1.00 32.53 H new ATOM 0 HD3 PRO A 39 -28.897 58.903 -25.910 1.00 32.53 H new ATOM 562 N GLU A 40 -24.421 57.074 -23.555 1.00 41.42 N ATOM 563 CA GLU A 40 -23.363 56.074 -23.470 1.00 3.51 C ATOM 564 C GLU A 40 -23.919 54.673 -23.709 1.00 1.13 C ATOM 565 O GLU A 40 -25.127 54.442 -23.671 1.00 12.30 O ATOM 566 CB GLU A 40 -22.679 56.138 -22.102 1.00 61.22 C ATOM 567 CG GLU A 40 -21.379 56.922 -22.109 1.00 11.33 C ATOM 568 CD GLU A 40 -20.314 56.295 -21.230 1.00 70.32 C ATOM 569 OE1 GLU A 40 -20.049 55.085 -21.395 1.00 23.01 O ATOM 570 OE2 GLU A 40 -19.747 57.011 -20.379 1.00 74.24 O ATOM 0 H GLU A 40 -24.672 57.499 -22.663 1.00 41.42 H new ATOM 0 HA GLU A 40 -22.628 56.292 -24.245 1.00 3.51 H new ATOM 0 HB2 GLU A 40 -23.363 56.591 -21.384 1.00 61.22 H new ATOM 0 HB3 GLU A 40 -22.480 55.123 -21.757 1.00 61.22 H new ATOM 0 HG2 GLU A 40 -21.007 56.991 -23.131 1.00 11.33 H new ATOM 0 HG3 GLU A 40 -21.571 57.940 -21.770 1.00 11.33 H new ATOM 577 N PRO A 41 -23.016 53.714 -23.961 1.00 21.14 N ATOM 578 CA PRO A 41 -23.391 52.319 -24.211 1.00 72.04 C ATOM 579 C PRO A 41 -23.920 51.629 -22.959 1.00 53.10 C ATOM 580 O PRO A 41 -24.187 50.426 -22.968 1.00 72.43 O ATOM 581 CB PRO A 41 -22.079 51.673 -24.664 1.00 51.54 C ATOM 582 CG PRO A 41 -21.012 52.516 -24.053 1.00 53.02 C ATOM 583 CD PRO A 41 -21.558 53.917 -24.022 1.00 54.11 C ATOM 0 HA PRO A 41 -24.195 52.238 -24.942 1.00 72.04 H new ATOM 0 HB2 PRO A 41 -22.009 50.639 -24.326 1.00 51.54 H new ATOM 0 HB3 PRO A 41 -21.999 51.659 -25.751 1.00 51.54 H new ATOM 0 HG2 PRO A 41 -20.768 52.170 -23.049 1.00 53.02 H new ATOM 0 HG3 PRO A 41 -20.094 52.468 -24.638 1.00 53.02 H new ATOM 0 HD2 PRO A 41 -21.193 54.471 -23.157 1.00 54.11 H new ATOM 0 HD3 PRO A 41 -21.268 54.481 -24.908 1.00 54.11 H new ATOM 591 N ASP A 42 -24.068 52.394 -21.884 1.00 71.15 N ATOM 592 CA ASP A 42 -24.567 51.855 -20.624 1.00 53.32 C ATOM 593 C ASP A 42 -25.886 52.517 -20.234 1.00 3.21 C ATOM 594 O ASP A 42 -25.903 53.644 -19.741 1.00 64.40 O ATOM 595 CB ASP A 42 -23.534 52.057 -19.514 1.00 34.31 C ATOM 596 CG ASP A 42 -22.132 51.686 -19.955 1.00 44.12 C ATOM 597 OD1 ASP A 42 -21.606 52.348 -20.875 1.00 11.02 O ATOM 598 OD2 ASP A 42 -21.560 50.735 -19.381 1.00 52.22 O ATOM 0 H ASP A 42 -23.850 53.390 -21.859 1.00 71.15 H new ATOM 0 HA ASP A 42 -24.742 50.787 -20.758 1.00 53.32 H new ATOM 0 HB2 ASP A 42 -23.548 53.099 -19.194 1.00 34.31 H new ATOM 0 HB3 ASP A 42 -23.811 51.454 -18.649 1.00 34.31 H new ATOM 603 N GLN A 43 -26.987 51.808 -20.460 1.00 61.04 N ATOM 604 CA GLN A 43 -28.310 52.327 -20.135 1.00 53.12 C ATOM 605 C GLN A 43 -28.427 52.622 -18.643 1.00 11.32 C ATOM 606 O GLN A 43 -29.331 53.337 -18.210 1.00 1.34 O ATOM 607 CB GLN A 43 -29.391 51.330 -20.556 1.00 3.44 C ATOM 608 CG GLN A 43 -28.918 49.885 -20.556 1.00 55.21 C ATOM 609 CD GLN A 43 -28.298 49.475 -21.876 1.00 72.13 C ATOM 610 OE1 GLN A 43 -27.541 50.233 -22.483 1.00 22.11 O ATOM 611 NE2 GLN A 43 -28.615 48.267 -22.331 1.00 32.03 N ATOM 0 H GLN A 43 -26.989 50.873 -20.867 1.00 61.04 H new ATOM 0 HA GLN A 43 -28.452 53.258 -20.684 1.00 53.12 H new ATOM 0 HB2 GLN A 43 -30.243 51.425 -19.883 1.00 3.44 H new ATOM 0 HB3 GLN A 43 -29.743 51.589 -21.555 1.00 3.44 H new ATOM 0 HG2 GLN A 43 -28.189 49.745 -19.758 1.00 55.21 H new ATOM 0 HG3 GLN A 43 -29.761 49.230 -20.336 1.00 55.21 H new ATOM 0 HE21 GLN A 43 -29.246 47.670 -21.797 1.00 32.03 H new ATOM 0 HE22 GLN A 43 -28.227 47.937 -23.215 1.00 32.03 H new ATOM 620 N ARG A 44 -27.507 52.064 -17.861 1.00 45.35 N ATOM 621 CA ARG A 44 -27.508 52.267 -16.417 1.00 52.14 C ATOM 622 C ARG A 44 -28.045 53.651 -16.062 1.00 74.41 C ATOM 623 O ARG A 44 -28.782 53.812 -15.088 1.00 34.53 O ATOM 624 CB ARG A 44 -26.095 52.097 -15.856 1.00 51.53 C ATOM 625 CG ARG A 44 -25.113 53.147 -16.351 1.00 52.54 C ATOM 626 CD ARG A 44 -23.698 52.596 -16.425 1.00 34.12 C ATOM 627 NE ARG A 44 -22.958 52.823 -15.185 1.00 65.42 N ATOM 628 CZ ARG A 44 -21.972 52.038 -14.764 1.00 75.02 C ATOM 629 NH1 ARG A 44 -21.612 50.981 -15.477 1.00 44.14 N ATOM 630 NH2 ARG A 44 -21.347 52.311 -13.627 1.00 12.21 N ATOM 0 H ARG A 44 -26.753 51.469 -18.203 1.00 45.35 H new ATOM 0 HA ARG A 44 -28.162 51.518 -15.971 1.00 