USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 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+ 141:sc= 0.157 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 172:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.039) USER MOD Single : A 3 MET CE :methyl -123:sc= -0.874 (180deg=-3.82!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.875 K(o=-0.87,f=-5.5!) USER MOD Single : A 13 GLN : amide:sc= -0.0402 X(o=-0.04,f=0) 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= -2.48 K(o=-2.5,f=-4.8!) USER MOD Single : A 23 MET CE :methyl -154:sc= -4.66! (180deg=-7.28!) USER MOD Single : A 43 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.34) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 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 69 HIS :FLIP no HD1:sc= 0.244 F(o=-3.6!,f=0.24) 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 -33.634 19.388 -36.684 1.00 13.25 N ATOM 2 CA GLY A 1 -32.551 20.231 -37.155 1.00 70.41 C ATOM 3 C GLY A 1 -32.436 21.520 -36.367 1.00 11.32 C ATOM 4 O GLY A 1 -33.033 22.535 -36.731 1.00 64.50 O ATOM 0 H1 GLY A 1 -33.671 18.519 -37.255 1.00 13.25 H new ATOM 0 H2 GLY A 1 -33.473 19.141 -35.687 1.00 13.25 H new ATOM 0 H3 GLY A 1 -34.535 19.899 -36.773 1.00 13.25 H new ATOM 0 HA2 GLY A 1 -31.612 19.682 -37.087 1.00 70.41 H new ATOM 0 HA3 GLY A 1 -32.708 20.465 -38.208 1.00 70.41 H new ATOM 8 N HIS A 2 -31.668 21.484 -35.283 1.00 44.10 N ATOM 9 CA HIS A 2 -31.477 22.659 -34.440 1.00 71.00 C ATOM 10 C HIS A 2 -31.255 23.906 -35.290 1.00 55.23 C ATOM 11 O HIS A 2 -31.960 24.904 -35.143 1.00 35.20 O ATOM 12 CB HIS A 2 -30.290 22.451 -33.500 1.00 74.14 C ATOM 13 CG HIS A 2 -30.632 21.673 -32.267 1.00 11.23 C ATOM 14 ND1 HIS A 2 -29.719 20.892 -31.591 1.00 0.00 N ATOM 15 CD2 HIS A 2 -31.798 21.559 -31.586 1.00 3.33 C ATOM 16 CE1 HIS A 2 -30.306 20.331 -30.550 1.00 53.30 C ATOM 17 NE2 HIS A 2 -31.568 20.720 -30.524 1.00 72.02 N ATOM 0 H HIS A 2 -31.167 20.653 -34.967 1.00 44.10 H new ATOM 0 HA HIS A 2 -32.380 22.801 -33.846 1.00 71.00 H new ATOM 0 HB2 HIS A 2 -29.497 21.932 -34.039 1.00 74.14 H new ATOM 0 HB3 HIS A 2 -29.894 23.423 -33.208 1.00 74.14 H new ATOM 0 HD2 HIS A 2 -32.734 22.039 -31.833 1.00 3.33 H new ATOM 0 HE1 HIS A 2 -29.835 19.667 -29.841 1.00 53.30 H new ATOM 0 HE2 HIS A 2 -32.260 20.442 -29.828 1.00 72.02 H new ATOM 25 N MET A 3 -30.269 23.843 -36.180 1.00 41.45 N ATOM 26 CA MET A 3 -29.955 24.968 -37.054 1.00 52.11 C ATOM 27 C MET A 3 -30.628 24.805 -38.413 1.00 42.01 C ATOM 28 O MET A 3 -30.542 23.748 -39.035 1.00 1.15 O ATOM 29 CB MET A 3 -28.441 25.095 -37.233 1.00 74.20 C ATOM 30 CG MET A 3 -27.726 25.629 -36.003 1.00 13.33 C ATOM 31 SD MET A 3 -26.536 24.455 -35.326 1.00 55.43 S ATOM 32 CE MET A 3 -27.299 24.070 -33.752 1.00 60.34 C ATOM 0 H MET A 3 -29.674 23.025 -36.315 1.00 41.45 H new ATOM 0 HA MET A 3 -30.336 25.876 -36.587 1.00 52.11 H new ATOM 0 HB2 MET A 3 -28.030 24.118 -37.486 1.00 74.20 H new ATOM 0 HB3 MET A 3 -28.237 25.755 -38.076 1.00 74.20 H new ATOM 0 HG2 MET A 3 -27.211 26.555 -36.260 1.00 13.33 H new ATOM 0 HG3 MET A 3 -28.462 25.876 -35.238 1.00 13.33 H new ATOM 0 HE1 MET A 3 -26.601 24.293 -32.945 1.00 60.34 H new ATOM 0 HE2 MET A 3 -28.201 24.670 -33.628 1.00 60.34 H new ATOM 0 HE3 MET A 3 -27.560 23.012 -33.723 1.00 60.34 H new ATOM 42 N GLY A 4 -31.298 25.860 -38.866 1.00 71.54 N ATOM 43 CA GLY A 4 -31.976 25.813 -40.150 1.00 31.05 C ATOM 44 C GLY A 4 -31.712 27.044 -40.991 1.00 1.44 C ATOM 45 O GLY A 4 -31.644 28.157 -40.469 1.00 42.04 O ATOM 0 H GLY A 4 -31.384 26.746 -38.368 1.00 71.54 H new ATOM 0 HA2 GLY A 4 -31.651 24.927 -40.696 1.00 31.05 H new ATOM 0 HA3 GLY A 4 -33.049 25.712 -39.987 1.00 31.05 H new ATOM 49 N GLU A 5 -31.559 26.846 -42.296 1.00 72.11 N ATOM 50 CA GLU A 5 -31.299 27.952 -43.211 1.00 21.15 C ATOM 51 C GLU A 5 -32.595 28.457 -43.840 1.00 35.25 C ATOM 52 O GLU A 5 -33.585 27.729 -43.910 1.00 42.53 O ATOM 53 CB GLU A 5 -30.323 27.517 -44.307 1.00 14.14 C ATOM 54 CG GLU A 5 -28.968 28.200 -44.222 1.00 74.34 C ATOM 55 CD GLU A 5 -27.946 27.582 -45.155 1.00 65.31 C ATOM 56 OE1 GLU A 5 -27.937 27.947 -46.350 1.00 72.24 O ATOM 57 OE2 GLU A 5 -27.154 26.735 -44.692 1.00 10.34 O ATOM 0 H GLU A 5 -31.610 25.931 -42.744 1.00 72.11 H new ATOM 0 HA GLU A 5 -30.854 28.766 -42.638 1.00 21.15 H new ATOM 0 HB2 GLU A 5 -30.181 26.438 -44.248 1.00 14.14 H new ATOM 0 HB3 GLU A 5 -30.766 27.727 -45.281 1.00 14.14 H new ATOM 0 HG2 GLU A 5 -29.082 29.257 -44.462 1.00 74.34 H new ATOM 0 HG3 GLU A 5 -28.600 28.144 -43.197 1.00 74.34 H new ATOM 64 N GLU A 6 -32.580 29.706 -44.292 1.00 11.11 N ATOM 65 CA GLU A 6 -33.754 30.309 -44.912 1.00 64.33 C ATOM 66 C GLU A 6 -33.796 30.004 -46.407 1.00 62.01 C ATOM 67 O GLU A 6 -32.777 29.669 -47.010 1.00 64.11 O ATOM 68 CB GLU A 6 -33.757 31.821 -44.689 1.00 34.10 C ATOM 69 CG GLU A 6 -34.930 32.311 -43.854 1.00 3.40 C ATOM 70 CD GLU A 6 -34.721 32.089 -42.369 1.00 12.35 C ATOM 71 OE1 GLU A 6 -33.923 32.838 -41.764 1.00 31.22 O ATOM 72 OE2 GLU A 6 -35.354 31.169 -41.811 1.00 53.42 O ATOM 0 H GLU A 6 -31.768 30.321 -44.241 1.00 11.11 H new ATOM 0 HA GLU A 6 -34.640 29.879 -44.445 1.00 64.33 H new ATOM 0 HB2 GLU A 6 -32.827 32.109 -44.199 1.00 34.10 H new ATOM 0 HB3 GLU A 6 -33.776 32.323 -45.657 1.00 34.10 H new ATOM 0 HG2 GLU A 6 -35.085 33.374 -44.041 1.00 3.40 H new ATOM 0 HG3 GLU A 6 -35.837 31.796 -44.171 1.00 3.40 H new ATOM 79 N GLN A 7 -34.980 30.124 -46.996 1.00 31.21 N ATOM 80 CA GLN A 7 -35.155 29.861 -48.420 1.00 74.22 C ATOM 81 C GLN A 7 -34.219 30.729 -49.253 1.00 64.44 C ATOM 82 O GLN A 7 -33.765 31.781 -48.801 1.00 53.22 O ATOM 83 CB GLN A 7 -36.607 30.114 -48.833 1.00 22.30 C ATOM 84 CG GLN A 7 -37.537 28.951 -48.526 1.00 44.35 C ATOM 85 CD GLN A 7 -38.927 29.151 -49.099 1.00 41.25 C ATOM 86 OE1 GLN A 7 -39.711 29.951 -48.589 1.00 54.45 O ATOM 87 NE2 GLN A 7 -39.240 28.421 -50.164 1.00 15.55 N ATOM 0 H GLN A 7 -35.833 30.402 -46.510 1.00 31.21 H new ATOM 0 HA GLN A 7 -34.910 28.815 -48.603 1.00 74.22 H new ATOM 0 HB2 GLN A 7 -36.972 31.005 -48.322 1.00 22.30 H new ATOM 0 HB3 GLN A 7 -36.641 30.323 -49.902 1.00 22.30 H new ATOM 0 HG2 GLN A 7 -37.110 28.033 -48.929 1.00 44.35 H new ATOM 0 HG3 GLN A 7 -37.608 28.822 -47.446 1.00 44.35 H new ATOM 0 HE21 GLN A 7 -38.559 27.770 -50.554 1.00 15.55 H new ATOM 0 HE22 GLN A 7 -40.162 28.512 -50.592 1.00 15.55 H new ATOM 96 N TYR A 8 -33.933 30.282 -50.471 1.00 70.41 N ATOM 97 CA TYR A 8 -33.048 31.017 -51.367 1.00 24.11 C ATOM 98 C TYR A 8 -33.839 31.692 -52.482 1.00 52.44 C ATOM 99 O TYR A 8 -33.281 32.080 -53.507 1.00 60.21 O ATOM 100 CB TYR A 8 -32.001 30.077 -51.967 1.00 62.11 C ATOM 101 CG TYR A 8 -30.770 30.790 -52.478 1.00 13.44 C ATOM 102 CD1 TYR A 8 -29.716 31.097 -51.626 1.00 3.55 C ATOM 103 CD2 TYR A 8 -30.659 31.158 -53.814 1.00 34.41 C ATOM 104 CE1 TYR A 8 -28.589 31.750 -52.088 1.00 41.34 C ATOM 105 CE2 TYR A 8 -29.536 31.809 -54.285 1.00 64.42 C ATOM 106 CZ TYR A 8 -28.504 32.102 -53.419 1.00 21.02 C ATOM 107 OH TYR A 8 -27.384 32.753 -53.884 1.00 43.12 O ATOM 0 H TYR A 8 -34.301 29.414 -50.860 1.00 70.41 H new ATOM 0 HA TYR A 8 -32.544 31.789 -50.786 1.00 24.11 H new ATOM 0 HB2 TYR A 8 -31.702 29.350 -51.212 1.00 62.11 H new ATOM 0 HB3 TYR A 8 -32.453 29.518 -52.786 1.00 62.11 H new ATOM 0 HD1 TYR A 8 -29.779 30.820 -50.584 1.00 3.55 H new ATOM 0 HD2 TYR A 8 -31.465 30.931 -54.496 1.00 34.41 H new ATOM 0 HE1 TYR A 8 -27.780 31.983 -51.411 1.00 41.34 H new ATOM 0 HE2 TYR A 8 -29.466 32.087 -55.326 1.00 64.42 H new ATOM 0 HH TYR A 8 -27.482 32.928 -54.843 1.00 43.12 H new ATOM 117 N ASN A 9 -35.145 31.831 -52.271 1.00 72.23 N ATOM 118 CA ASN A 9 -36.016 32.460 -53.258 1.00 13.21 C ATOM 119 C ASN A 9 -35.931 33.979 -53.168 1.00 12.54 C ATOM 120 O ASN A 9 -35.506 34.529 -52.151 1.00 4.45 O ATOM 121 CB ASN A 9 -37.462 32.006 -53.055 1.00 74.25 C ATOM 122 CG ASN A 9 -37.686 30.572 -53.497 1.00 0.40 C ATOM 123 OD1 ASN A 9 -36.976 29.661 -53.070 1.00 11.40 O ATOM 124 ND2 ASN A 9 -38.675 30.366 -54.358 1.00 13.02 N ATOM 0 H ASN A 9 -35.623 31.517 -51.426 1.00 72.23 H new ATOM 0 HA ASN A 9 -35.682 32.153 -54.249 1.00 13.21 H new ATOM 0 HB2 ASN A 9 -37.726 32.104 -52.002 1.00 74.25 H new ATOM 0 HB3 ASN A 9 -38.128 32.664 -53.613 1.00 74.25 H new ATOM 0 HD21 ASN A 9 -38.872 29.423 -54.692 1.00 13.02 H new ATOM 0 HD22 ASN A 9 -39.238 31.151 -54.685 1.00 13.02 H new ATOM 131 