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 Single : A 1 GLY N :NH3+ -113:sc= 0.0884 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -3.58! K(o=-3.6!,f=-1.5) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 13 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -115:sc= -5.25! (180deg=-7.49!) USER MOD Single : A 43 GLN : amide:sc= -8.16! C(o=-8.2!,f=-9.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.19 K(o=-1.2,f=-2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -124:sc= 1.1 USER MOD Single : A 69 HIS : no HD1:sc= -5.3! K(o=-5.3!,f=-1.1) 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 -70.133 59.364 -38.580 1.00 40.42 N ATOM 2 CA GLY A 1 -69.117 58.477 -39.115 1.00 61.35 C ATOM 3 C GLY A 1 -68.937 57.228 -38.275 1.00 32.55 C ATOM 4 O GLY A 1 -69.546 57.093 -37.213 1.00 24.41 O ATOM 0 H1 GLY A 1 -70.942 59.399 -39.233 1.00 40.42 H new ATOM 0 H2 GLY A 1 -70.450 59.011 -37.655 1.00 40.42 H new ATOM 0 H3 GLY A 1 -69.736 60.319 -38.469 1.00 40.42 H new ATOM 0 HA2 GLY A 1 -69.387 58.192 -40.132 1.00 61.35 H new ATOM 0 HA3 GLY A 1 -68.168 59.011 -39.175 1.00 61.35 H new ATOM 8 N HIS A 2 -68.101 56.312 -38.751 1.00 64.21 N ATOM 9 CA HIS A 2 -67.844 55.066 -38.037 1.00 21.44 C ATOM 10 C HIS A 2 -66.542 55.154 -37.244 1.00 71.43 C ATOM 11 O HIS A 2 -65.510 55.561 -37.773 1.00 0.34 O ATOM 12 CB HIS A 2 -67.780 53.895 -39.018 1.00 22.55 C ATOM 13 CG HIS A 2 -66.546 53.893 -39.868 1.00 61.41 C ATOM 14 ND1 HIS A 2 -66.035 52.751 -40.449 1.00 10.44 N ATOM 15 CD2 HIS A 2 -65.724 54.904 -40.238 1.00 61.51 C ATOM 16 CE1 HIS A 2 -64.949 53.059 -41.137 1.00 54.25 C ATOM 17 NE2 HIS A 2 -64.740 54.358 -41.025 1.00 53.00 N ATOM 0 H HIS A 2 -67.590 56.408 -39.628 1.00 64.21 H new ATOM 0 HA HIS A 2 -68.664 54.900 -37.339 1.00 21.44 H new ATOM 0 HB2 HIS A 2 -67.828 52.960 -38.459 1.00 22.55 H new ATOM 0 HB3 HIS A 2 -68.657 53.925 -39.665 1.00 22.55 H new ATOM 0 HD2 HIS A 2 -65.824 55.944 -39.965 1.00 61.51 H new ATOM 0 HE1 HIS A 2 -64.337 52.366 -41.696 1.00 54.25 H new ATOM 0 HE2 HIS A 2 -63.971 54.873 -41.454 1.00 53.00 H new ATOM 25 N MET A 3 -66.603 54.767 -35.974 1.00 74.33 N ATOM 26 CA MET A 3 -65.430 54.802 -35.108 1.00 45.12 C ATOM 27 C MET A 3 -65.084 53.405 -34.606 1.00 30.11 C ATOM 28 O MET A 3 -65.822 52.449 -34.841 1.00 34.52 O ATOM 29 CB MET A 3 -65.672 55.738 -33.922 1.00 45.32 C ATOM 30 CG MET A 3 -65.129 57.143 -34.137 1.00 62.51 C ATOM 31 SD MET A 3 -65.416 58.220 -32.720 1.00 53.13 S ATOM 32 CE MET A 3 -66.333 59.553 -33.490 1.00 34.43 C ATOM 0 H MET A 3 -67.451 54.426 -35.522 1.00 74.33 H new ATOM 0 HA MET A 3 -64.590 55.178 -35.692 1.00 45.12 H new ATOM 0 HB2 MET A 3 -66.743 55.797 -33.728 1.00 45.32 H new ATOM 0 HB3 MET A 3 -65.210 55.311 -33.032 1.00 45.32 H new ATOM 0 HG2 MET A 3 -64.059 57.089 -34.337 1.00 62.51 H new ATOM 0 HG3 MET A 3 -65.596 57.578 -35.020 1.00 62.51 H new ATOM 0 HE1 MET A 3 -66.585 60.302 -32.740 1.00 34.43 H new ATOM 0 HE2 MET A 3 -65.724 60.011 -34.270 1.00 34.43 H new ATOM 0 HE3 MET A 3 -67.249 59.158 -33.930 1.00 34.43 H new ATOM 42 N GLY A 4 -63.956 53.292 -33.912 1.00 31.35 N ATOM 43 CA GLY A 4 -63.531 52.007 -33.388 1.00 72.51 C ATOM 44 C GLY A 4 -64.578 51.371 -32.494 1.00 72.25 C ATOM 45 O GLY A 4 -65.529 50.762 -32.981 1.00 61.44 O ATOM 0 H GLY A 4 -63.328 54.068 -33.703 1.00 31.35 H new ATOM 0 HA2 GLY A 4 -63.309 51.335 -34.217 1.00 72.51 H new ATOM 0 HA3 GLY A 4 -62.606 52.135 -32.825 1.00 72.51 H new ATOM 49 N GLU A 5 -64.402 51.513 -31.184 1.00 71.12 N ATOM 50 CA GLU A 5 -65.339 50.945 -30.222 1.00 73.24 C ATOM 51 C GLU A 5 -65.880 49.606 -30.715 1.00 53.14 C ATOM 52 O GLU A 5 -67.022 49.244 -30.431 1.00 43.34 O ATOM 53 CB GLU A 5 -66.496 51.914 -29.970 1.00 41.13 C ATOM 54 CG GLU A 5 -67.502 51.971 -31.108 1.00 32.44 C ATOM 55 CD GLU A 5 -68.471 53.128 -30.972 1.00 41.32 C ATOM 56 OE1 GLU A 5 -68.023 54.291 -31.053 1.00 0.13 O ATOM 57 OE2 GLU A 5 -69.680 52.871 -30.787 1.00 14.44 O ATOM 0 H GLU A 5 -63.620 