52.14 H new ATOM 0 HB2 ARG A 44 -26.138 52.136 -14.768 1.00 51.53 H new ATOM 0 HB3 ARG A 44 -25.723 51.108 -16.125 1.00 51.53 H new ATOM 0 HG2 ARG A 44 -25.420 53.498 -17.336 1.00 52.54 H new ATOM 0 HG3 ARG A 44 -25.134 54.009 -15.685 1.00 52.54 H new ATOM 0 HD2 ARG A 44 -23.735 51.527 -16.635 1.00 34.12 H new ATOM 0 HD3 ARG A 44 -23.169 53.065 -17.254 1.00 34.12 H new ATOM 0 HE ARG A 44 -23.212 53.628 -14.612 1.00 65.42 H new ATOM 0 HH11 ARG A 44 -22.092 50.768 -16.351 1.00 44.14 H new ATOM 0 HH12 ARG A 44 -20.855 50.380 -15.152 1.00 44.14 H new ATOM 0 HH21 ARG A 44 -21.623 53.123 -13.076 1.00 12.21 H new ATOM 0 HH22 ARG A 44 -20.590 51.709 -13.304 1.00 12.21 H new ATOM 644 N LYS A 45 -27.672 54.646 -16.858 1.00 52.51 N ATOM 645 CA LYS A 45 -28.117 56.016 -16.628 1.00 42.34 C ATOM 646 C LYS A 45 -28.029 56.837 -17.911 1.00 1.45 C ATOM 647 O LYS A 45 -26.937 57.149 -18.387 1.00 41.44 O ATOM 648 CB LYS A 45 -27.275 56.671 -15.532 1.00 3.11 C ATOM 649 CG LYS A 45 -28.095 57.190 -14.364 1.00 12.42 C ATOM 650 CD LYS A 45 -27.639 58.575 -13.934 1.00 23.53 C ATOM 651 CE LYS A 45 -28.072 59.640 -14.930 1.00 31.14 C ATOM 652 NZ LYS A 45 -28.447 60.912 -14.253 1.00 31.24 N ATOM 0 H LYS A 45 -27.063 54.530 -17.668 1.00 52.51 H new ATOM 0 HA LYS A 45 -29.158 55.985 -16.307 1.00 42.34 H new ATOM 0 HB2 LYS A 45 -26.549 55.947 -15.162 1.00 3.11 H new ATOM 0 HB3 LYS A 45 -26.710 57.497 -15.964 1.00 3.11 H new ATOM 0 HG2 LYS A 45 -29.148 57.223 -14.644 1.00 12.42 H new ATOM 0 HG3 LYS A 45 -28.010 56.501 -13.524 1.00 12.42 H new ATOM 0 HD2 LYS A 45 -28.051 58.806 -12.951 1.00 23.53 H new ATOM 0 HD3 LYS A 45 -26.554 58.587 -13.836 1.00 23.53 H new ATOM 0 HE2 LYS A 45 -27.262 59.829 -15.635 1.00 31.14 H new ATOM 0 HE3 LYS A 45 -28.920 59.273 -15.509 1.00 31.14 H new ATOM 0 HZ1 LYS A 45 -28.736 61.612 -14.965 1.00 31.24 H new ATOM 0 HZ2 LYS A 45 -29.236 60.737 -13.599 1.00 31.24 H new ATOM 0 HZ3 LYS A 45 -27.631 61.276 -13.721 1.00 31.24 H new ATOM 666 N VAL A 46 -29.185 57.188 -18.465 1.00 1.41 N ATOM 667 CA VAL A 46 -29.238 57.976 -19.690 1.00 53.01 C ATOM 668 C VAL A 46 -29.884 59.334 -19.442 1.00 52.30 C ATOM 669 O VAL A 46 -31.085 59.426 -19.180 1.00 65.34 O ATOM 670 CB VAL A 46 -30.020 57.242 -20.796 1.00 70.11 C ATOM 671 CG1 VAL A 46 -30.582 58.236 -21.802 1.00 34.20 C ATOM 672 CG2 VAL A 46 -29.131 56.218 -21.486 1.00 71.21 C ATOM 0 H VAL A 46 -30.098 56.939 -18.084 1.00 1.41 H new ATOM 0 HA VAL A 46 -28.209 58.121 -20.018 1.00 53.01 H new ATOM 0 HB VAL A 46 -30.856 56.714 -20.337 1.00 70.11 H new ATOM 0 HG11 VAL A 46 -31.131 57.699 -22.576 1.00 34.20 H new ATOM 0 HG12 VAL A 46 -31.254 58.928 -21.294 1.00 34.20 H new ATOM 0 HG13 VAL A 46 -29.764 58.794 -22.258 1.00 34.20 H new ATOM 0 HG21 VAL A 46 -29.699 55.709 -22.264 1.00 71.21 H new ATOM 0 HG22 VAL A 46 -28.274 56.722 -21.933 1.00 71.21 H new ATOM 0 HG23 VAL A 46 -28.782 55.488 -20.755 1.00 71.21 H new ATOM 682 N THR A 47 -29.081 60.391 -19.527 1.00 31.33 N ATOM 683 CA THR A 47 -29.574 61.745 -19.312 1.00 1.23 C ATOM 684 C THR A 47 -29.997 62.392 -20.625 1.00 64.43 C ATOM 685 O THR A 47 -29.405 62.091 -21.662 1.00 42.51 O ATOM 686 CB THR A 47 -28.509 62.630 -18.637 1.00 31.54 C ATOM 687 OG1 THR A 47 -27.970 61.960 -17.492 1.00 33.52 O ATOM 688 CG2 THR A 47 -29.103 63.966 -18.215 1.00 63.20 C ATOM 0 H THR A 47 -28.086 60.334 -19.743 1.00 31.33 H new ATOM 0 HA THR A 47 -30.440 61.665 -18.655 1.00 1.23 H new ATOM 0 HB THR A 47 -27.713 62.816 -19.358 1.00 31.54 H new ATOM 0 HG1 THR A 47 -27.293 62.528 -17.069 1.00 33.52 H new ATOM 0 HG21 THR A 47 -28.332 64.573 -17.741 1.00 63.20 H new ATOM 0 HG22 THR A 47 -29.487 64.487 -19.092 1.00 63.20 H new ATOM 0 HG23 THR A 47 -29.916 63.796 -17.509 1.00 63.20 H new ATOM 696 N CYS A 48 -30.999 63.257 -20.557 1.00 32.22 N ATOM 697 CA CYS A 48 -31.485 63.934 -21.748 1.00 13.35 C ATOM 698 C CYS A 48 -30.802 65.301 -21.834 1.00 42.15 C ATOM 699 O CYS A 48 -30.684 65.903 -22.900 1.00 62.32 O ATOM 700 CB CYS A 48 -33.009 64.057 -21.744 1.00 54.43 C ATOM 701 SG CYS A 48 -33.546 65.225 -23.047 1.00 15.53 S ATOM 0 H CYS A 48 -31.487 63.504 -19.696 1.00 32.22 H new ATOM 0 HA CYS A 48 -31.235 63.348 -22.632 1.00 13.35 H new ATOM 