N ARG A 10 -36.338 34.656 -54.238 1.00 72.52 N ATOM 132 CA ARG A 10 -36.308 36.112 -54.280 1.00 34.31 C ATOM 133 C ARG A 10 -37.459 36.703 -53.470 1.00 41.55 C ATOM 134 O ARG A 10 -38.618 36.635 -53.881 1.00 35.41 O ATOM 135 CB ARG A 10 -36.382 36.603 -55.727 1.00 4.45 C ATOM 136 CG ARG A 10 -35.117 36.334 -56.526 1.00 2.21 C ATOM 137 CD ARG A 10 -35.391 36.341 -58.021 1.00 52.41 C ATOM 138 NE ARG A 10 -35.096 35.050 -58.639 1.00 11.20 N ATOM 139 CZ ARG A 10 -35.649 34.635 -59.773 1.00 22.30 C ATOM 140 NH1 ARG A 10 -36.520 35.405 -60.411 1.00 1.40 N ATOM 141 NH2 ARG A 10 -35.330 33.448 -60.272 1.00 64.11 N ATOM 0 H ARG A 10 -36.693 34.218 -55.088 1.00 72.52 H new ATOM 0 HA ARG A 10 -35.368 36.445 -53.839 1.00 34.31 H new ATOM 0 HB2 ARG A 10 -37.224 36.121 -56.223 1.00 4.45 H new ATOM 0 HB3 ARG A 10 -36.582 37.675 -55.729 1.00 4.45 H new ATOM 0 HG2 ARG A 10 -34.368 37.089 -56.289 1.00 2.21 H new ATOM 0 HG3 ARG A 10 -34.700 35.370 -56.236 1.00 2.21 H new ATOM 0 HD2 ARG A 10 -36.436 36.596 -58.197 1.00 52.41 H new ATOM 0 HD3 ARG A 10 -34.789 37.116 -58.496 1.00 52.41 H new ATOM 0 HE ARG A 10 -34.429 34.434 -58.174 1.00 11.20 H new ATOM 0 HH11 ARG A 10 -36.767 36.319 -60.031 1.00 1.40 H new ATOM 0 HH12 ARG A 10 -36.943 35.083 -61.282 1.00 1.40 H new ATOM 0 HH21 ARG A 10 -34.660 32.853 -59.785 1.00 64.11 H new ATOM 0 HH22 ARG A 10 -35.755 33.130 -61.143 1.00 64.11 H new ATOM 155 N TYR A 11 -37.131 37.283 -52.323 1.00 73.00 N ATOM 156 CA TYR A 11 -38.138 37.884 -51.455 1.00 43.33 C ATOM 157 C TYR A 11 -38.126 39.405 -51.579 1.00 30.44 C ATOM 158 O TYR A 11 -37.117 40.052 -51.300 1.00 34.24 O ATOM 159 CB TYR A 11 -37.896 37.477 -50.001 1.00 75.03 C ATOM 160 CG TYR A 11 -39.005 36.628 -49.417 1.00 53.33 C ATOM 161 CD1 TYR A 11 -40.111 37.215 -48.814 1.00 1.52 C ATOM 162 CD2 TYR A 11 -38.947 35.242 -49.469 1.00 25.33 C ATOM 163 CE1 TYR A 11 -41.126 36.445 -48.279 1.00 51.04 C ATOM 164 CE2 TYR A 11 -39.956 34.464 -48.938 1.00 71.30 C ATOM 165 CZ TYR A 11 -41.043 35.070 -48.345 1.00 72.54 C ATOM 166 OH TYR A 11 -42.052 34.298 -47.814 1.00 22.33 O ATOM 0 H TYR A 11 -36.176 37.351 -51.971 1.00 73.00 H new ATOM 0 HA TYR A 11 -39.116 37.520 -51.769 1.00 43.33 H new ATOM 0 HB2 TYR A 11 -36.957 36.927 -49.938 1.00 75.03 H new ATOM 0 HB3 TYR A 11 -37.780 38.376 -49.395 1.00 75.03 H new ATOM 0 HD1 TYR A 11 -40.178 38.292 -48.763 1.00 1.52 H new ATOM 0 HD2 TYR A 11 -38.097 34.764 -49.933 1.00 25.33 H new ATOM 0 HE1 TYR A 11 -41.978 36.917 -47.812 1.00 51.04 H new ATOM 0 HE2 TYR A 11 -39.894 33.387 -48.987 1.00 71.30 H new ATOM 0 HH TYR A 11 -41.841 33.350 -47.943 1.00 22.33 H new ATOM 176 N GLN A 12 -39.255 39.967 -51.997 1.00 72.11 N ATOM 177 CA GLN A 12 -39.375 41.411 -52.157 1.00 53.42 C ATOM 178 C GLN A 12 -39.505 42.101 -50.802 1.00 72.15 C ATOM 179 O GLN A 12 -38.663 42.916 -50.428 1.00 65.23 O ATOM 180 CB GLN A 12 -40.582 41.751 -53.032 1.00 42.25 C ATOM 181 CG GLN A 12 -40.221 42.036 -54.482 1.00 55.11 C ATOM 182 CD GLN A 12 -39.685 40.814 -55.202 1.00 11.24 C ATOM 183 OE1 GLN A 12 -38.835 40.094 -54.677 1.00 52.31 O ATOM 184 NE2 GLN A 12 -40.180 40.573 -56.410 1.00 4.22 N ATOM 0 H GLN A 12 -40.099 39.445 -52.231 1.00 72.11 H new ATOM 0 HA GLN A 12 -38.469 41.772 -52.643 1.00 53.42 H new ATOM 0 HB2 GLN A 12 -41.290 40.923 -52.998 1.00 42.25 H new ATOM 0 HB3 GLN A 12 -41.089 42.621 -52.615 1.00 42.25 H new ATOM 0 HG2 GLN A 12 -41.103 42.404 -55.006 1.00 55.11 H new ATOM 0 HG3 GLN A 12 -39.475 42.830 -54.517 1.00 55.11 H new ATOM 0 HE21 GLN A 12 -40.883 41.196 -56.807 1.00 4.22 H new ATOM 0 HE22 GLN A 12 -39.857 39.765 -56.941 1.00 4.22 H new ATOM 193 N GLN A 13 -40.565 41.767 -50.073 1.00 61.35 N ATOM 194 CA GLN A 13 -40.805 42.354 -48.761 1.00 3.11 C ATOM 195 C GLN A 13 -40.044 41.597 -47.678 1.00 4.41 C ATOM 196 O GLN A 13 -39.645 40.449 -47.873 1.00 72.20 O ATOM 197 CB GLN A 13 -42.301 42.353 -48.444 1.00 51.53 C ATOM 198 CG GLN A 13 -43.025 43.600 -48.925 1.00 73.32 C ATOM 199 CD GLN A 13 -43.658 44.381 -47.789 1.00 31.41 C ATOM 200 OE1 GLN A 13 -43.352 45.556 -47.582 1.00 64.22 O ATOM 201 NE2 GLN A 13 -44.548 43.731 -47.048 1.00 2.13 N ATOM 0 H GLN A 13 -41.271 41.093 -50.369 1.00 61.35 H new ATOM 0 HA GLN A 13 -40.445 43.383 -48.781 1.00 3.11 H new ATOM 0 HB2 GLN A 13 -42.760 41.477 -48.902 1.00 51.53 H new ATOM 0 HB3 GLN A 13 -42.436 42.257 -47.367 1.00 51.53 H new ATOM 0 HG2 GLN A 13 -42.322 44.242 -49.455 1.00 73.32 H new ATOM 0 HG3 GLN A 13 -43.797 43.315 -49.639 1.00 73.32 H new ATOM 0 HE21 GLN A 13 -44.771 42.758 -47.256 1.00 2.13 H new ATOM 0 HE22 GLN A 13 -45.009 44.205 -46.271 1.00 2.13 H new ATOM 210 N TYR A 14 -39.844 42.248 -46.538 1.00 34.04 N ATOM 211 CA TYR A 14 -39.127 41.638 -45.425 1.00 13.23 C ATOM 212 C TYR A 14 -39.723 42.073 -44.089 1.00 21.33 C ATOM 213 O TYR A 14 -40.243 43.181 -43.959 1.00 60.30 O ATOM 214 CB TYR A 14 -37.644 42.010 -45.479 1.00 75.03 C ATOM 215 CG TYR A 14 -36.792 41.254 -44.486 1.00 74.31 C ATOM 216 CD1 TYR A 14 -36.531 39.900 -44.655 1.00 71.42 C ATOM 217 CD2 TYR A 14 -36.249 41.893 -43.378 1.00 43.33 C ATOM 218 CE1 TYR A 14 -35.754 39.203 -43.749 1.00 14.54 C ATOM 219 CE2 TYR A 14 -35.469 41.205 -42.468 1.00 54.01 C ATOM 220 CZ TYR A 14 -35.225 39.860 -42.657 1.00 50.33 C ATOM 221 OH TYR A 14 -34.450 39.171 -41.754 1.00 33.03 O ATOM 0 H TYR A 14 -40.168 43.199 -46.360 1.00 34.04 H new ATOM 0 HA TYR A 14 -39.226 40.556 -45.512 1.00 13.23 H new ATOM 0 HB2 TYR A 14 -37.268 41.822 -46.485 1.00 75.03 H new ATOM 0 HB3 TYR A 14 -37.540 43.079 -45.294 1.00 75.03 H new ATOM 0 HD1 TYR A 14 -36.942 39.383 -45.509 1.00 71.42 H new ATOM 0 HD2 TYR A 14 -36.440 42.945 -43.225 1.00 43.33 H new ATOM 0 HE1 TYR A 14 -35.562 38.150 -43.895 1.00 14.54 H new ATOM 0 HE2 TYR A 14 -35.053 41.717 -41.613 1.00 54.01 H new ATOM 0 HH TYR A 14 -34.155 39.780 -41.045 1.00 33.03 H new ATOM 231 N GLY A 15 -39.643 41.192 -43.097 1.00 21.31 N ATOM 232 CA GLY A 15 -40.177 41.500 -41.783 1.00 23.31 C ATOM 233 C GLY A 15 -39.566 42.755 -41.191 1.00 54.43 C ATOM 234 O GLY A 15 -39.818 43.861 -41.667 1.00 24.12 O ATOM 0 H GLY A 15 -39.217 40.269 -43.180 1.00 21.31 H new ATOM 0 HA2 GLY A 15 -41.258 41.623 -41.853 1.00 23.31 H new ATOM 0 HA3 GLY A 15 -39.995 40.660 -41.113 1.00 23.31 H new ATOM 238 N ALA A 16 -38.762 42.583 -40.147 1.00 43.11 N ATOM 239 CA ALA A 16 -38.113 43.710 -39.489 1.00 34.54 C ATOM 240 C ALA A 16 -36.603 43.511 -39.419 1.00 31.20 C ATOM 241 O ALA A 16 -36.113 42.673 -38.663 1.00 3.52 O ATOM 242 CB ALA A 16 -38.686 43.906 -38.092 1.00 74.21 C ATOM 0 H ALA A 16 -38.545 41.674 -39.739 1.00 43.11 H new ATOM 0 HA ALA A 16 -38.308 44.605 -40.080 1.00 34.54 H new ATOM 0 HB1 ALA A 16 -38.193 44.751 -37.612 1.00 74.21 H new ATOM 0 HB2 ALA A 16 -39.756 44.102 -38.162 1.00 74.21 H new ATOM 0 HB3 ALA A 16 -38.520 43.005 -37.501 1.00 74.21 H new ATOM 248 N GLU A 17 -35.873 44.287 -40.214 1.00 63.51 N ATOM 249 CA GLU A 17 -34.418 44.193 -40.242 1.00 4.21 C ATOM 250 C GLU A 17 -33.810 44.750 -38.959 1.00 32.23 C ATOM 251 O GLU A 17 -32.875 44.174 -38.403 1.00 10.33 O ATOM 252 CB GLU A 17 -33.860 44.947 -41.452 1.00 4.25 C ATOM 253 CG GLU A 17 -33.182 44.048 -42.471 1.00 51.11 C ATOM 254 CD GLU A 17 -33.448 44.481 -43.899 1.00 4.43 C ATOM 255 OE1 GLU A 17 -33.615 45.698 -44.128 1.00 62.32 O ATOM 256 OE2 GLU A 17 -33.488 43.604 -44.789 1.00 14.13 O ATOM 0 H GLU A 17 -36.264 44.986 -40.846 1.00 63.51 H new ATOM 0 HA GLU A 17 -34.150 43.140 -40.322 1.00 4.21 H new ATOM 0 HB2 GLU A 17 -34.672 45.486 -41.939 1.00 4.25 H new ATOM 0 HB3 GLU A 17 -33.145 45.693 -41.106 1.00 4.25 H new ATOM 0 HG2 GLU A 17 -32.107 44.046 -42.290 1.00 51.11 H new ATOM 0 HG3 GLU A 17 -33.530 43.024 -42.335 1.00 51.11 H new ATOM 263 N GLU A 18 -34.350 45.871 -38.492 1.00 44.05 N ATOM 264 CA GLU A 18 -33.860 46.506 -37.275 1.00 11.12 C ATOM 265 C GLU A 18 -34.443 45.830 -36.037 1.00 74.03 C ATOM 266 O GLU A 18 -35.596 46.064 -35.673 1.00 13.02 O ATOM 267 CB GLU A 18 -34.215 47.994 -37.270 1.00 2.41 C ATOM 268 CG GLU A 18 -35.674 48.273 -37.591 1.00 70.43 C ATOM 269 CD GLU A 18 -35.886 48.685 -39.036 1.00 0.13 C ATOM 270 OE1 GLU A 18 -35.032 48.342 -39.881 1.00 12.40 O ATOM 271 OE2 GLU A 18 -36.903 49.350 -39.321 1.00 12.44 O ATOM 0 H GLU A 18 -35.127 46.358 -38.938 1.00 44.05 H new ATOM 0 HA GLU A 18 -32.776 46.399 -37.252 1.00 11.12 H new ATOM 0 HB2 GLU A 18 -33.981 48.411 -36.291 1.00 2.41 H new ATOM 