52.016 -30.765 1.00 71.12 H new ATOM 0 HA GLU A 5 -64.804 50.779 -29.287 1.00 73.24 H new ATOM 0 HB2 GLU A 5 -67.011 51.621 -29.055 1.00 41.13 H new ATOM 0 HB3 GLU A 5 -66.092 52.913 -29.803 1.00 41.13 H new ATOM 0 HG2 GLU A 5 -66.969 52.058 -32.055 1.00 32.44 H new ATOM 0 HG3 GLU A 5 -68.061 51.036 -31.141 1.00 32.44 H new ATOM 64 N GLU A 6 -65.053 48.876 -31.457 1.00 43.13 N ATOM 65 CA GLU A 6 -65.450 47.579 -31.991 1.00 2.43 C ATOM 66 C GLU A 6 -64.264 46.618 -32.025 1.00 15.34 C ATOM 67 O GLU A 6 -63.136 46.999 -31.712 1.00 11.25 O ATOM 68 CB GLU A 6 -66.032 47.737 -33.397 1.00 44.41 C ATOM 69 CG GLU A 6 -67.327 46.972 -33.610 1.00 74.00 C ATOM 70 CD GLU A 6 -68.400 47.814 -34.271 1.00 61.14 C ATOM 71 OE1 GLU A 6 -68.914 48.744 -33.613 1.00 41.00 O ATOM 72 OE2 GLU A 6 -68.727 47.545 -35.445 1.00 53.43 O ATOM 0 H GLU A 6 -64.105 49.161 -31.702 1.00 43.13 H new ATOM 0 HA GLU A 6 -66.214 47.164 -31.334 1.00 2.43 H new ATOM 0 HB2 GLU A 6 -66.209 48.795 -33.591 1.00 44.41 H new ATOM 0 HB3 GLU A 6 -65.296 47.398 -34.126 1.00 44.41 H new ATOM 0 HG2 GLU A 6 -67.129 46.094 -34.225 1.00 74.00 H new ATOM 0 HG3 GLU A 6 -67.694 46.612 -32.649 1.00 74.00 H new ATOM 79 N GLN A 7 -64.529 45.374 -32.407 1.00 4.42 N ATOM 80 CA GLN A 7 -63.484 44.359 -32.481 1.00 20.13 C ATOM 81 C GLN A 7 -62.538 44.636 -33.645 1.00 52.43 C ATOM 82 O GLN A 7 -62.929 44.551 -34.810 1.00 33.20 O ATOM 83 CB GLN A 7 -64.104 42.969 -32.631 1.00 43.21 C ATOM 84 CG GLN A 7 -64.921 42.800 -33.902 1.00 12.40 C ATOM 85 CD GLN A 7 -66.326 42.299 -33.631 1.00 10.44 C ATOM 86 OE1 GLN A 7 -67.224 43.076 -33.308 1.00 41.53 O ATOM 87 NE2 GLN A 7 -66.522 40.992 -33.760 1.00 41.30 N ATOM 0 H GLN A 7 -65.458 45.044 -32.670 1.00 4.42 H new ATOM 0 HA GLN A 7 -62.911 44.395 -31.555 1.00 20.13 H new ATOM 0 HB2 GLN A 7 -63.310 42.223 -32.618 1.00 43.21 H new ATOM 0 HB3 GLN A 7 -64.742 42.770 -31.770 1.00 43.21 H new ATOM 0 HG2 GLN A 7 -64.975 43.755 -34.425 1.00 12.40 H new ATOM 0 HG3 GLN A 7 -64.412 42.101 -34.566 1.00 12.40 H new ATOM 0 HE21 GLN A 7 -65.748 40.384 -34.030 1.00 41.30 H new ATOM 0 HE22 GLN A 7 -67.446 40.596 -33.589 1.00 41.30 H new ATOM 96 N TYR A 8 -61.293 44.967 -33.323 1.00 20.51 N ATOM 97 CA TYR A 8 -60.291 45.258 -34.342 1.00 62.45 C ATOM 98 C TYR A 8 -58.897 44.865 -33.865 1.00 33.34 C ATOM 99 O TYR A 8 -58.614 44.873 -32.668 1.00 54.20 O ATOM 100 CB TYR A 8 -60.318 46.745 -34.704 1.00 73.43 C ATOM 101 CG TYR A 8 -59.988 47.656 -33.544 1.00 21.13 C ATOM 102 CD1 TYR A 8 -58.678 47.816 -33.113 1.00 12.43 C ATOM 103 CD2 TYR A 8 -60.987 48.356 -32.879 1.00 52.45 C ATOM 104 CE1 TYR A 8 -58.370 48.648 -32.053 1.00 73.43 C ATOM 105 CE2 TYR A 8 -60.689 49.190 -31.819 1.00 73.44 C ATOM 106 CZ TYR A 8 -59.380 49.333 -31.409 1.00 42.22 C ATOM 107 OH TYR A 8 -59.078 50.163 -30.353 1.00 65.22 O ATOM 0 H TYR A 8 -60.953 45.041 -32.364 1.00 20.51 H new ATOM 0 HA TYR A 8 -60.531 44.670 -35.228 1.00 62.45 H new ATOM 0 HB2 TYR A 8 -59.608 46.927 -35.511 1.00 73.43 H new ATOM 0 HB3 TYR A 8 -61.307 47.000 -35.085 1.00 73.43 H new ATOM 0 HD1 TYR A 8 -57.885 47.281 -33.615 1.00 12.43 H new ATOM 0 HD2 TYR A 8 -62.014 48.246 -33.196 1.00 52.45 H new ATOM 0 HE1 TYR A 8 -57.345 48.761 -31.731 1.00 73.43 H new ATOM 0 HE2 TYR A 8 -61.478 49.728 -31.314 1.00 73.44 H new ATOM 0 HH TYR A 8 -59.901 50.571 -30.012 1.00 65.22 H new ATOM 117 N ASN A 9 -58.029 44.522 -34.811 1.00 71.41 N ATOM 118 CA ASN A 9 -56.664 44.125 -34.488 1.00 33.13 C ATOM 119 C ASN A 9 -55.891 45.287 -33.869 1.00 31.21 C ATOM 120 O ASN A 9 -55.982 46.424 -34.335 1.00 23.45 O ATOM 121 CB ASN A 9 -55.944 43.631 -35.743 1.00 4.52 C ATOM 122 CG ASN A 9 -56.371 42.231 -36.143 1.00 33.12 C ATOM 123 OD1 ASN A 9 -57.547 41.980 -36.404 1.00 22.00 O ATOM 124 ND2 ASN A 9 -55.414 41.311 -36.188 1.00 62.32 N ATOM 0 H ASN A 9 -58.247 44.511 -35.807 1.00 71.41 H new ATOM 0 HA ASN A 9 -56.711 43.314 -33.761 1.00 33.13 H new ATOM 0 HB2 ASN A 9 -56.143 44.317 -36.566 1.00 4.52 H new