0 HB2 CYS A 48 -33.461 63.080 -21.911 1.00 54.43 H new ATOM 0 HB3 CYS A 48 -33.352 64.404 -20.769 1.00 54.43 H new ATOM 706 N GLU A 49 -30.351 65.779 -20.679 1.00 34.01 N ATOM 707 CA GLU A 49 -29.678 67.070 -20.597 1.00 15.33 C ATOM 708 C GLU A 49 -28.523 67.144 -21.590 1.00 24.53 C ATOM 709 O GLU A 49 -28.218 68.209 -22.126 1.00 24.53 O ATOM 710 CB GLU A 49 -29.161 67.312 -19.177 1.00 60.11 C ATOM 711 CG GLU A 49 -27.645 67.354 -19.080 1.00 41.15 C ATOM 712 CD GLU A 49 -27.145 67.133 -17.667 1.00 22.13 C ATOM 713 OE1 GLU A 49 -27.479 67.951 -16.783 1.00 64.12 O ATOM 714 OE2 GLU A 49 -26.419 66.143 -17.443 1.00 32.24 O ATOM 0 H GLU A 49 -30.439 65.292 -19.787 1.00 34.01 H new ATOM 0 HA GLU A 49 -30.402 67.845 -20.849 1.00 15.33 H new ATOM 0 HB2 GLU A 49 -29.567 68.254 -18.807 1.00 60.11 H new ATOM 0 HB3 GLU A 49 -29.537 66.525 -18.523 1.00 60.11 H new ATOM 0 HG2 GLU A 49 -27.222 66.592 -19.735 1.00 41.15 H new ATOM 0 HG3 GLU A 49 -27.288 68.319 -19.441 1.00 41.15 H new ATOM 721 N GLY A 50 -27.882 66.003 -21.832 1.00 52.55 N ATOM 722 CA GLY A 50 -26.766 65.960 -22.758 1.00 43.23 C ATOM 723 C GLY A 50 -27.087 66.626 -24.083 1.00 15.43 C ATOM 724 O GLY A 50 -28.246 66.917 -24.375 1.00 23.04 O ATOM 0 H GLY A 50 -28.117 65.108 -21.403 1.00 52.55 H new ATOM 0 HA2 GLY A 50 -25.904 66.452 -22.307 1.00 43.23 H new ATOM 0 HA3 GLY A 50 -26.484 64.922 -22.935 1.00 43.23 H new ATOM 728 N GLY A 51 -26.056 66.872 -24.884 1.00 42.31 N ATOM 729 CA GLY A 51 -26.253 67.510 -26.172 1.00 63.30 C ATOM 730 C GLY A 51 -27.463 68.423 -26.189 1.00 73.11 C ATOM 731 O GLY A 51 -27.741 69.113 -25.209 1.00 64.40 O ATOM 0 H GLY A 51 -25.087 66.641 -24.664 1.00 42.31 H new ATOM 0 HA2 GLY A 51 -25.364 68.086 -26.428 1.00 63.30 H new ATOM 0 HA3 GLY A 51 -26.369 66.744 -26.939 1.00 63.30 H new ATOM 735 N ASN A 52 -28.184 68.429 -27.306 1.00 3.25 N ATOM 736 CA ASN A 52 -29.369 69.266 -27.447 1.00 1.14 C ATOM 737 C ASN A 52 -30.328 69.051 -26.279 1.00 52.22 C ATOM 738 O ASN A 52 -30.519 69.937 -25.448 1.00 42.10 O ATOM 739 CB ASN A 52 -30.079 68.964 -28.767 1.00 51.41 C ATOM 740 CG ASN A 52 -29.486 69.734 -29.932 1.00 15.34 C ATOM 741 OD1 ASN A 52 -28.601 69.240 -30.631 1.00 11.53 O ATOM 742 ND2 ASN A 52 -29.971 70.952 -30.144 1.00 71.44 N ATOM 0 H ASN A 52 -27.968 67.863 -28.127 1.00 3.25 H new ATOM 0 HA ASN A 52 -29.050 70.308 -27.445 1.00 1.14 H new ATOM 0 HB2 ASN A 52 -30.018 67.895 -28.973 1.00 51.41 H new ATOM 0 HB3 ASN A 52 -31.136 69.211 -28.672 1.00 51.41 H new ATOM 0 HD21 ASN A 52 -29.610 71.518 -30.912 1.00 71.44 H new ATOM 0 HD22 ASN A 52 -30.705 71.321 -29.539 1.00 71.44 H new ATOM 749 N GLY A 53 -30.930 67.867 -26.226 1.00 63.31 N ATOM 750 CA GLY A 53 -31.862 67.555 -25.157 1.00 43.11 C ATOM 751 C GLY A 53 -31.749 68.517 -23.991 1.00 25.21 C ATOM 752 O GLY A 53 -31.001 68.272 -23.044 1.00 14.24 O ATOM 0 H GLY A 53 -30.789 67.118 -26.904 1.00 63.31 H new ATOM 0 HA2 GLY A 53 -32.879 67.580 -25.547 1.00 43.11 H new ATOM 0 HA3 GLY A 53 -31.680 66.539 -24.805 1.00 43.11 H new ATOM 756 N LEU A 54 -32.491 69.618 -24.060 1.00 34.41 N ATOM 757 CA LEU A 54 -32.471 70.621 -23.002 1.00 31.11 C ATOM 758 C LEU A 54 -32.718 69.981 -21.639 1.00 43.14 C ATOM 759 O LEU A 54 -33.754 69.356 -21.413 1.00 45.24 O ATOM 760 CB LEU A 54 -33.524 71.697 -23.273 1.00 14.23 C ATOM 761 CG LEU A 54 -33.623 72.192 -24.716 1.00 12.31 C ATOM 762 CD1 LEU A 54 -34.693 73.265 -24.840 1.00 64.10 C ATOM 763 CD2 LEU A 54 -32.279 72.720 -25.193 1.00 25.34 C ATOM 0 H LEU A 54 -33.113 69.838 -24.838 1.00 34.41 H new ATOM 0 HA LEU A 54 -31.484 71.083 -22.991 1.00 31.11 H new ATOM 0 HB2 LEU A 54 -34.498 71.307 -22.976 1.00 14.23 H new ATOM 0 HB3 LEU A 54 -33.314 72.552 -22.630 1.00 14.23 H new ATOM 0 HG LEU A 54 -33.905 71.351 -25.349 1.00 12.31 H new ATOM 0 HD11 LEU A 54 -34.749 73.605 -25.874 1.00 64.10 H new ATOM 0 HD12 LEU A 54 -35.657 72.854 -24.541 1.00 64.10 H new ATOM 0 HD13 LEU A 54 -34.441 74.106 -24.194 1.00 64.10 H new ATOM 0 HD21 LEU A 54 -32.369 73.068 -26.222 1.00 25.34 H new ATOM 0 HD22 LEU A 54 -31.966 73.548 -24.556 1.00 25.34 H new ATOM 0 HD23 LEU A 54 -31.537 71.923 -25.143 1.00 25.34 H new ATOM 775 N GLY A 55 -31.759 70.145 -20.732 1.00 