0 HB3 GLU A 18 -33.587 48.511 -37.995 1.00 2.41 H new ATOM 0 HG2 GLU A 18 -36.265 47.382 -37.381 1.00 70.43 H new ATOM 0 HG3 GLU A 18 -36.042 49.062 -36.935 1.00 70.43 H new ATOM 278 N CYS A 19 -33.638 44.990 -35.396 1.00 73.33 N ATOM 279 CA CYS A 19 -34.074 44.277 -34.200 1.00 13.31 C ATOM 280 C CYS A 19 -34.167 45.224 -33.007 1.00 71.34 C ATOM 281 O CYS A 19 -34.072 46.442 -33.159 1.00 73.22 O ATOM 282 CB CYS A 19 -33.110 43.133 -33.882 1.00 44.15 C ATOM 283 SG CYS A 19 -33.916 41.532 -33.646 1.00 4.22 S ATOM 0 H CYS A 19 -32.681 44.786 -35.684 1.00 73.33 H new ATOM 0 HA CYS A 19 -35.064 43.865 -34.394 1.00 13.31 H new ATOM 0 HB2 CYS A 19 -32.386 43.047 -34.692 1.00 44.15 H new ATOM 0 HB3 CYS A 19 -32.552 43.383 -32.980 1.00 44.15 H new ATOM 0 HG CYS A 19 -33.018 40.629 -33.384 1.00 4.22 H new ATOM 289 N VAL A 20 -34.357 44.656 -31.821 1.00 31.41 N ATOM 290 CA VAL A 20 -34.464 45.448 -30.601 1.00 42.54 C ATOM 291 C VAL A 20 -33.398 46.536 -30.557 1.00 1.52 C ATOM 292 O VAL A 20 -33.526 47.518 -29.825 1.00 12.40 O ATOM 293 CB VAL A 20 -34.336 44.567 -29.345 1.00 40.20 C ATOM 294 CG1 VAL A 20 -35.410 43.490 -29.336 1.00 40.00 C ATOM 295 CG2 VAL A 20 -32.948 43.947 -29.269 1.00 11.32 C ATOM 0 H VAL A 20 -34.440 43.649 -31.679 1.00 31.41 H new ATOM 0 HA VAL A 20 -35.451 45.911 -30.610 1.00 42.54 H new ATOM 0 HB VAL A 20 -34.478 45.195 -28.466 1.00 40.20 H new ATOM 0 HG11 VAL A 20 -35.303 42.877 -28.441 1.00 40.00 H new ATOM 0 HG12 VAL A 20 -36.394 43.958 -29.340 1.00 40.00 H new ATOM 0 HG13 VAL A 20 -35.303 42.862 -30.220 1.00 40.00 H new ATOM 0 HG21 VAL A 20 -32.875 43.327 -28.375 1.00 11.32 H new ATOM 0 HG22 VAL A 20 -32.775 43.332 -30.152 1.00 11.32 H new ATOM 0 HG23 VAL A 20 -32.198 44.737 -29.225 1.00 11.32 H new ATOM 305 N LEU A 21 -32.343 46.355 -31.345 1.00 61.14 N ATOM 306 CA LEU A 21 -31.252 47.322 -31.397 1.00 22.13 C ATOM 307 C LEU A 21 -31.788 48.751 -31.365 1.00 22.42 C ATOM 308 O LEU A 21 -31.104 49.669 -30.916 1.00 42.23 O ATOM 309 CB LEU A 21 -30.414 47.107 -32.659 1.00 0.11 C ATOM 310 CG LEU A 21 -31.191 46.760 -33.929 1.00 60.33 C ATOM 311 CD1 LEU A 21 -31.684 48.024 -34.616 1.00 13.11 C ATOM 312 CD2 LEU A 21 -30.326 45.940 -34.876 1.00 34.13 C ATOM 0 H LEU A 21 -32.220 45.548 -31.956 1.00 61.14 H new ATOM 0 HA LEU A 21 -30.623 47.171 -30.520 1.00 22.13 H new ATOM 0 HB2 LEU A 21 -29.837 48.012 -32.846 1.00 0.11 H new ATOM 0 HB3 LEU A 21 -29.699 46.308 -32.465 1.00 0.11 H new ATOM 0 HG LEU A 21 -32.058 46.161 -33.649 1.00 60.33 H new ATOM 0 HD11 LEU A 21 -32.235 47.757 -35.518 1.00 13.11 H new ATOM 0 HD12 LEU A 21 -32.339 48.574 -33.940 1.00 13.11 H new ATOM 0 HD13 LEU A 21 -30.832 48.649 -34.883 1.00 13.11 H new ATOM 0 HD21 LEU A 21 -30.895 45.702 -35.775 1.00 34.13 H new ATOM 0 HD22 LEU A 21 -29.440 46.514 -35.149 1.00 34.13 H new ATOM 0 HD23 LEU A 21 -30.022 45.016 -34.384 1.00 34.13 H new ATOM 324 N GLN A 22 -33.014 48.927 -31.842 1.00 54.24 N ATOM 325 CA GLN A 22 -33.642 50.243 -31.867 1.00 52.21 C ATOM 326 C GLN A 22 -33.327 51.020 -30.594 1.00 71.21 C ATOM 327 O GLN A 22 -33.219 52.246 -30.614 1.00 34.31 O ATOM 328 CB GLN A 22 -35.157 50.107 -32.034 1.00 72.41 C ATOM 329 CG GLN A 22 -35.733 51.002 -33.118 1.00 43.32 C ATOM 330 CD GLN A 22 -34.884 51.017 -34.375 1.00 12.44 C ATOM 331 OE1 GLN A 22 -34.879 50.058 -35.146 1.00 74.42 O ATOM 332 NE2 GLN A 22 -34.161 52.111 -34.587 1.00 33.12 N ATOM 0 H GLN A 22 -33.593 48.176 -32.217 1.00 54.24 H new ATOM 0 HA GLN A 22 -33.239 50.794 -32.717 1.00 52.21 H new ATOM 0 HB2 GLN A 22 -35.397 49.069 -32.266 1.00 72.41 H new ATOM 0 HB3 GLN A 22 -35.641 50.342 -31.086 1.00 72.41 H new ATOM 0 HG2 GLN A 22 -36.739 50.663 -33.367 1.00 43.32 H new ATOM 0 HG3 GLN A 22 -35.825 52.018 -32.734 1.00 43.32 H new ATOM 0 HE21 GLN A 22 -34.196 52.882 -33.921 1.00 33.12 H new ATOM 0 HE22 GLN A 22 -33.571 52.180 -35.416 1.00 33.12 H new ATOM 341 N MET A 23 -33.180 50.299 -29.487 1.00 52.13 N ATOM 342 CA MET A 23 -32.876 50.922 -28.204 1.00 72.14 C ATOM 343 C MET A 23 -31.925 52.100 -28.383 1.00 45.43 C ATOM 344 O MET A 23 -31.969 53.067 -27.625 1.00 2.21 O ATOM 345 CB MET A 23 -32.263 49.897 -27.248 1.00 71.24 C ATOM 346 CG MET A 23 -31.286 48.946 -27.921 1.00 41.43 C ATOM 347 SD MET A 23 -29.727 49.743 -28.349 1.00 44.45 S ATOM 348 CE MET A 23 -28.917 49.786 -26.753 1.00 71.42 C ATOM 0 H MET A 23 -33.266 49.283 -29.453 1.00 52.13 H new ATOM 0 HA MET A 23 -33.809 51.293 -27.779 1.00 72.14 H new ATOM 0 HB2 MET A 23 -31.749 50.424 -26.444 1.00 71.24 H new ATOM 0 HB3 MET A 23 -33.063 49.317 -26.788 1.00 71.24 H new ATOM 0 HG2 MET A 23 -31.089 48.104 -27.258 1.00 41.43 H new ATOM 0 HG3 MET A 23 -31.743 48.541 -28.824 1.00 41.43 H new ATOM 0 HE1 MET A 23 -28.203 50.609 -26.729 1.00 71.42 H new ATOM 0 HE2 MET A 23 -29.662 49.929 -25.971 1.00 71.42 H new ATOM 0 HE3 MET A 23 -28.392 48.846 -26.586 1.00 71.42 H new ATOM 358 N GLY A 24 -31.063 52.010 -29.392 1.00 52.12 N ATOM 359 CA GLY A 24 -30.112 53.075 -29.652 1.00 12.01 C ATOM 360 C GLY A 24 -30.725 54.222 -30.432 1.00 42.32 C ATOM 361 O GLY A 24 -31.922 54.219 -30.715 1.00 12.22 O ATOM 0 H GLY A 24 -31.007 51.219 -30.033 1.00 52.12 H new ATOM 0 HA2 GLY A 24 -29.723 53.450 -28.705 1.00 12.01 H new ATOM 0 HA3 GLY A 24 -29.265 52.674 -30.208 1.00 12.01 H new ATOM 365 N GLY A 25 -29.901 55.207 -30.780 1.00 52.31 N ATOM 366 CA GLY A 25 -30.388 56.352 -31.526 1.00 3.44 C ATOM 367 C GLY A 25 -31.813 56.717 -31.163 1.00 11.30 C ATOM 368 O GLY A 25 -32.672 56.841 -32.037 1.00 42.53 O ATOM 0 H GLY A 25 -28.906 55.232 -30.558 1.00 52.31 H new ATOM 0 HA2 GLY A 25 -29.738 57.207 -31.338 1.00 3.44 H new ATOM 0 HA3 GLY A 25 -30.332 56.137 -32.593 1.00 3.44 H new ATOM 372 N VAL A 26 -32.068 56.888 -29.869 1.00 43.41 N ATOM 373 CA VAL A 26 -33.400 57.241 -29.393 1.00 31.31 C ATOM 374 C VAL A 26 -33.532 58.747 -29.194 1.00 22.00 C ATOM 375 O VAL A 26 -32.540 59.477 -29.222 1.00 5.11 O ATOM 376 CB VAL A 26 -33.730 56.528 -28.069 1.00 22.53 C ATOM 377 CG1 VAL A 26 -33.855 55.027 -28.285 1.00 4.31 C ATOM 378 CG2 VAL A 26 -32.669 56.836 -27.020 1.00 43.15 C ATOM 0 H VAL A 26 -31.370 56.788 -29.132 1.00 43.41 H new ATOM 0 HA VAL A 26 -34.106 56.916 -30.158 1.00 31.31 H new ATOM 0 HB VAL A 26 -34.688 56.899 -27.707 1.00 22.53 H new ATOM 0 HG11 VAL A 26 -34.088 54.541 -27.338 1.00 4.31 H new ATOM 0 HG12 VAL A 26 -34.652 54.828 -29.001 1.00 4.31 H new ATOM 0 HG13 VAL A 26 -32.914 54.635 -28.671 1.00 4.31 H new ATOM 0 HG21 VAL A 26 -32.917 56.324 -26.090 1.00 43.15 H new ATOM 0 HG22 VAL A 26 -31.697 56.493 -27.374 1.00 43.15 H new ATOM 0 HG23 VAL A 26 -32.633 57.911 -26.844 1.00 43.15 H new ATOM 388 N LEU A 27 -34.762 59.207 -28.991 1.00 32.31 N ATOM 389 CA LEU A 27 -35.023 60.626 -28.786 1.00 14.52 C ATOM 390 C LEU A 27 -36.132 60.832 -27.757 1.00 54.02 C ATOM 391 O LEU A 27 -36.935 59.925 -27.547 1.00 65.13 O ATOM 392 CB LEU A 27 -35.409 61.291 -30.108 1.00 62.22 C ATOM 393 CG LEU A 27 -36.592 60.670 -30.851 1.00 13.22 C ATOM 394 CD1 LEU A 27 -37.869 61.446 -30.565 1.00 2.13 C ATOM 395 CD2 LEU A 27 -36.319 60.624 -32.347 1.00 42.22 C ATOM 0 H LEU A 27 -35.594 58.617 -28.964 1.00 32.31 H new ATOM 0 HA LEU A 27 -34.110 61.087 -28.408 1.00 14.52 H new ATOM 0 HB2 LEU A 27 -35.638 62.338 -29.911 1.00 62.22 H new ATOM 0 HB3 LEU A 27 -34.541 61.273 -30.768 1.00 62.22 H new ATOM 0 HG LEU A 27 -36.723 59.648 -30.494 1.00 13.22 H new ATOM 0 HD11 LEU A 27 -38.700 60.989 -31.102 1.00 2.13 H new ATOM 0 HD12 LEU A 27 -38.074 61.427 -29.495 1.00 2.13 H new ATOM 0 HD13 LEU A 27 -37.748 62.479 -30.893 1.00 2.13 H new ATOM 0 HD21 LEU A 27 -37.172 60.179 -32.859 1.00 42.22 H new ATOM 0 HD22 LEU A 27 -36.160 61.636 -32.719 1.00 42.22 H new ATOM 0 HD23 LEU A 27 -35.429 60.024 -32.536 1.00 42.22 H new ATOM 407 N CYS A 28 -36.153 62.008 -27.147 1.00 31.42 N ATOM 408 CA CYS A 28 -37.164 62.317 -26.152 1.00 73.31 C ATOM 409 C CYS A 28 -38.531 62.323 -26.841 1.00 12.52 C ATOM 410 O CYS A 28 -38.731 62.883 -27.919 1.00 44.11 O ATOM 411 CB CYS A 28 -36.876 63.642 -25.444 1.00 3.23 C ATOM 412 SG CYS A 28 -37.096 63.448 -23.637 1.00 50.30 S ATOM 0 H CYS A 28 -35.485 62.758 -27.323 1.00 31.42 H new ATOM 0 HA CYS A 28 -37.154 61.555 -25.372 1.00 73.31 H new ATOM 0 HB2 CYS A 28 -35.858 63.966 -25.662 1.00 3.23 H new ATOM 0 HB3 CYS A 28 -37.545 64.417 -25.819 1.00 3.23 H new ATOM 417 N PRO A 29 -39.500 61.672 -26.183 1.00 73.43 N ATOM 418 CA PRO A 