ATOM 0 HB3 ASN A 9 -54.868 43.644 -35.570 1.00 4.52 H new ATOM 0 HD21 ASN A 9 -55.641 40.351 -36.447 1.00 62.32 H new ATOM 0 HD22 ASN A 9 -54.452 41.565 -35.963 1.00 62.32 H new ATOM 131 N ARG A 10 -55.132 44.993 -32.819 1.00 50.44 N ATOM 132 CA ARG A 10 -54.345 46.012 -32.136 1.00 54.52 C ATOM 133 C ARG A 10 -53.075 45.412 -31.542 1.00 22.41 C ATOM 134 O ARG A 10 -53.135 44.589 -30.628 1.00 22.22 O ATOM 135 CB ARG A 10 -55.174 46.674 -31.034 1.00 5.13 C ATOM 136 CG ARG A 10 -54.372 47.616 -30.151 1.00 64.40 C ATOM 137 CD ARG A 10 -55.273 48.407 -29.216 1.00 63.14 C ATOM 138 NE ARG A 10 -55.775 47.588 -28.116 1.00 21.11 N ATOM 139 CZ ARG A 10 -55.158 47.473 -26.945 1.00 53.22 C ATOM 140 NH1 ARG A 10 -54.024 48.123 -26.723 1.00 31.24 N ATOM 141 NH2 ARG A 10 -55.677 46.708 -25.993 1.00 20.41 N ATOM 0 H ARG A 10 -55.045 44.057 -32.423 1.00 50.44 H new ATOM 0 HA ARG A 10 -54.060 46.766 -32.869 1.00 54.52 H new ATOM 0 HB2 ARG A 10 -55.994 47.228 -31.491 1.00 5.13 H new ATOM 0 HB3 ARG A 10 -55.621 45.899 -30.412 1.00 5.13 H new ATOM 0 HG2 ARG A 10 -53.652 47.043 -29.566 1.00 64.40 H new ATOM 0 HG3 ARG A 10 -53.801 48.303 -30.775 1.00 64.40 H new ATOM 0 HD2 ARG A 10 -54.721 49.256 -28.813 1.00 63.14 H new ATOM 0 HD3 ARG A 10 -56.114 48.812 -29.779 1.00 63.14 H new ATOM 0 HE ARG A 10 -56.647 47.077 -28.254 1.00 21.11 H new ATOM 0 HH11 ARG A 10 -53.623 48.713 -27.452 1.00 31.24 H new ATOM 0 HH12 ARG A 10 -53.552 48.033 -25.823 1.00 31.24 H new ATOM 0 HH21 ARG A 10 -56.550 46.208 -26.160 1.00 20.41 H new ATOM 0 HH22 ARG A 10 -55.203 46.620 -25.094 1.00 20.41 H new ATOM 155 N TYR A 11 -51.927 45.827 -32.067 1.00 73.05 N ATOM 156 CA TYR A 11 -50.643 45.327 -31.590 1.00 41.11 C ATOM 157 C TYR A 11 -49.569 46.406 -31.686 1.00 51.40 C ATOM 158 O TYR A 11 -49.591 47.239 -32.591 1.00 2.12 O ATOM 159 CB TYR A 11 -50.220 44.098 -32.395 1.00 43.52 C ATOM 160 CG TYR A 11 -50.776 42.799 -31.857 1.00 13.35 C ATOM 161 CD1 TYR A 11 -50.563 42.426 -30.536 1.00 24.24 C ATOM 162 CD2 TYR A 11 -51.514 41.948 -32.669 1.00 34.41 C ATOM 163 CE1 TYR A 11 -51.068 41.239 -30.040 1.00 10.21 C ATOM 164 CE2 TYR A 11 -52.025 40.760 -32.180 1.00 44.43 C ATOM 165 CZ TYR A 11 -51.798 40.409 -30.864 1.00 52.55 C ATOM 166 OH TYR A 11 -52.304 39.228 -30.374 1.00 61.12 O ATOM 0 H TYR A 11 -51.860 46.508 -32.823 1.00 73.05 H new ATOM 0 HA TYR A 11 -50.757 45.046 -30.543 1.00 41.11 H new ATOM 0 HB2 TYR A 11 -50.545 44.222 -33.428 1.00 43.52 H new ATOM 0 HB3 TYR A 11 -49.132 44.040 -32.408 1.00 43.52 H new ATOM 0 HD1 TYR A 11 -49.994 43.074 -29.886 1.00 24.24 H new ATOM 0 HD2 TYR A 11 -51.692 42.219 -33.699 1.00 34.41 H new ATOM 0 HE1 TYR A 11 -50.891 40.963 -29.011 1.00 10.21 H new ATOM 0 HE2 TYR A 11 -52.599 40.110 -32.824 1.00 44.43 H new ATOM 0 HH TYR A 11 -52.794 38.763 -31.084 1.00 61.12 H new ATOM 176 N GLN A 12 -48.632 46.384 -30.745 1.00 22.24 N ATOM 177 CA GLN A 12 -47.549 47.360 -30.721 1.00 61.30 C ATOM 178 C GLN A 12 -46.683 47.243 -31.971 1.00 61.44 C ATOM 179 O GLN A 12 -46.344 48.245 -32.599 1.00 72.32 O ATOM 180 CB GLN A 12 -46.689 47.170 -29.471 1.00 54.31 C ATOM 181 CG GLN A 12 -46.449 45.712 -29.114 1.00 31.14 C ATOM 182 CD GLN A 12 -47.105 45.316 -27.805 1.00 45.34 C ATOM 183 OE1 GLN A 12 -46.790 45.864 -26.749 1.00 11.54 O ATOM 184 NE2 GLN A 12 -48.023 44.360 -27.870 1.00 71.34 N ATOM 0 H GLN A 12 -48.600 45.701 -29.988 1.00 22.24 H new ATOM 0 HA GLN A 12 -47.992 48.356 -30.700 1.00 61.30 H new ATOM 0 HB2 GLN A 12 -45.728 47.661 -29.623 1.00 54.31 H new ATOM 0 HB3 GLN A 12 -47.171 47.667 -28.629 1.00 54.31 H new ATOM 0 HG2 GLN A 12 -46.832 45.078 -29.914 1.00 31.14 H new ATOM 0 HG3 GLN A 12 -45.376 45.530 -29.048 1.00 31.14 H new ATOM 0 HE21 GLN A 12 -48.252 43.933 -28.768 1.00 71.34 H new ATOM 0 HE22 GLN A 12 -48.499 44.052 -27.022 1.00 71.34 H new ATOM 193 N GLN A 13 -46.329 46.010 -32.325 1.00 43.52 N ATOM 194 CA GLN A 13 -45.501 45.763 -33.500 1.00 71.42 C ATOM 195 C GLN A 13 -45.911 44.466 -34.191 