55.13 N ATOM 776 CA GLY A 55 -31.893 69.580 -19.402 1.00 23.12 C ATOM 777 C GLY A 55 -33.338 69.310 -19.029 1.00 42.20 C ATOM 778 O GLY A 55 -33.993 70.201 -18.490 1.00 13.25 O ATOM 0 H GLY A 55 -30.893 70.658 -20.895 1.00 55.13 H new ATOM 0 HA2 GLY A 55 -31.327 68.650 -19.347 1.00 23.12 H new ATOM 0 HA3 GLY A 55 -31.455 70.263 -18.675 1.00 23.12 H new ATOM 782 N CYS A 56 -33.806 68.106 -19.319 1.00 22.12 N ATOM 783 CA CYS A 56 -35.177 67.740 -19.008 1.00 12.55 C ATOM 784 C CYS A 56 -35.320 67.661 -17.487 1.00 12.42 C ATOM 785 O CYS A 56 -36.316 68.085 -16.900 1.00 43.22 O ATOM 786 CB CYS A 56 -35.582 66.431 -19.687 1.00 34.11 C ATOM 787 SG CYS A 56 -36.499 66.785 -21.231 1.00 23.12 S ATOM 0 H CYS A 56 -33.260 67.370 -19.767 1.00 22.12 H new ATOM 0 HA CYS A 56 -35.855 68.499 -19.397 1.00 12.55 H new ATOM 0 HB2 CYS A 56 -34.695 65.837 -19.909 1.00 34.11 H new ATOM 0 HB3 CYS A 56 -36.202 65.839 -19.014 1.00 34.11 H new ATOM 792 N GLY A 57 -34.291 67.104 -16.853 1.00 20.12 N ATOM 793 CA GLY A 57 -34.295 66.965 -15.409 1.00 43.32 C ATOM 794 C GLY A 57 -34.628 65.556 -14.964 1.00 14.33 C ATOM 795 O GLY A 57 -34.784 65.295 -13.770 1.00 65.01 O ATOM 0 H GLY A 57 -33.455 66.747 -17.315 1.00 20.12 H new ATOM 0 HA2 GLY A 57 -33.317 67.245 -15.017 1.00 43.32 H new ATOM 0 HA3 GLY A 57 -35.020 67.658 -14.982 1.00 43.32 H new ATOM 799 N PHE A 58 -34.738 64.643 -15.922 1.00 52.22 N ATOM 800 CA PHE A 58 -35.059 63.252 -15.623 1.00 52.31 C ATOM 801 C PHE A 58 -34.427 62.316 -16.647 1.00 63.42 C ATOM 802 O PHE A 58 -34.635 62.464 -17.851 1.00 53.31 O ATOM 803 CB PHE A 58 -36.575 63.050 -15.596 1.00 72.11 C ATOM 804 CG PHE A 58 -36.993 61.727 -15.021 1.00 72.14 C ATOM 805 CD1 PHE A 58 -37.069 60.601 -15.824 1.00 75.12 C ATOM 806 CD2 PHE A 58 -37.311 61.609 -13.676 1.00 45.43 C ATOM 807 CE1 PHE A 58 -37.453 59.381 -15.297 1.00 54.25 C ATOM 808 CE2 PHE A 58 -37.695 60.394 -13.145 1.00 73.32 C ATOM 809 CZ PHE A 58 -37.768 59.278 -13.957 1.00 31.30 C ATOM 0 H PHE A 58 -34.609 64.841 -16.914 1.00 52.22 H new ATOM 0 HA PHE A 58 -34.651 63.014 -14.640 1.00 52.31 H new ATOM 0 HB2 PHE A 58 -37.030 63.851 -15.013 1.00 72.11 H new ATOM 0 HB3 PHE A 58 -36.963 63.135 -16.611 1.00 72.11 H new ATOM 0 HD1 PHE A 58 -36.826 60.676 -16.874 1.00 75.12 H new ATOM 0 HD2 PHE A 58 -37.258 62.478 -13.037 1.00 45.43 H new ATOM 0 HE1 PHE A 58 -37.506 58.510 -15.933 1.00 54.25 H new ATOM 0 HE2 PHE A 58 -37.938 60.316 -12.096 1.00 73.32 H new ATOM 0 HZ PHE A 58 -38.071 58.327 -13.544 1.00 31.30 H new ATOM 819 N ALA A 59 -33.653 61.351 -16.160 1.00 63.14 N ATOM 820 CA ALA A 59 -32.991 60.389 -17.033 1.00 70.35 C ATOM 821 C ALA A 59 -33.892 59.190 -17.311 1.00 22.35 C ATOM 822 O ALA A 59 -34.728 58.826 -16.485 1.00 33.33 O ATOM 823 CB ALA A 59 -31.677 59.934 -16.416 1.00 20.23 C ATOM 0 H ALA A 59 -33.469 61.215 -15.166 1.00 63.14 H new ATOM 0 HA ALA A 59 -32.782 60.881 -17.983 1.00 70.35 H new ATOM 0 HB1 ALA A 59 -31.193 59.216 -17.078 1.00 20.23 H new ATOM 0 HB2 ALA A 59 -31.024 60.795 -16.275 1.00 20.23 H new ATOM 0 HB3 ALA A 59 -31.871 59.464 -15.452 1.00 20.23 H new ATOM 829 N PHE A 60 -33.714 58.580 -18.477 1.00 45.24 N ATOM 830 CA PHE A 60 -34.512 57.423 -18.864 1.00 73.34 C ATOM 831 C PHE A 60 -33.626 56.198 -19.081 1.00 43.24 C ATOM 832 O PHE A 60 -32.411 56.297 -18.912 1.00 61.31 O ATOM 833 CB PHE A 60 -35.304 57.725 -20.137 1.00 71.20 C ATOM 834 CG PHE A 60 -34.464 58.295 -21.245 1.00 21.02 C ATOM 835 CD1 PHE A 60 -33.866 59.537 -21.108 1.00 25.52 C ATOM 836 CD2 PHE A 60 -34.275 57.590 -22.422 1.00 72.13 C ATOM 837 CE1 PHE A 60 -33.091 60.065 -22.124 1.00 71.14 C ATOM 838 CE2 PHE A 60 -33.502 58.112 -23.442 1.00 5.12 C ATOM 839 CZ PHE A 60 -32.911 59.351 -23.294 1.00 5.25 C ATOM 0 H PHE A 60 -33.024 58.867 -19.171 1.00 45.24 H new ATOM 0 HA PHE A 60 -35.209 57.207 -18.054 1.00 73.34 H new ATOM 0 HB2 PHE A 60 -35.778 56.808 -20.486 1.00 71.20 H new ATOM 0 HB3 PHE A 60 -36.103 58.427 -19.900 1.00 71.20 H new ATOM 0 HD1 PHE A 60 -34.007 60.099 -20.197 1.00 25.52 H new ATOM 0 HD2 PHE A 60 -34.737 56.621 -22.544 1.00 72.13 H new ATOM 0 HE1 PHE A 60 -32.627 61.033 -22.004 1.00 71.14 H new ATOM 0 HE2 PHE A 60 -33.360 57.551 -24.354 1.00 