29 -40.873 61.573 -26.690 1.00 32.32 C ATOM 419 C PRO A 29 -41.605 62.909 -26.644 1.00 4.53 C ATOM 420 O PRO A 29 -42.692 63.052 -27.204 1.00 54.04 O ATOM 421 CB PRO A 29 -41.531 60.570 -25.739 1.00 35.23 C ATOM 422 CG PRO A 29 -40.745 60.673 -24.478 1.00 31.53 C ATOM 423 CD PRO A 29 -39.332 60.981 -24.892 1.00 41.23 C ATOM 0 HA PRO A 29 -40.900 61.270 -27.737 1.00 32.32 H new ATOM 0 HB2 PRO A 29 -42.581 60.812 -25.572 1.00 35.23 H new ATOM 0 HB3 PRO A 29 -41.498 59.559 -26.145 1.00 35.23 H new ATOM 0 HG2 PRO A 29 -41.142 61.458 -23.834 1.00 31.53 H new ATOM 0 HG3 PRO A 29 -40.791 59.742 -23.913 1.00 31.53 H new ATOM 0 HD2 PRO A 29 -38.827 61.612 -24.161 1.00 41.23 H new ATOM 0 HD3 PRO A 29 -38.736 60.074 -24.996 1.00 41.23 H new ATOM 431 N ARG A 30 -41.002 63.887 -25.976 1.00 13.03 N ATOM 432 CA ARG A 30 -41.598 65.213 -25.856 1.00 61.54 C ATOM 433 C ARG A 30 -41.707 65.883 -27.222 1.00 20.23 C ATOM 434 O ARG A 30 -40.864 65.699 -28.102 1.00 14.03 O ATOM 435 CB ARG A 30 -40.770 66.085 -24.912 1.00 25.23 C ATOM 436 CG ARG A 30 -40.690 65.543 -23.495 1.00 73.03 C ATOM 437 CD ARG A 30 -41.974 65.807 -22.725 1.00 53.33 C ATOM 438 NE ARG A 30 -41.850 66.954 -21.830 1.00 13.42 N ATOM 439 CZ ARG A 30 -42.732 67.246 -20.881 1.00 35.35 C ATOM 440 NH1 ARG A 30 -43.798 66.476 -20.702 1.00 44.44 N ATOM 441 NH2 ARG A 30 -42.550 68.307 -20.105 1.00 13.52 N ATOM 0 H ARG A 30 -40.101 63.786 -25.509 1.00 13.03 H new ATOM 0 HA ARG A 30 -42.601 65.098 -25.445 1.00 61.54 H new ATOM 0 HB2 ARG A 30 -39.761 66.182 -25.312 1.00 25.23 H new ATOM 0 HB3 ARG A 30 -41.200 67.086 -24.885 1.00 25.23 H new ATOM 0 HG2 ARG A 30 -40.496 64.471 -23.525 1.00 73.03 H new ATOM 0 HG3 ARG A 30 -39.851 66.004 -22.975 1.00 73.03 H new ATOM 0 HD2 ARG A 30 -42.789 65.982 -23.428 1.00 53.33 H new ATOM 0 HD3 ARG A 30 -42.238 64.922 -22.146 1.00 53.33 H new ATOM 0 HE ARG A 30 -41.041 67.565 -21.940 1.00 13.42 H new ATOM 0 HH11 ARG A 30 -43.941 65.658 -21.294 1.00 44.44 H new ATOM 0 HH12 ARG A 30 -44.474 66.702 -19.972 1.00 44.44 H new ATOM 0 HH21 ARG A 30 -41.731 68.901 -20.237 1.00 13.52 H new ATOM 0 HH22 ARG A 30 -43.229 68.529 -19.377 1.00 13.52 H new ATOM 455 N PRO A 31 -42.770 66.681 -27.407 1.00 70.30 N ATOM 456 CA PRO A 31 -43.013 67.395 -28.663 1.00 53.22 C ATOM 457 C PRO A 31 -42.008 68.517 -28.897 1.00 55.11 C ATOM 458 O PRO A 31 -41.425 68.628 -29.976 1.00 14.22 O ATOM 459 CB PRO A 31 -44.422 67.968 -28.478 1.00 0.43 C ATOM 460 CG PRO A 31 -44.590 68.087 -27.002 1.00 31.10 C ATOM 461 CD PRO A 31 -43.813 66.947 -26.404 1.00 73.24 C ATOM 0 HA PRO A 31 -42.914 66.741 -29.529 1.00 53.22 H new ATOM 0 HB2 PRO A 31 -44.523 68.937 -28.968 1.00 0.43 H new ATOM 0 HB3 PRO A 31 -45.177 67.311 -28.911 1.00 0.43 H new ATOM 0 HG2 PRO A 31 -44.216 69.046 -26.643 1.00 31.10 H new ATOM 0 HG3 PRO A 31 -45.642 68.031 -26.723 1.00 31.10 H new ATOM 0 HD2 PRO A 31 -43.383 67.216 -25.439 1.00 73.24 H new ATOM 0 HD3 PRO A 31 -44.444 66.074 -26.239 1.00 73.24 H new ATOM 469 N GLY A 32 -41.808 69.349 -27.878 1.00 43.25 N ATOM 470 CA GLY A 32 -40.872 70.451 -27.994 1.00 52.11 C ATOM 471 C GLY A 32 -39.440 70.024 -27.743 1.00 34.03 C ATOM 472 O GLY A 32 -38.551 70.446 -28.480 1.00 32.43 O ATOM 0 H GLY A 32 -42.278 69.279 -26.975 1.00 43.25 H new ATOM 0 HA2 GLY A 32 -40.949 70.886 -28.991 1.00 52.11 H new ATOM 0 HA3 GLY A 32 -41.145 71.232 -27.284 1.00 52.11 H new ATOM 476 N CYS A 33 -39.240 69.208 -26.718 1.00 55.43 N ATOM 477 CA CYS A 33 -37.907 68.738 -26.384 1.00 23.21 C ATOM 478 C CYS A 33 -37.514 67.655 -27.390 1.00 55.43 C ATOM 479 O CYS A 33 -38.068 66.557 -27.418 1.00 23.51 O ATOM 480 CB CYS A 33 -37.831 68.231 -24.942 1.00 4.15 C ATOM 481 SG CYS A 33 -36.468 67.020 -24.776 1.00 32.04 S ATOM 0 H CYS A 33 -39.980 68.860 -26.108 1.00 55.43 H new ATOM 0 HA CYS A 33 -37.200 69.566 -26.447 1.00 23.21 H new ATOM 0 HB2 CYS A 33 -37.670 69.067 -24.262 1.00 4.15 H new ATOM 0 HB3 CYS A 33 -38.777 67.768 -24.660 1.00 4.15 H new ATOM 486 N GLY A 34 -36.536 67.992 -28.227 1.00 14.35 N ATOM 487 CA GLY A 34 -36.065 67.059 -29.232 1.00 41.14 C ATOM 488 C GLY A 34 -34.668 66.549 -28.941 1.00 21.20 C ATOM 489 O GLY A 34 -33.812 66.527 -29.823 1.00 4.02 O ATOM 0 H GLY A 34 -36.062 68.895 -28.226 1.00 14.35 H new ATOM 0 HA2 GLY A 34 -36.752 66.215 -29.290 1.00 41.14 H new ATOM 0 HA3 GLY A 34 -36.075 67.545 -30.208 1.00 41.14 H new ATOM 493 N ALA A 35 -34.436 66.138 -27.699 1.00 35.15 N ATOM 494 CA ALA A 35 -33.134 65.626 -27.292 1.00 53.13 C ATOM 495 C ALA A 35 -32.451 64.891 -28.441 1.00 31.43 C ATOM 496 O ALA A 35 -31.397 65.307 -28.918 1.00 34.14 O ATOM 497 CB ALA A 35 -33.279 64.708 -26.088 1.00 73.44 C ATOM 0 H ALA A 35 -35.135 66.150 -26.956 1.00 35.15 H new ATOM 0 HA ALA A 35 -32.509 66.474 -27.014 1.00 53.13 H new ATOM 0 HB1 ALA A 35 -32.298 64.333 -25.796 1.00 73.44 H new ATOM 0 HB2 ALA A 35 -33.718 65.263 -25.258 1.00 73.44 H new ATOM 0 HB3 ALA A 35 -33.926 63.869 -26.346 1.00 73.44 H new ATOM 503 N GLY A 36 -33.062 63.794 -28.882 1.00 43.22 N ATOM 504 CA GLY A 36 -32.497 63.019 -29.971 1.00 72.51 C ATOM 505 C GLY A 36 -30.986 62.937 -29.902 1.00 4.33 C ATOM 506 O GLY A 36 -30.292 63.340 -30.837 1.00 25.14 O ATOM 0 H GLY A 36 -33.937 63.429 -28.505 1.00 43.22 H new ATOM 0 HA2 GLY A 36 -32.914 62.012 -29.950 1.00 72.51 H new ATOM 0 HA3 GLY A 36 -32.790 63.466 -30.921 1.00 72.51 H new ATOM 510 N LEU A 37 -30.472 62.417 -28.793 1.00 73.20 N ATOM 511 CA LEU A 37 -29.032 62.286 -28.604 1.00 30.30 C ATOM 512 C LEU A 37 -28.650 60.837 -28.314 1.00 14.03 C ATOM 513 O LEU A 37 -29.406 60.100 -27.678 1.00 43.33 O ATOM 514 CB LEU A 37 -28.563 63.188 -27.461 1.00 50.22 C ATOM 515 CG LEU A 37 -29.495 63.281 -26.253 1.00 72.53 C ATOM 516 CD1 LEU A 37 -29.362 62.044 -25.379 1.00 62.24 C ATOM 517 CD2 LEU A 37 -29.201 64.538 -25.449 1.00 73.21 C ATOM 0 H LEU A 37 -31.032 62.079 -28.010 1.00 73.20 H new ATOM 0 HA LEU A 37 -28.540 62.594 -29.527 1.00 30.30 H new ATOM 0 HB2 LEU A 37 -27.592 62.831 -27.118 1.00 50.22 H new ATOM 0 HB3 LEU A 37 -28.412 64.193 -27.856 1.00 50.22 H new ATOM 0 HG LEU A 37 -30.522 63.336 -26.614 1.00 72.53 H new ATOM 0 HD11 LEU A 37 -30.033 62.129 -24.524 1.00 62.24 H new ATOM 0 HD12 LEU A 37 -29.623 61.159 -25.959 1.00 62.24 H new ATOM 0 HD13 LEU A 37 -28.334 61.957 -25.026 1.00 62.24 H new ATOM 0 HD21 LEU A 37 -29.874 64.588 -24.593 1.00 73.21 H new ATOM 0 HD22 LEU A 37 -28.169 64.513 -25.099 1.00 73.21 H new ATOM 0 HD23 LEU A 37 -29.349 65.415 -26.078 1.00 73.21 H new ATOM 529 N LEU A 38 -27.473 60.435 -28.780 1.00 52.42 N ATOM 530 CA LEU A 38 -26.990 59.076 -28.569 1.00 14.33 C ATOM 531 C LEU A 38 -26.593 58.859 -27.113 1.00 30.44 C ATOM 532 O LEU A 38 -25.613 59.419 -26.620 1.00 44.50 O ATOM 533 CB LEU A 38 -25.797 58.790 -29.483 1.00 11.23 C ATOM 534 CG LEU A 38 -25.704 57.370 -30.041 1.00 54.43 C ATOM 535 CD1 LEU A 38 -25.852 56.346 -28.927 1.00 13.32 C ATOM 536 CD2 LEU A 38 -26.762 57.150 -31.114 1.00 63.22 C ATOM 0 H LEU A 38 -26.835 61.032 -29.307 1.00 52.42 H new ATOM 0 HA LEU A 38 -27.799 58.387 -28.812 1.00 14.33 H new ATOM 0 HB2 LEU A 38 -25.832 59.486 -30.321 1.00 11.23 H new ATOM 0 HB3 LEU A 38 -24.882 59.002 -28.930 1.00 11.23 H new ATOM 0 HG LEU A 38 -24.721 57.242 -30.494 1.00 54.43 H new ATOM 0 HD11 LEU A 38 -25.783 55.342 -29.345 1.00 13.32 H new ATOM 0 HD12 LEU A 38 -25.059 56.489 -28.193 1.00 13.32 H new ATOM 0 HD13 LEU A 38 -26.821 56.472 -28.443 1.00 13.32 H new ATOM 0 HD21 LEU A 38 -26.682 56.134 -31.501 1.00 63.22 H new ATOM 0 HD22 LEU A 38 -27.753 57.298 -30.684 1.00 63.22 H new ATOM 0 HD23 LEU A 38 -26.610 57.861 -31.926 1.00 63.22 H new ATOM 548 N PRO A 39 -27.369 58.027 -26.405 1.00 74.32 N ATOM 549 CA PRO A 39 -27.117 57.714 -24.994 1.00 24.04 C ATOM 550 C PRO A 39 -25.865 56.865 -24.805 1.00 13.15 C ATOM 551 O PRO A 39 -25.462 56.128 -25.703 1.00 1.13 O ATOM 552 CB PRO A 39 -28.364 56.930 -24.577 1.00 3.45 C ATOM 553 CG PRO A 39 -28.879 56.336 -25.841 1.00 35.51 C ATOM 554 CD PRO A 39 -28.554 57.325 -26.926 1.00 61.52 C ATOM 0 HA PRO A 39 -26.944 58.612 -24.401 1.00 24.04 H new ATOM 0 HB2 PRO A 39 -28.120 56.158 -23.847 1.00 3.45 H new ATOM 0 HB3 PRO A 39 -29.105 57.582 -24.115 1.00 3.45 H new ATOM 0 HG2 PRO A 39 -28.410 55.372 -26.039 1.00 35.51 H new ATOM 0 HG3 PRO A 39 -29.953 56.162 -25.781 1.00 35.51 H new ATOM 0 HD2 PRO A 39 -28.342 56.828 -27.873 1.00 61.52 H new ATOM 0 HD3 PRO A 39 -29.381 58.012 -27.105 1.00 61.52 H new ATOM 562 N GLU A 40 -25.255 56.975 -23.628 1.00 34.45 N ATOM 563 CA GLU A 40 -24.048 56.216 -23.321 1.00 31.21 C ATOM 564 C GLU A 40 -24.254 54.729 -23.596 1.00 43.43 C ATOM 565 O GLU A 40 -25.380 54.245 -23.719 1.00 12.13 O ATOM 566 CB GLU A 40 -23.646 56.424 -21.859 1.00 41.33 C ATOM 567 CG GLU A 40 -22.706 57.601 -21.648 1.00 71.01 C ATOM 568 CD GLU A 40 -21.301 57.321 -22.141 1.00 41.12 C ATOM 569 OE1 GLU A 40 -20.564 56.589 -21.448 1.00 25.21 O ATOM 570 OE2 GLU A 40 -20.937 57.834 -23.220 1.00 71.33 O ATOM 0 H GLU A 40 -25.576 57.581 -22.873 1.00 34.45 H new ATOM 0 HA GLU A 40 -23.248 56.579 -23.966 1.00 31.21 H new ATOM 0 HB2 GLU A 40 -24.545 56.576 -21.262 1.00 41.33 H new ATOM 0 HB3 GLU A 40 -23.168 55.517 -21.490 1.00 41.33 H new ATOM 0 HG2 GLU A 40 -23.102 58.474 -22.166 1.00 71.01 H new ATOM 0 HG3 GLU A 40 -22.672 57.848 -20.587 1.00 71.01 H new ATOM 577 N PRO A 41 -23.142 53.987 -23.697 1.00 44.34 N ATOM 578 CA PRO A 41 -23.174 52.546 -23.960 1.00 24.34 C ATOM 579 C PRO A 41 -23.713 51.752 -22.773 1.00 62.14 C ATOM 580 O PRO A 41 -23.680 50.522 -22.771 1.00 43.32 O ATOM 581 CB PRO A 41 -21.705 52.197 -24.211 1.00 4.20 C ATOM 582 CG PRO A 41 -20.938 53.247 -23.482 1.00 24.42 C ATOM 583 CD PRO A 41 -21.767 54.498 -23.563 1.00 32.13 C ATOM 0 HA PRO A 41 -23.833 52.299 -24.792 1.00 24.34 H new ATOM 0 HB2 PRO A 41 -21.465 51.201 -23.839 1.00 4.20 H new ATOM 0 HB3 PRO A 41 -21.472 52.204 -25.276 1.00 4.20 H new ATOM 0 HG2 PRO A 41 -20.769 52.957 -22.445 1.00 24.42 H new ATOM 0 HG3 PRO A 41 -19.958 53.399 -23.934 1.00 24.42 H new ATOM 0 HD2 PRO A 41 -21.652 55.115 -22.672 1.00 32.13 H new ATOM 0 HD3 PRO A 41 -21.482 55.114 -24.416 1.00 32.13 H new ATOM 591 N ASP A 42 -24.210 52.465 -21.769 1.00 20.43 N ATOM 592 CA ASP A 42 -24.758 51.827 -20.577 1.00 13.24 C ATOM 593 C ASP A 42 -26.034 52.530 -20.123 1.00 14.33 C ATOM 594 O ASP A 42 -25.980 53.594 -19.507 1.00 53.21 O ATOM 595 CB ASP A 42 -23.727 51.835 -19.448 1.00 23.34 C ATOM 596 CG ASP A 42 -23.091 50.475 -19.235 1.00 14.40 C ATOM 597 OD1 ASP A 42 -23.840 49.492 -19.058 1.00 25.11 O ATOM 598 OD2 ASP A 42 -21.844 50.395 -19.245 1.00 10.34 O ATOM 0 H ASP A 42 -24.245 53.484 -21.756 1.00 20.43 H new ATOM 0 HA ASP A 42 -25.002 50.795 -20.827 1.00 13.24 H new ATOM 0 HB2 ASP A 42 -22.950 52.565 -19.675 1.00 23.34 H new ATOM 0 HB3 ASP A 42 -24.207 52.157 -18.524 1.00 23.34 H new ATOM 603 N GLN A 43 -27.178 51.928 -20.432 1.00 65.35 N ATOM 604 CA GLN A 43 -28.466 52.497 -20.057 1.00 0.45 C ATOM 605 C GLN A 43 -28.496 52.843 -18.571 1.00 53.44 C ATOM 606 O GLN A 43 -29.319 53.643 -18.128 1.00 32.42 O ATOM 607 CB GLN A 43 -29.596 51.521 -20.389 1.00 2.12 C ATOM 608 CG GLN A 43 -29.748 50.400 -19.374 1.00 13.44 C ATOM 609 CD GLN A 43 -28.615 49.396 -19.437 1.00 50.00 C ATOM 610 OE1 GLN A 43 -27.893 49.196 -18.460 1.00 64.13 O ATOM 611 NE2 GLN A 43 -28.453 48.758 -20.590 1.00 43.01 N ATOM 0 H GLN A 43 -27.239 51.046 -20.941 1.00 65.35 H new ATOM 0 HA GLN A 43 -28.610 53.414 -20.628 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -30.534 52.072 -20.453 1.00 2.12 H new ATOM 0 HB3 GLN A 43 -29.414 51.088 -21.372 1.00 2.12 H new ATOM 0 HG2 GLN A 43 -29.795 50.827 -18.372 1.00 13.44 H new ATOM 0 HG3 GLN A 43 -30.694 49.886 -19.546 1.00 13.44 H new ATOM 0 HE21 GLN A 43 -29.075 48.955 -21.374 1.00 43.01 H new ATOM 0 HE22 GLN A 43 -27.706 48.070 -20.692 1.00 43.01 H new ATOM 620 N ARG A 44 -27.595 52.233 -17.809 1.00 34.05 N ATOM 621 CA ARG A 44 -27.520 52.475 -16.372 1.00 21.03 C ATOM 622 C ARG A 44 -27.837 53.934 -16.049 1.00 31.43 C ATOM 623 O ARG A 44 -28.501 54.230 -15.056 1.00 42.04 O ATOM 624 CB ARG A 44 -26.129 52.117 -15.845 1.00 33.14 C ATOM 625 CG ARG A 44 -25.968 50.643 -15.507 1.00 52.35 C ATOM 626 CD ARG A 44 -24.680 50.077 -16.083 1.00 62.41 C ATOM 627 NE ARG A 44 -24.124 49.019 -15.243 1.00 14.33 N ATOM 628 CZ ARG A 44 -23.061 48.296 -15.580 1.00 33.31 C ATOM 629 NH1 ARG A 44 -22.444 48.515 -16.732 1.00 73.31 N ATOM 630 NH2 ARG A 44 -22.615 47.351 -14.762 1.00 22.30 N ATOM 0 H ARG A 44 -26.907 51.568 -18.161 1.00 34.05 H new ATOM 0 HA ARG A 44 -28.261 51.842 -15.883 1.00 21.03 H new ATOM 0 HB2 ARG A 44 -25.384 52.394 -16.591 1.00 33.14 H new ATOM 0 HB3 ARG A 44 -25.923 52.710 -14.954 1.00 33.14 H new ATOM 0 HG2 ARG A 44 -25.971 50.514 -14.425 1.00 52.35 H new ATOM 0 HG3 ARG A 44 -26.819 50.084 -15.897 1.00 52.35 H new ATOM 0 HD2 ARG A 44 -24.871 49.684 -17.082 1.00 62.41 H new ATOM 0 HD3 ARG A 44 -23.948 50.878 -16.190 1.00 62.41 H new ATOM 0 HE ARG A 44 -24.576 48.825 -14.350 1.00 14.33 H new ATOM 0 HH11 ARG A 44 -22.785 49.240 -17.363 1.00 73.31 H new ATOM 0 HH12 ARG A 44 -21.628 47.958 -16.988 1.00 73.31 H new ATOM 0 HH21 ARG A 44 -23.088 47.180 -13.875 1.00 22.30 H new ATOM 0 HH22 ARG A 44 -21.799 46.796 -15.021 1.00 22.30 H new ATOM 644 N LYS A 45 -27.356 54.839 -16.895 1.00 34.40 N ATOM 645 CA LYS A 45 -27.589 56.266 -16.700 1.00 62.34 C ATOM 646 C LYS A 45 -27.626 56.997 -18.039 1.00 62.11 C ATOM 647 O LYS A 45 -26.586 57.268 -18.638 1.00 43.51 O ATOM 648 CB LYS A 45 -26.498 56.864 -15.810 1.00 4.44 C ATOM 649 CG LYS A 45 -27.039 57.620 -14.610 1.00 52.41 C ATOM 650 CD LYS A 45 -27.457 56.674 -13.497 1.00 3.04 C ATOM 651 CE LYS A 45 -28.899 56.910 -13.077 1.00 61.34 C ATOM 652 NZ LYS A 45 -29.241 56.172 -11.828 1.00 62.02 N ATOM 0 H LYS A 45 -26.803 54.610 -17.721 1.00 34.40 H new ATOM 0 HA LYS A 45 -28.555 56.389 -16.211 1.00 62.34 H new ATOM 0 HB2 LYS A 45 -25.846 56.063 -15.461 1.00 4.44 H new ATOM 0 HB3 LYS A 45 -25.883 57.538 -16.406 1.00 4.44 H new ATOM 0 HG2 LYS A 45 -26.278 58.307 -14.238 1.00 52.41 H new ATOM 0 HG3 LYS A 45 -27.893 58.225 -14.915 1.00 52.41 H new ATOM 0 HD2 LYS A 45 -27.338 55.643 -13.831 1.00 3.04 H new ATOM 0 HD3 LYS A 45 -26.800 56.809 -12.638 1.00 3.04 H new ATOM 0 HE2 LYS A 45 -29.063 57.977 -12.925 1.00 61.34 H new ATOM 0 HE3 LYS A 45 -29.567 56.596 -13.879 1.00 61.34 H new ATOM 0 HZ1 LYS A 45 -29.852 56.765 -11.231 1.00 62.02 H new ATOM 0 HZ2 LYS A 45 -29.742 55.293 -12.070 1.00 62.02 H new ATOM 0 HZ3 LYS A 45 -28.369 55.942 -11.311 1.00 62.02 H new ATOM 666 N VAL A 46 -28.832 57.315 -18.501 1.00 71.31 N ATOM 667 CA VAL A 46 -29.004 58.017 -19.767 1.00 32.15 C ATOM 668 C VAL A 46 -29.738 59.339 -19.566 1.00 73.54 C ATOM 669 O VAL A 46 -30.922 59.358 -19.224 1.00 50.23 O ATOM 670 CB VAL A 46 -29.782 57.159 -20.783 1.00 10.33 C ATOM 671 CG1 VAL A 46 -30.482 58.045 -21.803 1.00 53.14 C ATOM 672 CG2 VAL A 46 -28.849 56.174 -21.471 1.00 40.03 C ATOM 0 H VAL A 46 -29.703 57.097 -18.017 1.00 71.31 H new ATOM 0 HA VAL A 46 -28.006 58.214 -20.159 1.00 32.15 H new ATOM 0 HB VAL A 46 -30.543 56.591 -20.248 1.00 10.33 H new ATOM 0 HG11 VAL A 46 -31.027 57.422 -22.513 1.00 53.14 H new ATOM 0 HG12 VAL A 46 -31.180 58.707 -21.291 1.00 53.14 H new ATOM 0 HG13 VAL A 46 -29.741 58.641 -22.337 1.00 53.14 H new ATOM 0 HG21 VAL A 46 -29.414 55.576 -22.185 1.00 40.03 H new ATOM 0 HG22 VAL A 46 -28.065 56.721 -21.995 1.00 40.03 H new ATOM 0 HG23 VAL A 46 -28.398 55.519 -20.726 1.00 40.03 H new ATOM 682 N THR A 47 -29.029 60.442 -19.781 1.00 74.55 N ATOM 683 CA THR A 47 -29.614 61.768 -19.623 1.00 45.14 C ATOM 684 C THR A 47 -30.179 62.281 -20.943 1.00 35.32 C ATOM 685 O THR A 47 -29.700 61.874 -22.001 1.00 0.41 O ATOM 686 CB THR A 47 -28.578 62.778 -19.095 1.00 4.44 C ATOM 687 OG1 THR A 47 -27.892 62.230 -17.963 1.00 51.13 O ATOM 688 CG2 THR A 47 -29.248 64.086 -18.703 1.00 3.12 C ATOM 0 H THR A 47 -28.049 60.444 -20.065 1.00 74.55 H new ATOM 0 HA THR A 47 -30.422 61.673 -18.898 1.00 45.14 H new ATOM 0 HB THR A 47 -27.862 62.979 -19.891 1.00 4.44 H new ATOM 0 HG1 THR A 47 -27.234 62.878 -17.634 1.00 51.13 H new ATOM 0 HG21 THR A 47 -28.496 64.783 -18.333 1.00 3.12 H new ATOM 0 HG22 THR A 47 -29.745 64.516 -19.573 1.00 3.12 H new ATOM 0 HG23 THR A 47 -29.984 63.898 -17.921 1.00 3.12 H new ATOM 696 N CYS A 48 -31.173 63.152 -20.856 1.00 22.35 N ATOM 697 CA CYS A 48 -31.788 63.708 -22.047 1.00 44.44 C ATOM 698 C CYS A 48 -31.270 65.135 -22.235 1.00 75.03 C ATOM 699 O CYS A 48 -31.372 65.731 -23.307 1.00 22.01 O ATOM 700 CB CYS A 48 -33.315 63.659 -21.972 1.00 74.54 C ATOM 701 SG CYS A 48 -34.017 65.282 -22.443 1.00 60.02 S ATOM 0 H CYS A 48 -31.568 63.486 -19.977 1.00 22.35 H new ATOM 0 HA CYS A 48 -31.514 63.107 -22.914 1.00 44.44 H new ATOM 0 HB2 CYS A 48 -33.695 62.883 -22.636 