1.00 33.14 C ATOM 196 O GLN A 13 -46.621 43.642 -33.615 1.00 75.22 O ATOM 197 CB GLN A 13 -44.024 45.701 -33.105 1.00 63.11 C ATOM 198 CG GLN A 13 -43.427 47.057 -32.766 1.00 71.23 C ATOM 199 CD GLN A 13 -42.286 47.438 -33.688 1.00 42.10 C ATOM 200 OE1 GLN A 13 -42.222 46.991 -34.833 1.00 23.20 O ATOM 201 NE2 GLN A 13 -41.377 48.271 -33.194 1.00 75.45 N ATOM 0 H GLN A 13 -46.602 45.169 -31.816 1.00 43.52 H new ATOM 0 HA GLN A 13 -45.648 46.587 -34.198 1.00 71.42 H new ATOM 0 HB2 GLN A 13 -43.914 45.040 -32.245 1.00 63.11 H new ATOM 0 HB3 GLN A 13 -43.456 45.258 -33.923 1.00 63.11 H new ATOM 0 HG2 GLN A 13 -44.206 47.818 -32.824 1.00 71.23 H new ATOM 0 HG3 GLN A 13 -43.069 47.045 -31.737 1.00 71.23 H new ATOM 0 HE21 GLN A 13 -41.468 48.618 -32.239 1.00 75.45 H new ATOM 0 HE22 GLN A 13 -40.587 48.564 -33.770 1.00 75.45 H new ATOM 210 N TYR A 14 -45.458 44.292 -35.427 1.00 51.32 N ATOM 211 CA TYR A 14 -45.781 43.097 -36.197 1.00 1.45 C ATOM 212 C TYR A 14 -45.065 41.875 -35.631 1.00 21.41 C ATOM 213 O TYR A 14 -43.849 41.883 -35.447 1.00 32.14 O ATOM 214 CB TYR A 14 -45.395 43.292 -37.666 1.00 53.34 C ATOM 215 CG TYR A 14 -46.583 43.407 -38.592 1.00 62.42 C ATOM 216 CD1 TYR A 14 -47.407 42.314 -38.837 1.00 3.31 C ATOM 217 CD2 TYR A 14 -46.884 44.608 -39.223 1.00 20.33 C ATOM 218 CE1 TYR A 14 -48.494 42.415 -39.685 1.00 21.22 C ATOM 219 CE2 TYR A 14 -47.970 44.718 -40.070 1.00 71.00 C ATOM 220 CZ TYR A 14 -48.771 43.619 -40.298 1.00 52.12 C ATOM 221 OH TYR A 14 -49.853 43.724 -41.142 1.00 21.44 O ATOM 0 H TYR A 14 -44.866 44.963 -35.917 1.00 51.32 H new ATOM 0 HA TYR A 14 -46.856 42.931 -36.129 1.00 1.45 H new ATOM 0 HB2 TYR A 14 -44.785 44.191 -37.757 1.00 53.34 H new ATOM 0 HB3 TYR A 14 -44.776 42.454 -37.985 1.00 53.34 H new ATOM 0 HD1 TYR A 14 -47.194 41.370 -38.357 1.00 3.31 H new ATOM 0 HD2 TYR A 14 -46.258 45.471 -39.048 1.00 20.33 H new ATOM 0 HE1 TYR A 14 -49.123 41.556 -39.866 1.00 21.22 H new ATOM 0 HE2 TYR A 14 -48.190 45.660 -40.551 1.00 71.00 H new ATOM 0 HH TYR A 14 -49.909 44.638 -41.490 1.00 21.44 H new ATOM 231 N GLY A 15 -45.831 40.822 -35.357 1.00 14.22 N ATOM 232 CA GLY A 15 -45.254 39.606 -34.815 1.00 12.32 C ATOM 233 C GLY A 15 -44.434 39.860 -33.565 1.00 42.44 C ATOM 234 O GLY A 15 -44.856 40.601 -32.677 1.00 65.14 O ATOM 0 H GLY A 15 -46.840 40.790 -35.501 1.00 14.22 H new ATOM 0 HA2 GLY A 15 -46.052 38.900 -34.585 1.00 12.32 H new ATOM 0 HA3 GLY A 15 -44.623 39.139 -35.571 1.00 12.32 H new ATOM 238 N ALA A 16 -43.259 39.242 -33.494 1.00 52.43 N ATOM 239 CA ALA A 16 -42.379 39.406 -32.343 1.00 45.33 C ATOM 240 C ALA A 16 -40.914 39.357 -32.762 1.00 62.11 C ATOM 241 O ALA A 16 -40.373 38.287 -33.034 1.00 61.42 O ATOM 242 CB ALA A 16 -42.668 38.336 -31.302 1.00 61.51 C ATOM 0 H ALA A 16 -42.895 38.624 -34.219 1.00 52.43 H new ATOM 0 HA ALA A 16 -42.572 40.385 -31.905 1.00 45.33 H new ATOM 0 HB1 ALA A 16 -42.004 38.470 -30.448 1.00 61.51 H new ATOM 0 HB2 ALA A 16 -43.704 38.419 -30.973 1.00 61.51 H new ATOM 0 HB3 ALA A 16 -42.504 37.351 -31.738 1.00 61.51 H new ATOM 248 N GLU A 17 -40.278 40.524 -32.812 1.00 62.14 N ATOM 249 CA GLU A 17 -38.876 40.612 -33.200 1.00 11.14 C ATOM 250 C GLU A 17 -38.020 41.109 -32.039 1.00 13.13 C ATOM 251 O GLU A 17 -36.893 40.656 -31.848 1.00 53.20 O ATOM 252 CB GLU A 17 -38.714 41.545 -34.403 1.00 24.31 C ATOM 253 CG GLU A 17 -39.048 42.995 -34.098 1.00 55.32 C ATOM 254 CD GLU A 17 -38.902 43.896 -35.310 1.00 32.44 C ATOM 255 OE1 GLU A 17 -39.460 43.552 -36.372 1.00 53.33 O ATOM 256 OE2 GLU A 17 -38.230 44.942 -35.195 1.00 33.25 O ATOM 0 H GLU A 17 -40.712 41.420 -32.589 1.00 62.14 H new ATOM 0 HA GLU A 17 -38.539 39.613 -33.476 1.00 11.14 H new ATOM 0 HB2 GLU A 17 -37.687 41.485 -34.762 1.00 24.31 H new ATOM 0 HB3 GLU A 17 -39.356 41.196 -35.212 1.00 24.31 H new ATOM 0 HG2 GLU A 17 -40.070 43.058 -33.725 1.00 55.32 H new ATOM 0 HG3 GLU A 17 -38.396 43.354 -33.302 1.00 55.32 H new ATOM 263 N GLU A 18 -38.567 42.043 -31.267 