5.12 H new ATOM 0 HZ PHE A 60 -32.309 59.762 -24.091 1.00 5.25 H new ATOM 849 N CYS A 61 -34.245 55.087 -19.446 1.00 73.42 N ATOM 850 CA CYS A 61 -33.504 53.859 -19.681 1.00 2.21 C ATOM 851 C CYS A 61 -33.527 53.563 -21.181 1.00 24.11 C ATOM 852 O CYS A 61 -34.571 53.308 -21.780 1.00 41.11 O ATOM 853 CB CYS A 61 -34.064 52.695 -18.861 1.00 41.43 C ATOM 854 SG CYS A 61 -33.355 51.115 -19.453 1.00 24.12 S ATOM 0 H CYS A 61 -35.253 55.010 -19.585 1.00 73.42 H new ATOM 0 HA CYS A 61 -32.472 53.986 -19.353 1.00 2.21 H new ATOM 0 HB2 CYS A 61 -33.829 52.836 -17.806 1.00 41.43 H new ATOM 0 HB3 CYS A 61 -35.150 52.670 -18.945 1.00 41.43 H new ATOM 859 N ARG A 62 -32.341 53.604 -21.781 1.00 14.14 N ATOM 860 CA ARG A 62 -32.196 53.345 -23.208 1.00 24.20 C ATOM 861 C ARG A 62 -32.755 51.973 -23.572 1.00 13.40 C ATOM 862 O ARG A 62 -33.508 51.836 -24.536 1.00 21.22 O ATOM 863 CB ARG A 62 -30.724 53.432 -23.617 1.00 51.01 C ATOM 864 CG ARG A 62 -30.512 54.003 -25.010 1.00 71.04 C ATOM 865 CD ARG A 62 -30.972 55.450 -25.096 1.00 1.33 C ATOM 866 NE ARG A 62 -30.600 56.068 -26.365 1.00 61.34 N ATOM 867 CZ ARG A 62 -30.759 57.360 -26.629 1.00 72.03 C ATOM 868 NH1 ARG A 62 -31.278 58.167 -25.714 1.00 55.14 N ATOM 869 NH2 ARG A 62 -30.398 57.848 -27.808 1.00 41.23 N ATOM 0 H ARG A 62 -31.466 53.814 -21.300 1.00 14.14 H new ATOM 0 HA ARG A 62 -32.762 54.104 -23.748 1.00 24.20 H new ATOM 0 HB2 ARG A 62 -30.191 54.050 -22.895 1.00 51.01 H new ATOM 0 HB3 ARG A 62 -30.283 52.436 -23.571 1.00 51.01 H new ATOM 0 HG2 ARG A 62 -29.456 53.940 -25.273 1.00 71.04 H new ATOM 0 HG3 ARG A 62 -31.059 53.403 -25.737 1.00 71.04 H new ATOM 0 HD2 ARG A 62 -32.054 55.494 -24.975 1.00 1.33 H new ATOM 0 HD3 ARG A 62 -30.536 56.018 -24.274 1.00 1.33 H new ATOM 0 HE ARG A 62 -30.195 55.475 -27.089 1.00 61.34 H new ATOM 0 HH11 ARG A 62 -31.556 57.796 -24.805 1.00 55.14 H new ATOM 0 HH12 ARG A 62 -31.399 59.159 -25.919 1.00 55.14 H new ATOM 0 HH21 ARG A 62 -29.997 57.231 -28.514 1.00 41.23 H new ATOM 0 HH22 ARG A 62 -30.521 58.841 -28.008 1.00 41.23 H new ATOM 883 N GLU A 63 -32.382 50.962 -22.794 1.00 11.41 N ATOM 884 CA GLU A 63 -32.846 49.601 -23.035 1.00 1.12 C ATOM 885 C GLU A 63 -34.318 49.591 -23.439 1.00 44.22 C ATOM 886 O GLU A 63 -34.633 49.189 -24.557 1.00 64.22 O ATOM 887 CB GLU A 63 -32.643 48.740 -21.786 1.00 64.44 C ATOM 888 CG GLU A 63 -32.798 47.251 -22.044 1.00 13.15 C ATOM 889 CD GLU A 63 -31.768 46.421 -21.303 1.00 35.35 C ATOM 890 OE1 GLU A 63 -30.729 46.984 -20.900 1.00 53.33 O ATOM 891 OE2 GLU A 63 -32.001 45.205 -21.126 1.00 53.30 O ATOM 0 H GLU A 63 -31.760 51.060 -21.992 1.00 11.41 H new ATOM 0 HA GLU A 63 -32.259 49.185 -23.854 1.00 1.12 H new ATOM 0 HB2 GLU A 63 -31.648 48.929 -21.382 1.00 64.44 H new ATOM 0 HB3 GLU A 63 -33.360 49.045 -21.024 1.00 64.44 H new ATOM 0 HG2 GLU A 63 -33.797 46.936 -21.744 1.00 13.15 H new ATOM 0 HG3 GLU A 63 -32.712 47.060 -23.114 1.00 13.15 H new ATOM 898 N CYS A 64 -35.176 50.031 -22.529 1.00 20.54 N ATOM 899 CA CYS A 64 -36.603 50.066 -22.802 1.00 23.44 C ATOM 900 C CYS A 64 -36.950 51.447 -23.361 1.00 61.11 C ATOM 901 O CYS A 64 -38.097 51.750 -23.690 1.00 34.03 O ATOM 902 CB CYS A 64 -37.426 49.730 -21.557 1.00 42.42 C ATOM 903 SG CYS A 64 -36.862 50.747 -20.142 1.00 62.43 S ATOM 0 H CYS A 64 -34.910 50.366 -21.603 1.00 20.54 H new ATOM 0 HA CYS A 64 -36.854 49.303 -23.539 1.00 23.44 H new ATOM 0 HB2 CYS A 64 -38.483 49.913 -21.749 1.00 42.42 H new ATOM 0 HB3 CYS A 64 -37.324 48.671 -21.318 1.00 42.42 H new ATOM 908 N LYS A 65 -35.924 52.284 -23.464 1.00 54.44 N ATOM 909 CA LYS A 65 -36.091 53.639 -23.980 1.00 41.32 C ATOM 910 C LYS A 65 -37.306 54.314 -23.354 1.00 51.41 C ATOM 911 O LYS A 65 -37.969 55.134 -23.989 1.00 64.34 O ATOM 912 CB LYS A 65 -36.237 53.611 -25.504 1.00 53.41 C ATOM 913 CG LYS A 65 -37.221 52.566 -26.000 1.00 41.03 C ATOM 914 CD LYS A 65 -37.311 52.562 -27.517 1.00 24.31 C ATOM 915 CE LYS A 65 -38.170 53.709 -28.029 1.00 14.45 C ATOM 916 NZ LYS A 65 -39.617 53.355 -28.038 1.00 61.33 N ATOM 0 H LYS A 65 -34.968 52.049 -23.197 1.00 54.44 H new ATOM 0 HA LYS A 65 -35.203 54.214 -23.716 1.00 41.32 H new ATOM 0 HB2 LYS A 65 -36.559 54.594 -25.848 1.00 