1.00 74.54 H new ATOM 0 HB3 CYS A 48 -33.630 63.397 -20.962 1.00 74.54 H new ATOM 706 N GLU A 49 -30.711 65.675 -21.156 1.00 41.10 N ATOM 707 CA GLU A 49 -30.171 67.030 -21.174 1.00 23.31 C ATOM 708 C GLU A 49 -28.682 67.017 -21.509 1.00 1.55 C ATOM 709 O GLU A 49 -27.949 66.121 -21.092 1.00 24.02 O ATOM 710 CB GLU A 49 -30.394 67.709 -19.823 1.00 53.54 C ATOM 711 CG GLU A 49 -29.409 67.276 -18.751 1.00 51.25 C ATOM 712 CD GLU A 49 -29.244 68.312 -17.656 1.00 44.12 C ATOM 713 OE1 GLU A 49 -30.233 68.588 -16.946 1.00 43.44 O ATOM 714 OE2 GLU A 49 -28.124 68.845 -17.509 1.00 40.53 O ATOM 0 H GLU A 49 -30.620 65.196 -20.260 1.00 41.10 H new ATOM 0 HA GLU A 49 -30.695 67.593 -21.946 1.00 23.31 H new ATOM 0 HB2 GLU A 49 -30.324 68.789 -19.953 1.00 53.54 H new ATOM 0 HB3 GLU A 49 -31.407 67.494 -19.481 1.00 53.54 H new ATOM 0 HG2 GLU A 49 -29.747 66.338 -18.310 1.00 51.25 H new ATOM 0 HG3 GLU A 49 -28.440 67.082 -19.211 1.00 51.25 H new ATOM 721 N GLY A 50 -28.242 68.019 -22.263 1.00 42.11 N ATOM 722 CA GLY A 50 -26.843 68.105 -22.642 1.00 53.03 C ATOM 723 C GLY A 50 -26.568 69.259 -23.585 1.00 3.42 C ATOM 724 O GLY A 50 -25.696 69.169 -24.450 1.00 72.03 O ATOM 0 H GLY A 50 -28.829 68.773 -22.619 1.00 42.11 H new ATOM 0 HA2 GLY A 50 -26.233 68.219 -21.746 1.00 53.03 H new ATOM 0 HA3 GLY A 50 -26.540 67.172 -23.117 1.00 53.03 H new ATOM 728 N GLY A 51 -27.314 70.348 -23.421 1.00 32.43 N ATOM 729 CA GLY A 51 -27.131 71.508 -24.274 1.00 21.33 C ATOM 730 C GLY A 51 -27.500 72.803 -23.578 1.00 54.32 C ATOM 731 O GLY A 51 -27.204 72.988 -22.399 1.00 2.35 O ATOM 0 H GLY A 51 -28.041 70.447 -22.713 1.00 32.43 H new ATOM 0 HA2 GLY A 51 -26.091 71.557 -24.598 1.00 21.33 H new ATOM 0 HA3 GLY A 51 -27.740 71.395 -25.171 1.00 21.33 H new ATOM 735 N ASN A 52 -28.150 73.702 -24.311 1.00 34.32 N ATOM 736 CA ASN A 52 -28.560 74.987 -23.758 1.00 11.44 C ATOM 737 C ASN A 52 -30.002 74.933 -23.262 1.00 22.12 C ATOM 738 O ASN A 52 -30.261 75.037 -22.063 1.00 44.53 O ATOM 739 CB ASN A 52 -28.411 76.089 -24.808 1.00 22.22 C ATOM 740 CG ASN A 52 -27.358 77.112 -24.427 1.00 43.52 C ATOM 741 OD1 ASN A 52 -26.342 77.257 -25.109 1.00 75.00 O ATOM 742 ND2 ASN A 52 -27.598 77.829 -23.336 1.00 2.12 N ATOM 0 H ASN A 52 -28.404 73.564 -25.289 1.00 34.32 H new ATOM 0 HA ASN A 52 -27.912 75.212 -22.911 1.00 11.44 H new ATOM 0 HB2 ASN A 52 -28.148 75.641 -25.766 1.00 22.22 H new ATOM 0 HB3 ASN A 52 -29.369 76.591 -24.943 1.00 22.22 H new ATOM 0 HD21 ASN A 52 -26.927 78.534 -23.032 1.00 2.12 H new ATOM 0 HD22 ASN A 52 -28.453 77.674 -22.802 1.00 2.12 H new ATOM 749 N GLY A 53 -30.935 74.766 -24.192 1.00 52.53 N ATOM 750 CA GLY A 53 -32.339 74.701 -23.832 1.00 35.40 C ATOM 751 C GLY A 53 -32.793 73.287 -23.526 1.00 33.33 C ATOM 752 O GLY A 53 -33.499 73.052 -22.543 1.00 23.15 O ATOM 0 H GLY A 53 -30.744 74.674 -25.190 1.00 52.53 H new ATOM 0 HA2 GLY A 53 -32.518 75.333 -22.962 1.00 35.40 H new ATOM 0 HA3 GLY A 53 -32.939 75.104 -24.648 1.00 35.40 H new ATOM 756 N LEU A 54 -32.389 72.342 -24.367 1.00 54.51 N ATOM 757 CA LEU A 54 -32.761 70.943 -24.183 1.00 1.04 C ATOM 758 C LEU A 54 -32.428 70.473 -22.770 1.00 14.53 C ATOM 759 O LEU A 54 -31.608 71.079 -22.080 1.00 50.14 O ATOM 760 CB LEU A 54 -32.039 70.064 -25.207 1.00 10.13 C ATOM 761 CG LEU A 54 -32.720 69.927 -26.569 1.00 25.51 C ATOM 762 CD1 LEU A 54 -31.768 69.305 -27.579 1.00 63.22 C ATOM 763 CD2 LEU A 54 -33.989 69.097 -26.449 1.00 51.23 C ATOM 0 H LEU A 54 -31.804 72.519 -25.183 1.00 54.51 H new ATOM 0 HA LEU A 54 -33.837 70.856 -24.332 1.00 1.04 H new ATOM 0 HB2 LEU A 54 -31.038 70.468 -25.362 1.00 10.13 H new ATOM 0 HB3 LEU A 54 -31.919 69.068 -24.781 1.00 10.13 H new ATOM 0 HG LEU A 54 -32.993 70.922 -26.921 1.00 25.51 H new ATOM 0 HD11 LEU A 54 -32.269 69.215 -28.543 1.00 63.22 H new ATOM 0 HD12 LEU A 54 -30.887 69.937 -27.686 1.00 63.22 H new ATOM 0 HD13 LEU A 54 -31.466 68.317 -27.233 1.00 63.22 H new ATOM 0 HD21 LEU A 54 -34.461 69.010 -27.428 1.00 51.23 H new ATOM 0 HD22 LEU A 54 -33.740 68.103 -26.076 1.00 51.23 H new ATOM 0 HD23 LEU A 54 -34.677 69.582 -25.757 1.00 51.23 H new ATOM 775 N GLY A 55 -33.070 69.390 -22.345 1.00 54.53 N ATOM 776 CA GLY A 55 -32.828 68.857 -21.018 1.00 32.25 C ATOM 777 C GLY A 55 -34.075 68.859 -20.155 1.00 72.44 C ATOM 778 O GLY A 55 -34.389 69.888 -19.557 1.00 4.21 O ATOM 0 H GLY A 55 -33.754 68.872 -22.897 1.00 54.53 H new ATOM 0 HA2 GLY A 55 -32.450 67.838 -21.103 1.00 32.25 H new ATOM 0 HA3 GLY A 55 -32.051 69.445 -20.530 1.00 32.25 H new ATOM 782 N CYS A 56 -34.759 67.725 -20.107 1.00 32.31 N ATOM 783 CA CYS A 56 -35.972 67.616 -19.314 1.00 3.42 C ATOM 784 C CYS A 56 -35.584 67.669 -17.834 1.00 64.31 C ATOM 785 O CYS A 56 -36.186 68.375 -17.026 1.00 12.11 O ATOM 786 CB CYS A 56 -36.757 66.347 -19.651 1.00 51.34 C ATOM 787 SG CYS A 56 -37.422 66.458 -21.353 1.00 25.52 S ATOM 0 H CYS A 56 -34.496 66.874 -20.604 1.00 32.31 H new ATOM 0 HA CYS A 56 -36.637 68.448 -19.546 1.00 3.42 H new ATOM 0 HB2 CYS A 56 -36.110 65.474 -19.560 1.00 51.34 H new ATOM 0 HB3 CYS A 56 -37.573 66.214 -18.941 1.00 51.34 H new ATOM 792 N GLY A 57 -34.555 66.899 -17.495 1.00 63.21 N ATOM 793 CA GLY A 57 -34.080 66.854 -16.123 1.00 73.25 C ATOM 794 C GLY A 57 -34.398 65.536 -15.444 1.00 14.41 C ATOM 795 O GLY A 57 -34.342 65.433 -14.218 1.00 43.12 O ATOM 0 H GLY A 57 -34.041 66.305 -18.146 1.00 63.21 H new ATOM 0 HA2 GLY A 57 -33.002 67.016 -16.109 1.00 73.25 H new ATOM 0 HA3 GLY A 57 -34.532 67.669 -15.558 1.00 73.25 H new ATOM 799 N PHE A 58 -34.731 64.527 -16.241 1.00 11.42 N ATOM 800 CA PHE A 58 -35.061 63.209 -15.709 1.00 41.10 C ATOM 801 C PHE A 58 -34.485 62.107 -16.592 1.00 61.42 C ATOM 802 O PHE A 58 -35.025 61.804 -17.657 1.00 32.44 O ATOM 803 CB PHE A 58 -36.578 63.047 -15.594 1.00 2.34 C ATOM 804 CG PHE A 58 -36.994 61.772 -14.919 1.00 72.21 C ATOM 805 CD1 PHE A 58 -36.951 60.565 -15.600 1.00 11.52 C ATOM 806 CD2 PHE A 58 -37.431 61.779 -13.604 1.00 5.40 C ATOM 807 CE1 PHE A 58 -37.335 59.390 -14.981 1.00 50.45 C ATOM 808 CE2 PHE A 58 -37.814 60.607 -12.980 1.00 53.11 C ATOM 809 CZ PHE A 58 -37.767 59.412 -13.670 1.00 42.21 C ATOM 0 H PHE A 58 -34.780 64.596 -17.258 1.00 11.42 H new ATOM 0 HA PHE A 58 -34.618 63.124 -14.717 1.00 41.10 H new ATOM 0 HB2 PHE A 58 -36.985 63.892 -15.039 1.00 2.34 H new ATOM 0 HB3 PHE A 58 -37.016 63.080 -16.592 1.00 2.34 H new ATOM 0 HD1 PHE A 58 -36.614 60.542 -16.626 1.00 11.52 H new ATOM 0 HD2 PHE A 58 -37.473 62.711 -13.060 1.00 5.40 H new ATOM 0 HE1 PHE A 58 -37.297 58.456 -15.522 1.00 50.45 H new ATOM 0 HE2 PHE A 58 -38.150 60.626 -11.954 1.00 53.11 H new ATOM 0 HZ PHE A 58 -38.068 58.495 -13.185 1.00 42.21 H new ATOM 819 N ALA A 59 -33.385 61.511 -16.143 1.00 1.14 N ATOM 820 CA ALA A 59 -32.736 60.441 -16.891 1.00 31.43 C ATOM 821 C ALA A 59 -33.701 59.289 -17.147 1.00 64.42 C ATOM 822 O ALA A 59 -34.587 59.015 -16.337 1.00 44.11 O ATOM 823 CB ALA A 59 -31.506 59.948 -16.145 1.00 23.25 C ATOM 0 H ALA A 59 -32.925 61.751 -15.265 1.00 1.14 H new ATOM 0 HA ALA A 59 -32.425 60.841 -17.856 1.00 31.43 H new ATOM 0 HB1 ALA A 59 -31.031 59.149 -16.714 1.00 23.25 H new ATOM 0 HB2 ALA A 59 -30.803 60.771 -16.019 1.00 23.25 H new ATOM 0 HB3 ALA A 59 -31.801 59.570 -15.166 1.00 23.25 H new ATOM 829 N PHE A 60 -33.522 58.614 -18.278 1.00 21.30 N ATOM 830 CA PHE A 60 -34.377 57.491 -18.642 1.00 21.53 C ATOM 831 C PHE A 60 -33.542 56.261 -18.987 1.00 64.24 C ATOM 832 O PHE A 60 -32.315 56.350 -19.004 1.00 51.31 O ATOM 833 CB PHE A 60 -35.271 57.864 -19.827 1.00 5.12 C ATOM 834 CG PHE A 60 -34.509 58.396 -21.007 1.00 0.34 C ATOM 835 CD1 PHE A 60 -33.782 59.572 -20.907 1.00 1.31 C ATOM 836 CD2 PHE A 60 -34.518 57.721 -22.216 1.00 50.05 C ATOM 837 CE1 PHE A 60 -33.081 60.066 -21.991 1.00 21.42 C ATOM 838 CE2 PHE A 60 -33.818 58.209 -23.303 1.00 10.11 C ATOM 839 CZ PHE A 60 -33.099 59.383 -23.191 1.00 22.11 C ATOM 0 H PHE A 60 -32.792 58.826 -18.958 1.00 21.30 H new ATOM 0 HA PHE A 60 -35.005 57.253 -17.784 1.00 21.53 H new ATOM 0 HB2 PHE A 60 -35.837 56.985 -20.136 1.00 5.12 H new ATOM 0 HB3 PHE A 60 -35.995 58.612 -19.505 1.00 5.12 H new ATOM 0 HD1 PHE A 60 -33.763 60.109 -19.970 1.00 1.31 H new ATOM 0 HD2 PHE A 60 -35.078 56.803 -22.311 1.00 50.05 H new ATOM 0 HE1 PHE A 60 -32.520 60.984 -21.900 1.00 21.42 H new ATOM 0 HE2 PHE A 60 -33.833 57.672 -24.240 1.00 10.11 H new ATOM 0 HZ PHE A 60 -32.552 59.766 -24.040 1.00 