1.00 12.43 N ATOM 264 CA GLU A 18 -37.853 42.603 -30.125 1.00 12.12 C ATOM 265 C GLU A 18 -37.338 41.497 -29.210 1.00 5.12 C ATOM 266 O GLU A 18 -38.120 40.784 -28.579 1.00 2.21 O ATOM 267 CB GLU A 18 -38.764 43.547 -29.338 1.00 12.01 C ATOM 268 CG GLU A 18 -38.013 44.491 -28.415 1.00 13.04 C ATOM 269 CD GLU A 18 -38.889 45.049 -27.311 1.00 32.24 C ATOM 270 OE1 GLU A 18 -40.128 45.039 -27.473 1.00 3.52 O ATOM 271 OE2 GLU A 18 -38.337 45.494 -26.283 1.00 33.23 O ATOM 0 H GLU A 18 -39.501 42.427 -31.411 1.00 12.43 H new ATOM 0 HA GLU A 18 -36.999 43.165 -30.504 1.00 12.12 H new ATOM 0 HB2 GLU A 18 -39.357 44.134 -30.039 1.00 12.01 H new ATOM 0 HB3 GLU A 18 -39.463 42.955 -28.747 1.00 12.01 H new ATOM 0 HG2 GLU A 18 -37.168 43.964 -27.972 1.00 13.04 H new ATOM 0 HG3 GLU A 18 -37.603 45.315 -29.000 1.00 13.04 H new ATOM 278 N CYS A 19 -36.018 41.359 -29.143 1.00 4.01 N ATOM 279 CA CYS A 19 -35.397 40.339 -28.306 1.00 42.12 C ATOM 280 C CYS A 19 -34.008 40.777 -27.855 1.00 32.54 C ATOM 281 O CYS A 19 -33.061 40.781 -28.642 1.00 72.21 O ATOM 282 CB CYS A 19 -35.305 39.013 -29.066 1.00 73.42 C ATOM 283 SG CYS A 19 -36.532 37.786 -28.558 1.00 32.22 S ATOM 0 H CYS A 19 -35.358 41.941 -29.658 1.00 4.01 H new ATOM 0 HA CYS A 19 -36.019 40.201 -27.422 1.00 42.12 H new ATOM 0 HB2 CYS A 19 -35.422 39.208 -30.132 1.00 73.42 H new ATOM 0 HB3 CYS A 19 -34.308 38.594 -28.926 1.00 73.42 H new ATOM 0 HG CYS A 19 -36.376 36.701 -29.257 1.00 32.22 H new ATOM 289 N VAL A 20 -33.894 41.146 -26.583 1.00 62.34 N ATOM 290 CA VAL A 20 -32.621 41.587 -26.025 1.00 65.02 C ATOM 291 C VAL A 20 -31.784 42.313 -27.074 1.00 73.15 C ATOM 292 O VAL A 20 -30.556 42.237 -27.066 1.00 2.32 O ATOM 293 CB VAL A 20 -31.810 40.401 -25.471 1.00 21.12 C ATOM 294 CG1 VAL A 20 -32.662 39.565 -24.528 1.00 73.04 C ATOM 295 CG2 VAL A 20 -31.267 39.548 -26.608 1.00 63.44 C ATOM 0 H VAL A 20 -34.668 41.148 -25.919 1.00 62.34 H new ATOM 0 HA VAL A 20 -32.853 42.272 -25.210 1.00 65.02 H new ATOM 0 HB VAL A 20 -30.965 40.795 -24.907 1.00 21.12 H new ATOM 0 HG11 VAL A 20 -32.072 38.732 -24.147 1.00 73.04 H new ATOM 0 HG12 VAL A 20 -32.997 40.184 -23.695 1.00 73.04 H new ATOM 0 HG13 VAL A 20 -33.529 39.180 -25.065 1.00 73.04 H new ATOM 0 HG21 VAL A 20 -30.697 38.715 -26.197 1.00 63.44 H new ATOM 0 HG22 VAL A 20 -32.096 39.163 -27.202 1.00 63.44 H new ATOM 0 HG23 VAL A 20 -30.619 40.155 -27.240 1.00 63.44 H new ATOM 305 N LEU A 21 -32.459 43.019 -27.976 1.00 11.14 N ATOM 306 CA LEU A 21 -31.778 43.762 -29.031 1.00 73.52 C ATOM 307 C LEU A 21 -31.308 45.121 -28.524 1.00 33.54 C ATOM 308 O LEU A 21 -31.757 45.593 -27.479 1.00 3.41 O ATOM 309 CB LEU A 21 -32.709 43.947 -30.231 1.00 0.22 C ATOM 310 CG LEU A 21 -33.968 44.778 -29.984 1.00 74.01 C ATOM 311 CD1 LEU A 21 -33.639 46.263 -30.007 1.00 34.34 C ATOM 312 CD2 LEU A 21 -35.036 44.452 -31.017 1.00 25.22 C ATOM 0 H LEU A 21 -33.476 43.092 -27.998 1.00 11.14 H new ATOM 0 HA LEU A 21 -30.904 43.189 -29.340 1.00 73.52 H new ATOM 0 HB2 LEU A 21 -32.142 44.414 -31.036 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -33.012 42.962 -30.585 1.00 0.22 H new ATOM 0 HG LEU A 21 -34.357 44.526 -28.998 1.00 74.01 H new ATOM 0 HD11 LEU A 21 -34.547 46.840 -29.829 1.00 34.34 H new ATOM 0 HD12 LEU A 21 -32.909 46.486 -29.229 1.00 34.34 H new ATOM 0 HD13 LEU A 21 -33.225 46.529 -30.980 1.00 34.34 H new ATOM 0 HD21 LEU A 21 -35.924 45.054 -30.824 1.00 25.22 H new ATOM 0 HD22 LEU A 21 -34.657 44.674 -32.015 1.00 25.22 H new ATOM 0 HD23 LEU A 21 -35.293 43.395 -30.953 1.00 25.22 H new ATOM 324 N GLN A 22 -30.403 45.744 -29.270 1.00 3.21 N ATOM 325 CA GLN A 22 -29.873 47.050 -28.897 1.00 32.15 C ATOM 326 C GLN A 22 -30.871 48.156 -29.218 1.00 73.44 C ATOM 327 O GLN A 22 -31.231 48.364 -30.377 1.00 74.20 O ATOM 328 CB GLN A 22 -28.552 47.314 -29.621 1.00 11.13 C ATOM 329 CG GLN A 22 -28.690 47.381 -31.134 1.00 43.31 C ATOM 330 CD GLN A 22 -27.407 47.014 -31.855 1.00 75.42 C ATOM 331 OE1 GLN A 22 -27.355 