53.41 H new ATOM 0 HB3 LYS A 65 -35.261 53.421 -25.951 1.00 53.41 H new ATOM 0 HG2 LYS A 65 -36.914 51.580 -25.650 1.00 41.03 H new ATOM 0 HG3 LYS A 65 -38.206 52.762 -25.576 1.00 41.03 H new ATOM 0 HD2 LYS A 65 -36.310 52.638 -27.942 1.00 24.31 H new ATOM 0 HD3 LYS A 65 -37.729 51.614 -27.855 1.00 24.31 H new ATOM 0 HE2 LYS A 65 -38.015 54.587 -27.403 1.00 14.45 H new ATOM 0 HE3 LYS A 65 -37.855 53.977 -29.038 1.00 14.45 H new ATOM 0 HZ1 LYS A 65 -40.169 54.161 -28.393 1.00 61.33 H new ATOM 0 HZ2 LYS A 65 -39.769 52.532 -28.656 1.00 61.33 H new ATOM 0 HZ3 LYS A 65 -39.924 53.124 -27.072 1.00 61.33 H new ATOM 930 N GLU A 66 -37.593 53.965 -22.102 1.00 51.03 N ATOM 931 CA GLU A 66 -38.728 54.541 -21.392 1.00 13.14 C ATOM 932 C GLU A 66 -38.286 55.163 -20.071 1.00 3.01 C ATOM 933 O GLU A 66 -37.105 55.131 -19.722 1.00 34.11 O ATOM 934 CB GLU A 66 -39.791 53.470 -21.132 1.00 1.21 C ATOM 935 CG GLU A 66 -39.669 52.810 -19.768 1.00 21.13 C ATOM 936 CD GLU A 66 -40.434 51.504 -19.683 1.00 11.11 C ATOM 937 OE1 GLU A 66 -40.269 50.659 -20.588 1.00 15.51 O ATOM 938 OE2 GLU A 66 -41.199 51.326 -18.711 1.00 0.22 O ATOM 0 H GLU A 66 -37.056 53.288 -21.561 1.00 51.03 H new ATOM 0 HA GLU A 66 -39.155 55.325 -22.018 1.00 13.14 H new ATOM 0 HB2 GLU A 66 -40.779 53.922 -21.221 1.00 1.21 H new ATOM 0 HB3 GLU A 66 -39.720 52.704 -21.905 1.00 1.21 H new ATOM 0 HG2 GLU A 66 -38.617 52.626 -19.550 1.00 21.13 H new ATOM 0 HG3 GLU A 66 -40.038 53.494 -19.003 1.00 21.13 H new ATOM 945 N ALA A 67 -39.240 55.730 -19.341 1.00 74.12 N ATOM 946 CA ALA A 67 -38.949 56.359 -18.059 1.00 54.14 C ATOM 947 C ALA A 67 -38.176 55.414 -17.146 1.00 23.52 C ATOM 948 O ALA A 67 -38.519 54.239 -17.019 1.00 52.12 O ATOM 949 CB ALA A 67 -40.238 56.808 -17.386 1.00 33.14 C ATOM 0 H ALA A 67 -40.222 55.767 -19.616 1.00 74.12 H new ATOM 0 HA ALA A 67 -38.325 57.233 -18.246 1.00 54.14 H new ATOM 0 HB1 ALA A 67 -40.005 57.276 -16.430 1.00 33.14 H new ATOM 0 HB2 ALA A 67 -40.752 57.526 -18.026 1.00 33.14 H new ATOM 0 HB3 ALA A 67 -40.882 55.944 -17.220 1.00 33.14 H new ATOM 955 N TYR A 68 -37.129 55.933 -16.515 1.00 11.35 N ATOM 956 CA TYR A 68 -36.304 55.134 -15.616 1.00 23.12 C ATOM 957 C TYR A 68 -37.164 54.422 -14.576 1.00 50.34 C ATOM 958 O TYR A 68 -37.644 55.037 -13.624 1.00 55.41 O ATOM 959 CB TYR A 68 -35.268 56.017 -14.919 1.00 3.52 C ATOM 960 CG TYR A 68 -34.004 55.282 -14.536 1.00 32.12 C ATOM 961 CD1 TYR A 68 -32.945 55.169 -15.428 1.00 31.14 C ATOM 962 CD2 TYR A 68 -33.870 54.698 -13.282 1.00 1.12 C ATOM 963 CE1 TYR A 68 -31.789 54.497 -15.081 1.00 52.22 C ATOM 964 CE2 TYR A 68 -32.717 54.025 -12.927 1.00 2.24 C ATOM 965 CZ TYR A 68 -31.679 53.927 -13.830 1.00 50.14 C ATOM 966 OH TYR A 68 -30.529 53.257 -13.480 1.00 61.32 O ATOM 0 H TYR A 68 -36.831 56.904 -16.609 1.00 11.35 H new ATOM 0 HA TYR A 68 -35.788 54.381 -16.212 1.00 23.12 H new ATOM 0 HB2 TYR A 68 -35.010 56.848 -15.576 1.00 3.52 H new ATOM 0 HB3 TYR A 68 -35.714 56.447 -14.022 1.00 3.52 H new ATOM 0 HD1 TYR A 68 -33.027 55.614 -16.409 1.00 31.14 H new ATOM 0 HD2 TYR A 68 -34.681 54.772 -12.573 1.00 1.12 H new ATOM 0 HE1 TYR A 68 -30.975 54.418 -15.786 1.00 52.22 H new ATOM 0 HE2 TYR A 68 -32.629 53.578 -11.948 1.00 2.24 H new ATOM 0 HH TYR A 68 -29.751 53.738 -13.830 1.00 61.32 H new ATOM 976 N HIS A 69 -37.353 53.120 -14.764 1.00 65.15 N ATOM 977 CA HIS A 69 -38.153 52.322 -13.844 1.00 73.31 C ATOM 978 C HIS A 69 -37.428 52.136 -12.515 1.00 1.24 C ATOM 979 O HIS A 69 -37.937 51.481 -11.606 1.00 34.01 O ATOM 980 CB HIS A 69 -38.472 50.959 -14.460 1.00 44.13 C ATOM 981 CG HIS A 69 -37.452 50.498 -15.456 1.00 43.44 C ATOM 982 ND1 HIS A 69 -37.780 49.821 -16.611 1.00 4.41 N ATOM 983 CD2 HIS A 69 -36.104 50.625 -15.464 1.00 32.12 C ATOM 984 CE1 HIS A 69 -36.679 49.549 -17.287 1.00 21.04 C ATOM 985 NE2 HIS A 69 -35.647 50.025 -16.612 1.00 44.00 N ATOM 0 H HIS A 69 -36.962 52.595 -15.546 1.00 65.15 H new ATOM 0 HA HIS A 69 -39.086 52.854 -13.658 1.00 73.31 H new ATOM 0 HB2 HIS A 69 -38.550 50.219 -13.664 1.00 44.13 H new ATOM 0 HB3 HIS A 69 -39.446 51.008 -14.946 1.00 44.13 H new ATOM 0 HD2 HIS A 69 -35.501 51.108 -14.709 1.00 32.12 H new ATOM 0 HE1 HIS A 69 -36.630 49.026 -18.231 1.00 21.04 H new ATOM 0 HE2 HIS A 69 -34.670 49.958 -16.897 1.00 44.00 H new ATOM 993 N GLU A 70 -36.237 52.716 -12.410 1.00 25.23 N ATOM 994 CA GLU A 70 -35.441 52.611 -11.193 1.00 13.54 C ATOM 995 C GLU A 70 -35.283 51.154 -10.768 1.00 61.05 C ATOM 996 O GLU A 70 -35.384 50.826 -9.587 1.00 10.15 O ATOM 997 CB GLU A 70 -36.088 53.416 -10.062 1.00 61.45 C ATOM 998 CG GLU A 70 -35.464 54.785 -9.855 1.00 12.13 C ATOM 999 CD GLU A 70 -35.840 55.400 -8.521 1.00 4.23 C ATOM 1000 OE1 GLU A 70 -36.990 55.868 -8.386 1.00 63.03 O ATOM 1001 OE2 GLU A 70 -34.983 55.417 -7.613 1.00 33.23 O ATOM 0 H GLU A 70 -35.802 53.263 -13.153 1.00 25.23 H new ATOM 0 HA GLU A 70 -34.452 53.019 -11.401 1.00 13.54 H new ATOM 0 HB2 GLU A 70 -37.150 53.539 -10.276 1.00 61.45 H new ATOM 0 HB3 GLU A 70 -36.013 52.848 -9.135 1.00 61.45 H new ATOM 0 HG2 GLU A 70 -34.379 54.699 -9.919 1.00 12.13 H new ATOM 0 HG3 GLU A 70 -35.779 55.450 -10.659 1.00 12.13 H new ATOM 1008 N GLY A 71 -35.036 50.284 -11.742 1.00 31.34 N ATOM 1009 CA GLY A 71 -34.870 48.872 -11.451 1.00 44.12 C ATOM 1010 C GLY A 71 -34.292 48.103 -12.623 1.00 0.21 C ATOM 1011 O GLY A 71 -33.086 48.140 -12.862 1.00 23.31 O ATOM 0 H GLY A 71 -34.948 50.532 -12.728 1.00 31.34 H new ATOM 0 HA2 GLY A 71 -34.216 48.757 -10.587 1.00 44.12 H new ATOM 0 HA3 GLY A 71 -35.835 48.444 -11.180 1.00 44.12 H new ATOM 1015 N GLU A 72 -35.155 47.403 -13.353 1.00 44.32 N ATOM 1016 CA GLU A 72 -34.722 46.619 -14.504 1.00 44.42 C ATOM 1017 C GLU A 72 -35.875 46.399 -15.478 1.00 73.21 C ATOM 1018 O GLU A 72 -36.998 46.159 -15.037 1.00 1.30 O ATOM 1019 CB GLU A 72 -34.158 45.271 -14.049 1.00 54.33 C ATOM 1020 CG GLU A 72 -32.686 45.086 -14.372 1.00 71.33 C ATOM 1021 CD GLU A 72 -32.444 44.786 -15.838 1.00 45.14 C ATOM 1022 OE1 GLU A 72 -32.747 45.660 -16.680 1.00 32.34 O ATOM 1023 OE2 GLU A 72 -31.952 43.681 -16.146 1.00 73.20 O ATOM 0 H GLU A 72 -36.157 47.363 -13.168 1.00 44.32 H new ATOM 0 HA GLU A 72 -33.939 47.177 -15.017 1.00 44.42 H new ATOM 0 HB2 GLU A 72 -34.300 45.172 -12.973 1.00 54.33 H new ATOM 0 HB3 GLU A 72 -34.728 44.471 -14.521 1.00 54.33 H new ATOM 0 HG2 GLU A 72 -32.141 45.988 -14.095 1.00 71.33 H new ATOM 0 HG3 GLU A 72 -32.285 44.273 -13.767 1.00 71.33 H new ATOM 1030 N CYS A 73 -35.576 46.484 -16.765 1.00 53.42 N ATOM 1031 CA CYS A 73 -36.595 46.293 -17.784 1.00 40.10 C ATOM 1032 C CYS A 73 -37.390 45.031 -17.439 1.00 33.12 C ATOM 1033 O CYS A 73 -38.616 45.042 -17.328 1.00 22.23 O ATOM 1034 CB CYS A 73 -35.987 46.218 -19.185 1.00 74.34 C ATOM 1035 SG CYS A 73 -34.826 47.610 -19.438 1.00 72.03 S ATOM 0 H CYS A 73 -34.643 46.683 -17.126 1.00 53.42 H new ATOM 0 HA CYS A 73 -37.266 47.152 -17.796 1.00 40.10 H new ATOM 0 HB2 CYS A 73 -35.465 45.270 -19.314 1.00 74.34 H new ATOM 0 HB3 CYS A 73 -36.777 46.251 -19.936 1.00 74.34 H new ATOM 1040 N SER A 74 -36.656 43.934 -17.270 1.00 72.04 N ATOM 1041 CA SER A 74 -37.266 42.652 -16.942 1.00 22.35 C ATOM 1042 C SER A 74 -37.706 42.618 -15.481 1.00 20.24 C ATOM 1043 O SER A 74 -38.887 42.451 -15.181 1.00 61.11 O ATOM 1044 CB SER A 74 -36.284 41.511 -17.217 1.00 45.13 C ATOM 1045 OG SER A 74 -36.045 41.368 -18.606 1.00 3.45 O ATOM 0 H SER A 74 -35.640 43.909 -17.355 1.00 72.04 H new ATOM 0 HA SER A 74 -38.146 42.524 -17.572 1.00 22.35 H new ATOM 0 HB2 SER A 74 -35.344 41.704 -16.701 1.00 45.13 H new ATOM 0 HB3 SER A 74 -36.682 40.579 -16.815 1.00 45.13 H new ATOM 0 HG SER A 74 -35.413 40.634 -18.755 1.00 3.45 H new ATOM 1051 N ALA A 75 -36.745 42.776 -14.576 1.00 43.32 N ATOM 1052 CA ALA A 75 -37.033 42.766 -13.147 1.00 63.32 C ATOM 1053 C ALA A 75 -38.117 43.779 -12.798 1.00 53.30 C ATOM 1054 O ALA A 75 -37.982 44.969 -13.079 1.00 54.11 O ATOM 1055 CB ALA A 75 -35.766 43.051 -12.352 1.00 75.54 C ATOM 0 H ALA A 75 -35.761 42.912 -14.807 1.00 43.32 H new ATOM 0 HA ALA A 75 -37.401 41.775 -12.882 1.00 63.32 H new ATOM 0 HB1 ALA A 75 -35.995 43.041 -11.286 1.00 75.54 H new ATOM 0 HB2 ALA A 75 -35.020 42.287 -12.570 1.00 75.54 H new ATOM 0 HB3 ALA A 75 -35.375 44.030 -12.630 1.00 75.54 H new ATOM 1061 N VAL A 76 -39.194 43.298 -12.185 1.00 72.32 N ATOM 1062 CA VAL A 76 -40.303 44.161 -11.797 1.00 42.53 C ATOM 1063 C VAL A 