22.11 H new ATOM 849 N CYS A 61 -34.217 55.152 -19.254 1.00 14.03 N ATOM 850 CA CYS A 61 -33.528 53.919 -19.596 1.00 12.44 C ATOM 851 C CYS A 61 -33.572 53.750 -21.115 1.00 12.01 C ATOM 852 O CYS A 61 -34.627 53.559 -21.720 1.00 14.41 O ATOM 853 CB CYS A 61 -34.129 52.715 -18.868 1.00 75.22 C ATOM 854 SG CYS A 61 -33.368 51.169 -19.483 1.00 43.24 S ATOM 0 H CYS A 61 -35.234 55.082 -19.240 1.00 14.03 H new ATOM 0 HA CYS A 61 -32.490 53.976 -19.269 1.00 12.44 H new ATOM 0 HB2 CYS A 61 -33.964 52.809 -17.795 1.00 75.22 H new ATOM 0 HB3 CYS A 61 -35.207 52.686 -19.024 1.00 75.22 H new ATOM 859 N ARG A 62 -32.393 53.823 -21.723 1.00 71.33 N ATOM 860 CA ARG A 62 -32.268 53.682 -23.169 1.00 14.50 C ATOM 861 C ARG A 62 -32.656 52.275 -23.613 1.00 3.41 C ATOM 862 O ARG A 62 -33.160 52.081 -24.720 1.00 21.34 O ATOM 863 CB ARG A 62 -30.837 53.993 -23.612 1.00 61.11 C ATOM 864 CG ARG A 62 -30.501 53.467 -24.998 1.00 54.30 C ATOM 865 CD ARG A 62 -29.520 52.307 -24.932 1.00 52.32 C ATOM 866 NE ARG A 62 -28.370 52.611 -24.084 1.00 43.30 N ATOM 867 CZ ARG A 62 -27.533 51.688 -23.622 1.00 10.30 C ATOM 868 NH1 ARG A 62 -27.719 50.411 -23.923 1.00 65.22 N ATOM 869 NH2 ARG A 62 -26.509 52.043 -22.857 1.00 10.31 N ATOM 0 H ARG A 62 -31.510 53.979 -21.237 1.00 71.33 H new ATOM 0 HA ARG A 62 -32.948 54.393 -23.638 1.00 14.50 H new ATOM 0 HB2 ARG A 62 -30.687 55.073 -23.596 1.00 61.11 H new ATOM 0 HB3 ARG A 62 -30.141 53.564 -22.891 1.00 61.11 H new ATOM 0 HG2 ARG A 62 -31.415 53.144 -25.497 1.00 54.30 H new ATOM 0 HG3 ARG A 62 -30.076 54.270 -25.600 1.00 54.30 H new ATOM 0 HD2 ARG A 62 -30.029 51.423 -24.549 1.00 52.32 H new ATOM 0 HD3 ARG A 62 -29.175 52.066 -25.938 1.00 52.32 H new ATOM 0 HE ARG A 62 -28.200 53.585 -23.833 1.00 43.30 H new ATOM 0 HH11 ARG A 62 -28.506 50.135 -24.510 1.00 65.22 H new ATOM 0 HH12 ARG A 62 -27.075 49.704 -23.567 1.00 65.22 H new ATOM 0 HH21 ARG A 62 -26.364 53.025 -22.623 1.00 10.31 H new ATOM 0 HH22 ARG A 62 -25.867 51.334 -22.503 1.00 10.31 H new ATOM 883 N GLU A 63 -32.417 51.298 -22.745 1.00 32.24 N ATOM 884 CA GLU A 63 -32.740 49.910 -23.048 1.00 50.24 C ATOM 885 C GLU A 63 -34.212 49.765 -23.430 1.00 43.11 C ATOM 886 O GLU A 63 -34.520 49.047 -24.380 1.00 44.45 O ATOM 887 CB GLU A 63 -32.423 49.014 -21.849 1.00 43.25 C ATOM 888 CG GLU A 63 -31.559 47.814 -22.199 1.00 63.33 C ATOM 889 CD GLU A 63 -32.379 46.592 -22.566 1.00 62.14 C ATOM 890 OE1 GLU A 63 -33.496 46.765 -23.097 1.00 5.40 O ATOM 891 OE2 GLU A 63 -31.904 45.463 -22.322 1.00 33.41 O ATOM 0 H GLU A 63 -32.000 51.443 -21.825 1.00 32.24 H new ATOM 0 HA GLU A 63 -32.129 49.599 -23.895 1.00 50.24 H new ATOM 0 HB2 GLU A 63 -31.916 49.606 -21.087 1.00 43.25 H new ATOM 0 HB3 GLU A 63 -33.357 48.663 -21.411 1.00 43.25 H new ATOM 0 HG2 GLU A 63 -30.906 48.072 -23.032 1.00 63.33 H new ATOM 0 HG3 GLU A 63 -30.916 47.575 -21.352 1.00 63.33 H new ATOM 898 N CYS A 64 -35.076 50.441 -22.688 1.00 50.23 N ATOM 899 CA CYS A 64 -36.503 50.379 -22.959 1.00 33.34 C ATOM 900 C CYS A 64 -36.981 51.779 -23.344 1.00 2.41 C ATOM 901 O CYS A 64 -38.169 52.032 -23.547 1.00 14.24 O ATOM 902 CB CYS A 64 -37.280 49.817 -21.765 1.00 24.13 C ATOM 903 SG CYS A 64 -36.846 50.741 -20.246 1.00 60.14 S ATOM 0 H CYS A 64 -34.816 51.034 -21.900 1.00 50.23 H new ATOM 0 HA CYS A 64 -36.690 49.694 -23.786 1.00 33.34 H new ATOM 0 HB2 CYS A 64 -38.352 49.889 -21.951 1.00 24.13 H new ATOM 0 HB3 CYS A 64 -37.050 48.759 -21.636 1.00 24.13 H new ATOM 908 N LYS A 65 -36.021 52.693 -23.440 1.00 53.44 N ATOM 909 CA LYS A 65 -36.314 54.075 -23.801 1.00 41.33 C ATOM 910 C LYS A 65 -37.529 54.590 -23.037 1.00 12.22 C ATOM 911 O LYS A 65 -38.285 55.420 -23.542 1.00 45.10 O ATOM 912 CB LYS A 65 -36.558 54.191 -25.306 1.00 4.50 C ATOM 913 CG LYS A 65 -37.299 53.004 -25.897 1.00 34.13 C ATOM 914 CD LYS A 65 -37.411 53.111 -27.408 1.00 12.42 C ATOM 915 CE LYS A 65 -38.862 53.217 -27.853 1.00 73.41 C ATOM 916 NZ LYS A 65 -39.427 51.889 -28.224 1.00 64.22 N ATOM 0 H LYS A 65 -35.033 52.501 -23.273 1.00 53.44 H new ATOM 0 HA LYS A 65 -35.452 54.685 -23.532 1.00 41.33 H new ATOM 0 HB2 LYS A 65 -37.128 55.099 -25.504 1.00 4.50 H new ATOM 0 HB3 LYS A 65 -35.599 54.299 -25.813 1.00 4.50 H new ATOM 0 HG2 LYS A 65 -36.779 52.083 -25.634 1.00 34.13 H new ATOM 0 HG3 LYS A 65 -38.296 52.943 -25.461 1.00 34.13 H new ATOM 0 HD2 LYS A 65 -36.858 53.985 -27.754 1.00 12.42 H new ATOM 0 HD3 LYS A 65 -36.950 52.238 -27.871 1.00 12.42 H new ATOM 0 HE2 LYS A 65 -39.457 53.654 -27.051 1.00 73.41 H new ATOM 0 HE3 LYS A 65 -38.932 53.893 -28.706 1.00 73.41 H new ATOM 0 HZ1 LYS A 65 -40.417 52.004 -28.521 1.00 64.22 H new ATOM 0 HZ2 LYS A 65 -38.875 51.483 -29.007 1.00 64.22 H new ATOM 0 HZ3 LYS A 65 -39.384 51.252 -27.403 1.00 64.22 H new ATOM 930 N GLU A 66 -37.711 54.094 -21.816 1.00 44.15 N ATOM 931 CA GLU A 66 -38.835 54.506 -20.986 1.00 33.53 C ATOM 932 C GLU A 66 -38.346 55.135 -19.683 1.00 74.23 C ATOM 933 O GLU A 66 -37.145 55.196 -19.423 1.00 72.01 O ATOM 934 CB GLU A 66 -39.737 53.308 -20.679 1.00 14.30 C ATOM 935 CG GLU A 66 -41.210 53.573 -20.940 1.00 71.43 C ATOM 936 CD GLU A 66 -42.118 52.666 -20.133 1.00 3.32 C ATOM 937 OE1 GLU A 66 -42.088 52.752 -18.887 1.00 53.52 O ATOM 938 OE2 GLU A 66 -42.859 51.871 -20.748 1.00 75.11 O ATOM 0 H GLU A 66 -37.095 53.407 -21.382 1.00 44.15 H new ATOM 0 HA GLU A 66 -39.408 55.251 -21.538 1.00 33.53 H new ATOM 0 HB2 GLU A 66 -39.417 52.459 -21.282 1.00 14.30 H new ATOM 0 HB3 GLU A 66 -39.607 53.024 -19.635 1.00 14.30 H new ATOM 0 HG2 GLU A 66 -41.436 54.612 -20.702 1.00 71.43 H new ATOM 0 HG3 GLU A 66 -41.417 53.437 -22.001 1.00 71.43 H new ATOM 945 N ALA A 67 -39.288 55.602 -18.868 1.00 44.13 N ATOM 946 CA ALA A 67 -38.953 56.226 -17.594 1.00 74.45 C ATOM 947 C ALA A 67 -38.038 55.328 -16.768 1.00 2.34 C ATOM 948 O ALA A 67 -38.303 54.139 -16.600 1.00 24.31 O ATOM 949 CB ALA A 67 -40.222 56.546 -16.816 1.00 24.33 C ATOM 0 H ALA A 67 -40.287 55.560 -19.068 1.00 44.13 H new ATOM 0 HA ALA A 67 -38.420 57.154 -17.799 1.00 74.45 H new ATOM 0 HB1 ALA A 67 -39.959 57.012 -15.866 1.00 24.33 H new ATOM 0 HB2 ALA A 67 -40.842 57.230 -17.396 1.00 24.33 H new ATOM 0 HB3 ALA A 67 -40.775 55.626 -16.628 1.00 24.33 H new ATOM 955 N TYR A 68 -36.956 55.908 -16.256 1.00 61.30 N ATOM 956 CA TYR A 68 -35.998 55.161 -15.451 1.00 62.42 C ATOM 957 C TYR A 68 -36.701 54.414 -14.320 1.00 63.10 C ATOM 958 O TYR A 68 -37.418 55.011 -13.518 1.00 35.00 O ATOM 959 CB TYR A 68 -34.940 56.103 -14.873 1.00 54.33 C ATOM 960 CG TYR A 68 -33.658 55.406 -14.478 1.00 63.14 C ATOM 961 CD1 TYR A 68 -33.549 54.746 -13.261 1.00 10.02 C ATOM 962 CD2 TYR A 68 -32.556 55.406 -15.325 1.00 63.24 C ATOM 963 CE1 TYR A 68 -32.379 54.109 -12.897 1.00 60.44 C ATOM 964 CE2 TYR A 68 -31.383 54.770 -14.971 1.00 52.01 C ATOM 965 CZ TYR A 68 -31.299 54.123 -13.755 1.00 62.13 C ATOM 966 OH TYR A 68 -30.132 53.488 -13.397 1.00 1.32 O ATOM 0 H TYR A 68 -36.722 56.892 -16.385 1.00 61.30 H new ATOM 0 HA TYR A 68 -35.511 54.431 -16.098 1.00 62.42 H new ATOM 0 HB2 TYR A 68 -34.712 56.875 -15.608 1.00 54.33 H new ATOM 0 HB3 TYR A 68 -35.353 56.607 -14.000 1.00 54.33 H new ATOM 0 HD1 TYR A 68 -34.393 54.731 -12.588 1.00 10.02 H new ATOM 0 HD2 TYR A 68 -32.618 55.912 -16.277 1.00 63.24 H new ATOM 0 HE1 TYR A 68 -32.310 53.603 -11.946 1.00 60.44 H new ATOM 0 HE2 TYR A 68 -30.536 54.779 -15.642 1.00 52.01 H new ATOM 0 HH TYR A 68 -29.516 53.481 -14.159 1.00 1.32 H new ATOM 976 N HIS A 69 -36.490 53.103 -14.265 1.00 62.04 N ATOM 977 CA HIS A 69 -37.101 52.273 -13.234 1.00 32.21 C ATOM 978 C HIS A 69 -36.065 51.837 -12.203 1.00 73.53 C ATOM 979 O HIS A 69 -34.908 51.587 -12.538 1.00 41.14 O ATOM 980 CB HIS A 69 -37.760 51.045 -13.862 1.00 72.35 C ATOM 981 CG HIS A 69 -37.078 50.570 -15.108 1.00 71.31 C ATOM 982 ND1 HIS A 69 -35.765 50.515 -15.433 1.00 73.22 N flip ATOM 983 CD2 HIS A 69 -37.761 50.079 -16.201 1.00 33.33 C flip ATOM 984 CE1 HIS A 69 -35.679 49.996 -16.701 1.00 42.42 C flip ATOM 985 NE2 HIS A 69 -36.898 49.740 -17.141 1.00 32.41 N flip ATOM 0 H HIS A 69 -35.900 52.593 -14.923 1.00 62.04 H new ATOM 0 HA HIS A 69 -37.863 52.867 -12.729 1.00 32.21 H new ATOM 0 HB2 HIS A 69 -37.770 50.235 -13.132 1.00 72.35 H new ATOM 0 HB3 HIS A 69 -38.799 51.279 -14.093 1.00 72.35 H new ATOM 0 HD2 HIS A 69 -38.834 49.986 -16.276 1.00 33.33 H new ATOM 0 HE1 HIS A 69 -34.764 49.825 -17.249 1.00 42.42 H new ATOM 