46.026 -32.587 1.00 12.24 O ATOM 332 NE2 GLN A 22 -26.365 47.810 -31.650 1.00 12.53 N ATOM 0 H GLN A 22 -30.021 45.366 -30.137 1.00 3.21 H new ATOM 0 HA GLN A 22 -29.696 47.047 -27.821 1.00 32.15 H new ATOM 0 HB2 GLN A 22 -28.131 48.253 -29.261 1.00 11.13 H new ATOM 0 HB3 GLN A 22 -27.843 46.527 -29.364 1.00 11.13 H new ATOM 0 HG2 GLN A 22 -29.486 46.708 -31.452 1.00 43.31 H new ATOM 0 HG3 GLN A 22 -28.989 48.388 -31.423 1.00 43.31 H new ATOM 0 HE21 GLN A 22 -26.454 48.618 -31.035 1.00 12.53 H new ATOM 0 HE22 GLN A 22 -25.475 47.613 -32.108 1.00 12.53 H new ATOM 341 N MET A 23 -31.319 48.862 -28.183 1.00 4.01 N ATOM 342 CA MET A 23 -32.278 49.947 -28.357 1.00 12.11 C ATOM 343 C MET A 23 -31.563 51.261 -28.658 1.00 13.33 C ATOM 344 O MET A 23 -32.194 52.255 -29.011 1.00 40.30 O ATOM 345 CB MET A 23 -33.140 50.098 -27.103 1.00 41.44 C ATOM 346 CG MET A 23 -34.627 50.211 -27.398 1.00 50.51 C ATOM 347 SD MET A 23 -34.985 51.376 -28.728 1.00 13.43 S ATOM 348 CE MET A 23 -34.481 52.919 -27.969 1.00 14.55 C ATOM 0 H MET A 23 -31.033 48.702 -27.217 1.00 4.01 H new ATOM 0 HA MET A 23 -32.919 49.701 -29.203 1.00 12.11 H new ATOM 0 HB2 MET A 23 -32.971 49.241 -26.451 1.00 41.44 H new ATOM 0 HB3 MET A 23 -32.818 50.984 -26.555 1.00 41.44 H new ATOM 0 HG2 MET A 23 -35.016 49.229 -27.666 1.00 50.51 H new ATOM 0 HG3 MET A 23 -35.150 50.525 -26.495 1.00 50.51 H new ATOM 0 HE1 MET A 23 -35.351 53.563 -27.842 1.00 14.55 H new ATOM 0 HE2 MET A 23 -34.034 52.717 -26.996 1.00 14.55 H new ATOM 0 HE3 MET A 23 -33.751 53.417 -28.607 1.00 14.55 H new ATOM 358 N GLY A 24 -30.240 51.256 -28.516 1.00 14.15 N ATOM 359 CA GLY A 24 -29.461 52.453 -28.775 1.00 61.14 C ATOM 360 C GLY A 24 -30.040 53.286 -29.903 1.00 75.05 C ATOM 361 O GLY A 24 -30.383 52.760 -30.960 1.00 2.20 O ATOM 0 H GLY A 24 -29.695 50.444 -28.226 1.00 14.15 H new ATOM 0 HA2 GLY A 24 -29.414 53.056 -27.868 1.00 61.14 H new ATOM 0 HA3 GLY A 24 -28.438 52.171 -29.023 1.00 61.14 H new ATOM 365 N GLY A 25 -30.149 54.592 -29.675 1.00 44.23 N ATOM 366 CA GLY A 25 -30.691 55.478 -30.689 1.00 53.51 C ATOM 367 C GLY A 25 -32.117 55.899 -30.388 1.00 10.11 C ATOM 368 O GLY A 25 -33.046 55.516 -31.099 1.00 73.55 O ATOM 0 H GLY A 25 -29.872 55.051 -28.807 1.00 44.23 H new ATOM 0 HA2 GLY A 25 -30.062 56.365 -30.766 1.00 53.51 H new ATOM 0 HA3 GLY A 25 -30.659 54.979 -31.658 1.00 53.51 H new ATOM 372 N VAL A 26 -32.289 56.687 -29.332 1.00 13.43 N ATOM 373 CA VAL A 26 -33.611 57.160 -28.939 1.00 31.52 C ATOM 374 C VAL A 26 -33.628 58.676 -28.778 1.00 1.21 C ATOM 375 O VAL A 26 -32.619 59.284 -28.417 1.00 64.55 O ATOM 376 CB VAL A 26 -34.070 56.509 -27.621 1.00 14.43 C ATOM 377 CG1 VAL A 26 -33.280 57.069 -26.446 1.00 62.32 C ATOM 378 CG2 VAL A 26 -35.563 56.716 -27.417 1.00 75.52 C ATOM 0 H VAL A 26 -31.530 57.011 -28.733 1.00 13.43 H new ATOM 0 HA VAL A 26 -34.299 56.875 -29.735 1.00 31.52 H new ATOM 0 HB VAL A 26 -33.880 55.437 -27.679 1.00 14.43 H new ATOM 0 HG11 VAL A 26 -33.618 56.598 -25.523 1.00 62.32 H new ATOM 0 HG12 VAL A 26 -32.219 56.865 -26.591 1.00 62.32 H new ATOM 0 HG13 VAL A 26 -33.437 58.146 -26.382 1.00 62.32 H new ATOM 0 HG21 VAL A 26 -35.870 56.250 -26.481 1.00 75.52 H new ATOM 0 HG22 VAL A 26 -35.781 57.783 -27.379 1.00 75.52 H new ATOM 0 HG23 VAL A 26 -36.109 56.263 -28.244 1.00 75.52 H new ATOM 388 N LEU A 27 -34.779 59.281 -29.047 1.00 32.32 N ATOM 389 CA LEU A 27 -34.929 60.727 -28.933 1.00 0.15 C ATOM 390 C LEU A 27 -36.068 61.083 -27.983 1.00 40.24 C ATOM 391 O LEU A 27 -37.009 60.302 -27.852 1.00 73.12 O ATOM 392 CB LEU A 27 -35.184 61.344 -30.308 1.00 52.11 C ATOM 393 CG LEU A 27 -36.347 60.753 -31.105 1.00 23.41 C ATOM 394 CD1 LEU A 27 -37.632 61.513 -30.819 1.00 54.35 C ATOM 395 CD2 LEU A 27 -36.037 60.766 -32.594 1.00 41.41 C ATOM 0 H LEU A 27 -35.623 58.792 -29.346 1.00 32.32 H new ATOM 0 HA LEU A 27 -34.002 61.132 -28.527 1.00 0.15 H new ATOM 0 HB2 LEU A 27 -35.365 62.411 -30.177 1.00 52.11 H new ATOM 0 HB3 LEU A 27 -34.276 61.245 -30.902 1.00 52.11 H new ATOM 0 HG LEU A 27 -36.485 59.718 -30.793 1.00 23.41 H new ATOM 0 HD11 LEU A 27 -38.448 61.078 -31.395 1.00 54.35 H new ATOM 0 HD12 LEU A 27 -37.864 61.449 -29.756 1.00 54.35 H new ATOM 0 HD13 LEU A 27 -37.507 62.559 -31.100 1.00 54.35 H new ATOM 0 HD21 LEU A 27 -36.877 60.341 -33.144 1.00 41.41 H new ATOM 0 HD22 LEU A 27 -35.870 61.792 -32.922 1.00 41.41 H new ATOM 0 HD23 LEU A 27 -35.142 60.174 -32.784 1.00 41.41 H new ATOM 407 N CYS A 28 -35.962 62.242 -27.351 1.00 60.32 N ATOM 408 CA CYS A 28 -36.991 62.686 -26.424 1.00 30.33 C ATOM 409 C CYS A 28 -38.319 62.765 -27.181 1.00 3.05 C ATOM 410 O CYS A 28 -38.482 63.483 -28.167 1.00 4.32 O ATOM 411 CB CYS A 28 -36.625 64.020 -25.771 1.00 1.42 C ATOM 412 SG CYS A 28 -37.320 64.102 -24.080 1.00 51.25 S ATOM 0 H CYS A 28 -35.180 62.888 -27.462 1.00 60.32 H new ATOM 0 HA CYS A 28 -37.083 61.970 -25.607 1.00 30.33 H new ATOM 0 HB2 CYS A 28 -35.541 64.130 -25.733 1.00 1.42 H new ATOM 0 HB3 CYS A 28 -37.009 64.845 -26.371 1.00 1.42 H new ATOM 417 N PRO A 29 -39.297 61.993 -26.688 1.00 20.22 N ATOM 418 CA PRO A 29 -40.636 61.939 -27.282 1.00 52.12 C ATOM 419 C PRO A 29 -41.416 63.232 -27.070 1.00 62.45 C ATOM 420 O PRO A 29 -42.525 63.390 -27.581 1.00 34.21 O ATOM 421 CB PRO A 29 -41.309 60.781 -26.538 1.00 5.43 C ATOM 422 CG PRO A 29 -40.592 60.703 -25.234 1.00 52.42 C ATOM 423 CD PRO A 29 -39.172 61.112 -25.515 1.00 74.34 C ATOM 0 HA PRO A 29 -40.597 61.804 -28.363 1.00 52.12 H new ATOM 0 HB2 PRO A 29 -42.373 60.968 -26.394 1.00 5.43 H new ATOM 0 HB3 PRO A 29 -41.221 59.848 -27.095 1.00 5.43 H new ATOM 0 HG2 PRO A 29 -41.049 61.363 -24.497 1.00 52.42 H new ATOM 0 HG3 PRO A 29 -40.633 59.693 -24.826 1.00 52.42 H new ATOM 0 HD2 PRO A 29 -38.728 61.633 -24.667 1.00 74.34 H new ATOM 0 HD3 PRO A 29 -38.540 60.250 -25.726 1.00 74.34 H new ATOM 431 N ARG A 30 -40.830 64.154 -26.315 1.00 11.51 N ATOM 432 CA ARG A 30 -41.472 65.433 -26.035 1.00 2.51 C ATOM 433 C ARG A 30 -41.446 66.336 -27.266 1.00 24.31 C ATOM 434 O ARG A 30 -40.472 66.372 -28.020 1.00 33.30 O ATOM 435 CB ARG A 30 -40.776 66.132 -24.865 1.00 64.13 C ATOM 436 CG ARG A 30 -40.969 65.425 -23.533 1.00 0.55 C ATOM 437 CD ARG A 30 -42.411 65.510 -23.060 1.00 13.42 C ATOM 438 NE ARG A 30 -42.603 66.574 -22.079 1.00 53.11 N ATOM 439 CZ ARG A 30 -43.774 67.159 -21.850 1.00 34.52 C ATOM 440 NH1 ARG A 30 -44.851 66.785 -22.527 1.00 3.01 N ATOM 441 NH2 ARG A 30 -43.870 68.121 -20.941 1.00 35.22 N ATOM 0 H ARG A 30 -39.912 64.040 -25.886 1.00 11.51 H new ATOM 0 HA ARG A 30 -42.511 65.238 -25.769 1.00 2.51 H new ATOM 0 HB2 ARG A 30 -39.709 66.204 -25.078 1.00 64.13 H new ATOM 0 HB3 ARG A 30 -41.154 67.151 -24.784 1.00 64.13 H new ATOM 0 HG2 ARG A 30 -40.678 64.379 -23.630 1.00 0.55 H new ATOM 0 HG3 ARG A 30 -40.313 65.871 -22.785 1.00 0.55 H new ATOM 0 HD2 ARG A 30 -43.064 65.684 -23.916 1.00 13.42 H new ATOM 0 HD3 ARG A 30 -42.706 64.556 -22.623 1.00 13.42 H new ATOM 0 HE ARG A 30 -41.795 66.885 -21.540 1.00 53.11 H new ATOM 0 HH11 ARG A 30 -44.782 66.046 -23.226 1.00 3.01 H new ATOM 0 HH12 ARG A 30 -45.748 67.236 -22.348 1.00 3.01 H new ATOM 0 HH21 ARG A 30 -43.044 68.412 -20.417 1.00 35.22 H new ATOM 0 HH22 ARG A 30 -44.769 68.569 -20.766 1.00 35.22 H new ATOM 455 N PRO A 31 -42.541 67.080 -27.477 1.00 64.40 N ATOM 456 CA PRO A 31 -42.669 67.994 -28.615 1.00 53.23 C ATOM 457 C PRO A 31 -41.750 69.204 -28.492 1.00 53.53 C ATOM 458 O PRO A 31 -41.016 69.535 -29.422 1.00 23.20 O ATOM 459 CB PRO A 31 -44.136 68.428 -28.557 1.00 44.04 C ATOM 460 CG PRO A 31 -44.525 68.263 -27.130 1.00 41.10 C ATOM 461 CD PRO A 31 -43.739 67.086 -26.621 1.00 34.15 C ATOM 0 HA PRO A 31 -42.388 67.518 -29.554 1.00 53.23 H new ATOM 0 HB2 PRO A 31 -44.256 69.461 -28.883 1.00 44.04 H new ATOM 0 HB3 PRO A 31 -44.756 67.814 -29.210 1.00 44.04 H new ATOM 0 HG2 PRO A 31 -44.297 69.162 -26.557 1.00 41.10 H new ATOM 0 HG3 PRO A 31 -45.597 68.087 -27.035 1.00 41.10 H new ATOM 0 