76 -40.102 44.715 -10.391 1.00 20.10 C ATOM 1064 O VAL A 76 -39.933 43.960 -9.433 1.00 53.21 O ATOM 1065 CB VAL A 76 -41.647 43.410 -11.854 1.00 31.02 C ATOM 1066 CG1 VAL A 76 -41.473 41.969 -11.398 1.00 25.23 C ATOM 1067 CG2 VAL A 76 -42.691 44.122 -11.009 1.00 3.43 C ATOM 0 H VAL A 76 -39.322 42.315 -11.946 1.00 72.32 H new ATOM 0 HA VAL A 76 -40.326 44.985 -12.510 1.00 42.53 H new ATOM 0 HB VAL A 76 -41.994 43.400 -12.887 1.00 31.02 H new ATOM 0 HG11 VAL A 76 -42.433 41.454 -11.445 1.00 25.23 H new ATOM 0 HG12 VAL A 76 -40.759 41.465 -12.049 1.00 25.23 H new ATOM 0 HG13 VAL A 76 -41.103 41.954 -10.373 1.00 25.23 H new ATOM 0 HG21 VAL A 76 -43.634 43.578 -11.061 1.00 3.43 H new ATOM 0 HG22 VAL A 76 -42.353 44.165 -9.974 1.00 3.43 H new ATOM 0 HG23 VAL A 76 -42.835 45.135 -11.386 1.00 3.43 H new ATOM 1077 N PHE A 77 -40.122 46.039 -10.274 1.00 71.42 N ATOM 1078 CA PHE A 77 -39.942 46.695 -8.984 1.00 53.43 C ATOM 1079 C PHE A 77 -41.136 47.587 -8.657 1.00 14.21 C ATOM 1080 O PHE A 77 -41.297 48.662 -9.232 1.00 70.33 O ATOM 1081 CB PHE A 77 -38.657 47.525 -8.985 1.00 73.53 C ATOM 1082 CG PHE A 77 -37.667 47.097 -7.940 1.00 45.42 C ATOM 1083 CD1 PHE A 77 -36.760 46.083 -8.200 1.00 2.51 C ATOM 1084 CD2 PHE A 77 -37.643 47.712 -6.698 1.00 32.34 C ATOM 1085 CE1 PHE A 77 -35.847 45.688 -7.239 1.00 50.32 C ATOM 1086 CE2 PHE A 77 -36.733 47.321 -5.732 1.00 45.44 C ATOM 1087 CZ PHE A 77 -35.834 46.309 -6.004 1.00 51.52 C ATOM 0 H PHE A 77 -40.261 46.678 -11.057 1.00 71.42 H new ATOM 0 HA PHE A 77 -39.867 45.922 -8.219 1.00 53.43 H new ATOM 0 HB2 PHE A 77 -38.190 47.455 -9.967 1.00 73.53 H new ATOM 0 HB3 PHE A 77 -38.911 48.573 -8.826 1.00 73.53 H new ATOM 0 HD1 PHE A 77 -36.766 45.595 -9.164 1.00 2.51 H new ATOM 0 HD2 PHE A 77 -38.343 48.506 -6.482 1.00 32.34 H new ATOM 0 HE1 PHE A 77 -35.145 44.896 -7.453 1.00 50.32 H new ATOM 0 HE2 PHE A 77 -36.726 47.806 -4.767 1.00 45.44 H new ATOM 0 HZ PHE A 77 -35.121 46.003 -5.253 1.00 51.52 H new ATOM 1097 N GLU A 78 -41.971 47.129 -7.727 1.00 43.24 N ATOM 1098 CA GLU A 78 -43.151 47.886 -7.323 1.00 22.45 C ATOM 1099 C GLU A 78 -43.719 47.348 -6.013 1.00 22.00 C ATOM 1100 O GLU A 78 -43.530 46.180 -5.676 1.00 20.12 O ATOM 1101 CB GLU A 78 -44.219 47.829 -8.417 1.00 23.40 C ATOM 1102 CG GLU A 78 -45.433 48.695 -8.127 1.00 73.23 C ATOM 1103 CD GLU A 78 -46.629 48.329 -8.987 1.00 44.25 C ATOM 1104 OE1 GLU A 78 -46.418 47.832 -10.114 1.00 54.23 O ATOM 1105 OE2 GLU A 78 -47.772 48.541 -8.534 1.00 0.03 O ATOM 0 H GLU A 78 -41.852 46.240 -7.241 1.00 43.24 H new ATOM 0 HA GLU A 78 -42.852 48.923 -7.171 1.00 22.45 H new ATOM 0 HB2 GLU A 78 -43.776 48.143 -9.362 1.00 23.40 H new ATOM 0 HB3 GLU A 78 -44.542 46.796 -8.544 1.00 23.40 H new ATOM 0 HG2 GLU A 78 -45.702 48.596 -7.075 1.00 73.23 H new ATOM 0 HG3 GLU A 78 -45.177 49.741 -8.294 1.00 73.23 H new ATOM 1112 N ALA A 79 -44.416 48.210 -5.279 1.00 61.24 N ATOM 1113 CA ALA A 79 -45.015 47.821 -4.009 1.00 12.54 C ATOM 1114 C ALA A 79 -46.172 46.850 -4.219 1.00 42.42 C ATOM 1115 O ALA A 79 -46.732 46.767 -5.311 1.00 55.35 O ATOM 1116 CB ALA A 79 -45.487 49.053 -3.250 1.00 32.13 C ATOM 0 H ALA A 79 -44.579 49.182 -5.543 1.00 61.24 H new ATOM 0 HA ALA A 79 -44.254 47.312 -3.418 1.00 12.54 H new ATOM 0 HB1 ALA A 79 -45.933 48.748 -2.303 1.00 32.13 H new ATOM 0 HB2 ALA A 79 -44.638 49.709 -3.057 1.00 32.13 H new ATOM 0 HB3 ALA A 79 -46.229 49.585 -3.845 1.00 32.13 H new ATOM 1122 N SER A 80 -46.524 46.119 -3.166 1.00 63.23 N ATOM 1123 CA SER A 80 -47.612 45.151 -3.238 1.00 22.31 C ATOM 1124 C SER A 80 -48.944 45.849 -3.489 1.00 71.33 C ATOM 1125 O SER A 80 -49.660 45.520 -4.434 1.00 34.04 O ATOM 1126 CB SER A 80 -47.685 44.339 -1.943 1.00 60.44 C ATOM 1127 OG SER A 80 -48.228 43.051 -2.181 1.00 21.34 O ATOM 0 H SER A 80 -46.072 46.179 -2.254 1.00 63.23 H new ATOM 0 HA SER A 80 -47.412 44.477 -4.071 1.00 22.31 H new ATOM 0 HB2 SER A 80 -46.688 44.243 -1.513 1.00 60.44 H new ATOM 0 HB3 SER A 80 -48.298 44.867 -1.213 1.00 60.44 H new ATOM 0 HG SER A 80 -48.263 42.550 -1.339 1.00 21.34 H new TER 1133 SER A 80 HETATM 1134 ZN ZN A 201 -35.800 65.683 -23.130 1.00 71.31 ZN HETATM 1135 ZN ZN A 401 -35.167 49.812 -18.891 1.00 21.21 ZN