0 HE2 HIS A 69 -37.133 49.347 -18.053 1.00 32.41 H new ATOM 993 N GLU A 70 -36.490 51.749 -10.946 1.00 71.44 N ATOM 994 CA GLU A 70 -35.598 51.344 -9.865 1.00 12.02 C ATOM 995 C GLU A 70 -35.434 49.828 -9.834 1.00 31.33 C ATOM 996 O GLU A 70 -34.946 49.266 -8.855 1.00 30.41 O ATOM 997 CB GLU A 70 -36.132 51.840 -8.520 1.00 60.25 C ATOM 998 CG GLU A 70 -36.246 53.352 -8.429 1.00 70.14 C ATOM 999 CD GLU A 70 -37.663 53.815 -8.149 1.00 21.14 C ATOM 1000 OE1 GLU A 70 -38.158 53.562 -7.030 1.00 51.33 O ATOM 1001 OE2 GLU A 70 -38.275 54.429 -9.046 1.00 50.53 O ATOM 0 H GLU A 70 -37.445 51.952 -10.651 1.00 71.44 H new ATOM 0 HA GLU A 70 -34.621 51.793 -10.047 1.00 12.02 H new ATOM 0 HB2 GLU A 70 -37.113 51.399 -8.344 1.00 60.25 H new ATOM 0 HB3 GLU A 70 -35.476 51.485 -7.725 1.00 60.25 H new ATOM 0 HG2 GLU A 70 -35.587 53.715 -7.641 1.00 70.14 H new ATOM 0 HG3 GLU A 70 -35.901 53.795 -9.363 1.00 70.14 H new ATOM 1008 N GLY A 71 -35.848 49.171 -10.912 1.00 42.20 N ATOM 1009 CA GLY A 71 -35.740 47.725 -10.989 1.00 13.15 C ATOM 1010 C GLY A 71 -35.002 47.262 -12.230 1.00 11.32 C ATOM 1011 O GLY A 71 -33.779 47.129 -12.218 1.00 13.10 O ATOM 0 H GLY A 71 -36.257 49.614 -11.735 1.00 42.20 H new ATOM 0 HA2 GLY A 71 -35.223 47.355 -10.104 1.00 13.15 H new ATOM 0 HA3 GLY A 71 -36.739 47.289 -10.980 1.00 13.15 H new ATOM 1015 N GLU A 72 -35.748 47.017 -13.302 1.00 1.40 N ATOM 1016 CA GLU A 72 -35.157 46.564 -14.556 1.00 13.51 C ATOM 1017 C GLU A 72 -36.221 46.427 -15.641 1.00 0.45 C ATOM 1018 O GLU A 72 -37.393 46.246 -15.315 1.00 60.11 O ATOM 1019 CB GLU A 72 -34.441 45.227 -14.355 1.00 14.34 C ATOM 1020 CG GLU A 72 -33.234 45.041 -15.257 1.00 24.33 C ATOM 1021 CD GLU A 72 -31.921 45.182 -14.512 1.00 31.32 C ATOM 1022 OE1 GLU A 72 -31.922 45.029 -13.271 1.00 43.04 O ATOM 1023 OE2 GLU A 72 -30.891 45.444 -15.167 1.00 3.51 O ATOM 0 H GLU A 72 -36.762 47.124 -13.328 1.00 1.40 H new ATOM 0 HA GLU A 72 -34.431 47.311 -14.876 1.00 13.51 H new ATOM 0 HB2 GLU A 72 -34.123 45.148 -13.316 1.00 14.34 H new ATOM 0 HB3 GLU A 72 -35.147 44.416 -14.535 1.00 14.34 H new ATOM 0 HG2 GLU A 72 -33.280 44.056 -15.721 1.00 24.33 H new ATOM 0 HG3 GLU A 72 -33.271 45.774 -16.063 1.00 24.33 H new ATOM 1030 N CYS A 73 -35.794 46.514 -16.892 1.00 4.15 N ATOM 1031 CA CYS A 73 -36.717 46.398 -18.008 1.00 61.10 C ATOM 1032 C CYS A 73 -37.644 45.211 -17.742 1.00 72.43 C ATOM 1033 O CYS A 73 -38.859 45.351 -17.600 1.00 54.31 O ATOM 1034 CB CYS A 73 -35.979 46.259 -19.341 1.00 13.11 C ATOM 1035 SG CYS A 73 -34.777 47.625 -19.537 1.00 12.14 S ATOM 0 H CYS A 73 -34.821 46.664 -17.158 1.00 4.15 H new ATOM 0 HA CYS A 73 -37.309 47.309 -18.090 1.00 61.10 H new ATOM 0 HB2 CYS A 73 -35.462 45.300 -19.382 1.00 13.11 H new ATOM 0 HB3 CYS A 73 -36.693 46.271 -20.164 1.00 13.11 H new ATOM 1040 N SER A 74 -37.040 44.029 -17.679 1.00 32.11 N ATOM 1041 CA SER A 74 -37.787 42.800 -17.436 1.00 22.45 C ATOM 1042 C SER A 74 -37.725 42.409 -15.963 1.00 24.34 C ATOM 1043 O SER A 74 -38.753 42.259 -15.303 1.00 43.05 O ATOM 1044 CB SER A 74 -37.236 41.664 -18.300 1.00 52.52 C ATOM 1045 OG SER A 74 -38.246 40.715 -18.598 1.00 4.33 O ATOM 0 H SER A 74 -36.035 43.896 -17.793 1.00 32.11 H new ATOM 0 HA SER A 74 -38.829 42.978 -17.703 1.00 22.45 H new ATOM 0 HB2 SER A 74 -36.830 42.071 -19.226 1.00 52.52 H new ATOM 0 HB3 SER A 74 -36.413 41.173 -17.780 1.00 52.52 H new ATOM 0 HG SER A 74 -37.870 40.000 -19.152 1.00 4.33 H new ATOM 1051 N ALA A 75 -36.508 42.245 -15.451 1.00 40.11 N ATOM 1052 CA ALA A 75 -36.310 41.873 -14.056 1.00 22.32 C ATOM 1053 C ALA A 75 -34.895 42.204 -13.595 1.00 61.01 C ATOM 1054 O ALA A 75 -33.996 42.407 -14.413 1.00 14.15 O ATOM 1055 CB ALA A 75 -36.599 40.393 -13.858 1.00 31.34 C ATOM 0 H ALA A 75 -35.645 42.364 -15.982 1.00 40.11 H new ATOM 0 HA ALA A 75 -37.006 42.452 -13.449 1.00 22.32 H new ATOM 0 HB1 ALA A 75 -36.447 40.129 -12.811 1.00 31.34 H new ATOM 0 HB2 ALA A 75 -37.631 40.183 -14.139 1.00 31.34 H new ATOM 0 HB3 ALA A 75 -35.926 39.804 -14.482 1.00 31.34 H new ATOM 1061 N VAL A 76 -34.700 42.256 -12.281 1.00 55.24 N ATOM 1062 CA VAL A 76 -33.394 42.561 -11.712 1.00 45.24 C ATOM 1063 C VAL A 76 -32.496 41.330 -11.707 1.00 2.30 C ATOM 1064 O VAL A 76 -32.926 40.234 -11.348 1.00 14.21 O ATOM 1065 CB VAL A 76 -33.520 43.097 -10.274 1.00 31.14 C ATOM 1066 CG1 VAL A 76 -32.162 43.109 -9.588 1.00 52.22 C ATOM 1067 CG2 VAL A 76 -34.138 44.487 -10.274 1.00 41.41 C ATOM 0 H VAL A 76 -35.432 42.090 -11.590 1.00 55.24 H new ATOM 0 HA VAL A 76 -32.947 43.331 -12.341 1.00 45.24 H new ATOM 0 HB VAL A 76 -34.178 42.432 -9.714 1.00 31.14 H new ATOM 0 HG11 VAL A 76 -32.271 43.491 -8.573 1.00 52.22 H new ATOM 0 HG12 VAL A 76 -31.763 42.095 -9.554 1.00 52.22 H new ATOM 0 HG13 VAL A 76 -31.478 43.750 -10.145 1.00 52.22 H new ATOM 0 HG21 VAL A 76 -34.219 44.849 -9.249 1.00 41.41 H new ATOM 0 HG22 VAL A 76 -33.508 45.165 -10.850 1.00 41.41 H new ATOM 0 HG23 VAL A 76 -35.130 44.444 -10.723 1.00 41.41 H new ATOM 1077 N PHE A 77 -31.243 41.518 -12.109 1.00 64.23 N ATOM 1078 CA PHE A 77 -30.281 40.422 -12.153 1.00 63.31 C ATOM 1079 C PHE A 77 -28.932 40.859 -11.587 1.00 72.43 C ATOM 1080 O PHE A 77 -28.752 42.016 -11.209 1.00 74.44 O ATOM 1081 CB PHE A 77 -30.108 39.923 -13.588 1.00 42.53 C ATOM 1082 CG PHE A 77 -30.524 38.495 -13.783 1.00 61.44 C ATOM 1083 CD1 PHE A 77 -29.635 37.459 -13.537 1.00 15.32 C ATOM 1084 CD2 PHE A 77 -31.806 38.184 -14.209 1.00 20.12 C ATOM 1085 CE1 PHE A 77 -30.017 36.143 -13.715 1.00 45.51 C ATOM 1086 CE2 PHE A 77 -32.193 36.869 -14.388 1.00 5.00 C ATOM 1087 CZ PHE A 77 -31.297 35.847 -14.141 1.00 1.23 C ATOM 0 H PHE A 77 -30.870 42.419 -12.409 1.00 64.23 H new ATOM 0 HA PHE A 77 -30.667 39.609 -11.538 1.00 63.31 H new ATOM 0 HB2 PHE A 77 -30.691 40.557 -14.257 1.00 42.53 H new ATOM 0 HB3 PHE A 77 -29.063 40.031 -13.877 1.00 42.53 H new ATOM 0 HD1 PHE A 77 -28.633 37.683 -13.203 1.00 15.32 H new ATOM 0 HD2 PHE A 77 -32.511 38.979 -14.403 1.00 20.12 H new ATOM 0 HE1 PHE A 77 -29.315 35.346 -13.521 1.00 45.51 H new ATOM 0 HE2 PHE A 77 -33.195 36.641 -14.721 1.00 5.00 H new ATOM 0 HZ PHE A 77 -31.597 34.819 -14.281 1.00 1.23 H new ATOM 1097 N GLU A 78 -27.990 39.922 -11.533 1.00 0.34 N ATOM 1098 CA GLU A 78 -26.658 40.211 -11.011 1.00 74.31 C ATOM 1099 C GLU A 78 -25.581 39.688 -11.956 1.00 3.41 C ATOM 1100 O GLU A 78 -25.856 38.883 -12.845 1.00 15.51 O ATOM 1101 CB GLU A 78 -26.483 39.586 -9.625 1.00 60.31 C ATOM 1102 CG GLU A 78 -25.976 40.563 -8.577 1.00 43.34 C ATOM 1103 CD GLU A 78 -24.493 40.849 -8.717 1.00 74.23 C ATOM 1104 OE1 GLU A 78 -23.684 39.934 -8.459 1.00 71.13 O ATOM 1105 OE2 GLU A 78 -24.141 41.990 -9.085 1.00 71.33 O ATOM 0 H GLU A 78 -28.123 38.959 -11.843 1.00 0.34 H new ATOM 0 HA GLU A 78 -26.553 41.293 -10.929 1.00 74.31 H new ATOM 0 HB2 GLU A 78 -27.439 39.177 -9.297 1.00 60.31 H new ATOM 0 HB3 GLU A 78 -25.787 38.750 -9.698 1.00 60.31 H new ATOM 0 HG2 GLU A 78 -26.532 41.497 -8.657 1.00 43.34 H new ATOM 0 HG3 GLU A 78 -26.172 40.159 -7.584 1.00 43.34 H new ATOM 1112 N ALA A 79 -24.352 40.154 -11.757 1.00 45.31 N ATOM 1113 CA ALA A 79 -23.231 39.734 -12.590 1.00 22.03 C ATOM 1114 C ALA A 79 -22.067 39.244 -11.736 1.00 30.50 C ATOM 1115 O ALA A 79 -21.737 39.846 -10.715 1.00 21.31 O ATOM 1116 CB ALA A 79 -22.784 40.878 -13.488 1.00 72.34 C ATOM 0 H ALA A 79 -24.107 40.822 -11.026 1.00 45.31 H new ATOM 0 HA ALA A 79 -23.564 38.905 -13.214 1.00 22.03 H new ATOM 0 HB1 ALA A 79 -21.947 40.551 -14.104 1.00 72.34 H new ATOM 0 HB2 ALA A 79 -23.611 41.181 -14.130 1.00 72.34 H new ATOM 0 HB3 ALA A 79 -22.474 41.723 -12.873 1.00 72.34 H new ATOM 1122 N SER A 80 -21.449 38.145 -12.162 1.00 13.32 N ATOM 1123 CA SER A 80 -20.324 37.572 -11.433 1.00 64.23 C ATOM 1124 C SER A 80 -19.099 38.477 -11.524 1.00 34.15 C ATOM 1125 O SER A 80 -17.983 38.058 -11.223 1.00 3.15 O ATOM 1126 CB SER A 80 -19.988 36.184 -11.984 1.00 13.30 C ATOM 1127 OG SER A 80 -19.961 35.217 -10.948 1.00 5.45 O ATOM 0 H SER A 80 -21.709 37.635 -13.007 1.00 13.32 H new ATOM 0 HA SER A 80 -20.610 37.482 -10.385 1.00 64.23 H new ATOM 0 HB2 SER A 80 -20.726 35.898 -12.733 1.00 13.30 H new ATOM 0 HB3 SER A 80 -19.020 36.212 -12.485 1.00 13.30 H new ATOM 0 HG SER A 80 -19.746 34.339 -11.326 1.00 5.45 H new TER 1133 SER A 80 HETATM 1134 ZN ZN A 201 -36.221 65.501 -23.066 1.00 54.14 ZN HETATM 1135 ZN ZN A 401 -35.157 49.806 -18.989 1.00 23.13 ZN