HD2 PRO A 31 -43.480 67.201 -25.568 1.00 34.15 H new ATOM 0 HD3 PRO A 31 -44.302 66.157 -26.712 1.00 34.15 H new ATOM 469 N GLY A 32 -41.798 69.863 -27.338 1.00 40.22 N ATOM 470 CA GLY A 32 -40.964 71.031 -27.115 1.00 63.44 C ATOM 471 C GLY A 32 -39.570 70.665 -26.646 1.00 34.12 C ATOM 472 O GLY A 32 -38.930 71.480 -25.981 1.00 50.21 O ATOM 0 H GLY A 32 -42.399 69.609 -26.554 1.00 40.22 H new ATOM 0 HA2 GLY A 32 -40.894 71.606 -28.038 1.00 63.44 H new ATOM 0 HA3 GLY A 32 -41.436 71.675 -26.373 1.00 63.44 H new ATOM 476 N CYS A 33 -39.128 69.465 -26.990 1.00 71.30 N ATOM 477 CA CYS A 33 -37.807 69.011 -26.590 1.00 21.42 C ATOM 478 C CYS A 33 -37.349 67.938 -27.580 1.00 21.25 C ATOM 479 O CYS A 33 -37.851 66.815 -27.603 1.00 3.45 O ATOM 480 CB CYS A 33 -37.796 68.500 -25.147 1.00 61.25 C ATOM 481 SG CYS A 33 -36.201 67.679 -24.787 1.00 33.24 S ATOM 0 H CYS A 33 -39.661 68.793 -27.541 1.00 71.30 H new ATOM 0 HA CYS A 33 -37.109 69.848 -26.614 1.00 21.42 H new ATOM 0 HB2 CYS A 33 -37.951 69.330 -24.457 1.00 61.25 H new ATOM 0 HB3 CYS A 33 -38.618 67.800 -24.994 1.00 61.25 H new ATOM 486 N GLY A 34 -36.375 68.312 -28.402 1.00 5.22 N ATOM 487 CA GLY A 34 -35.844 67.392 -29.392 1.00 61.44 C ATOM 488 C GLY A 34 -34.450 66.909 -29.046 1.00 2.15 C ATOM 489 O GLY A 34 -33.498 67.157 -29.786 1.00 74.03 O ATOM 0 H GLY A 34 -35.943 69.236 -28.401 1.00 5.22 H new ATOM 0 HA2 GLY A 34 -36.511 66.534 -29.481 1.00 61.44 H new ATOM 0 HA3 GLY A 34 -35.824 67.882 -30.365 1.00 61.44 H new ATOM 493 N ALA A 35 -34.327 66.217 -27.918 1.00 70.12 N ATOM 494 CA ALA A 35 -33.040 65.697 -27.476 1.00 0.44 C ATOM 495 C ALA A 35 -32.285 65.046 -28.630 1.00 50.33 C ATOM 496 O ALA A 35 -31.198 65.486 -29.000 1.00 43.21 O ATOM 497 CB ALA A 35 -33.233 64.703 -26.341 1.00 12.50 C ATOM 0 H ALA A 35 -35.105 66.004 -27.293 1.00 70.12 H new ATOM 0 HA ALA A 35 -32.444 66.534 -27.113 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -32.263 64.323 -26.021 1.00 12.50 H new ATOM 0 HB2 ALA A 35 -33.723 65.199 -25.503 1.00 12.50 H new ATOM 0 HB3 ALA A 35 -33.852 63.874 -26.685 1.00 12.50 H new ATOM 503 N GLY A 36 -32.871 63.993 -29.194 1.00 5.45 N ATOM 504 CA GLY A 36 -32.238 63.297 -30.299 1.00 70.24 C ATOM 505 C GLY A 36 -30.748 63.116 -30.094 1.00 1.22 C ATOM 506 O GLY A 36 -29.956 63.325 -31.015 1.00 74.31 O ATOM 0 H GLY A 36 -33.771 63.610 -28.905 1.00 5.45 H new ATOM 0 HA2 GLY A 36 -32.705 62.320 -30.424 1.00 70.24 H new ATOM 0 HA3 GLY A 36 -32.410 63.853 -31.221 1.00 70.24 H new ATOM 510 N LEU A 37 -30.361 62.727 -28.884 1.00 40.31 N ATOM 511 CA LEU A 37 -28.954 62.520 -28.559 1.00 23.34 C ATOM 512 C LEU A 37 -28.696 61.070 -28.161 1.00 44.41 C ATOM 513 O LEU A 37 -29.580 60.393 -27.636 1.00 70.45 O ATOM 514 CB LEU A 37 -28.528 63.455 -27.427 1.00 32.24 C ATOM 515 CG LEU A 37 -29.548 63.661 -26.307 1.00 53.03 C ATOM 516 CD1 LEU A 37 -29.576 62.454 -25.381 1.00 15.42 C ATOM 517 CD2 LEU A 37 -29.233 64.928 -25.524 1.00 61.13 C ATOM 0 H LEU A 37 -31.002 62.548 -28.111 1.00 40.31 H new ATOM 0 HA LEU A 37 -28.364 62.745 -29.448 1.00 23.34 H new ATOM 0 HB2 LEU A 37 -27.609 63.066 -26.988 1.00 32.24 H new ATOM 0 HB3 LEU A 37 -28.289 64.428 -27.857 1.00 32.24 H new ATOM 0 HG LEU A 37 -30.535 63.771 -26.757 1.00 53.03 H new ATOM 0 HD11 LEU A 37 -30.308 62.619 -24.590 1.00 15.42 H new ATOM 0 HD12 LEU A 37 -29.850 61.565 -25.950 1.00 15.42 H new ATOM 0 HD13 LEU A 37 -28.590 62.312 -24.939 1.00 15.42 H new ATOM 0 HD21 LEU A 37 -29.969 65.058 -24.731 1.00 61.13 H new ATOM 0 HD22 LEU A 37 -28.238 64.847 -25.086 1.00 61.13 H new ATOM 0 HD23 LEU A 37 -29.265 65.787 -26.194 1.00 61.13 H new ATOM 529 N LEU A 38 -27.479 60.601 -28.412 1.00 1.22 N ATOM 530 CA LEU A 38 -27.102 59.232 -28.078 1.00 71.55 C ATOM 531 C LEU A 38 -26.199 59.200 -26.849 1.00 42.41 C ATOM 532 O LEU A 38 -25.003 59.481 -26.920 1.00 63.41 O ATOM 533 CB LEU A 38 -26.395 58.572 -29.263 1.00 13.42 C ATOM 534 CG LEU A 38 -27.198 57.516 -30.022 1.00 64.15 C ATOM 535 CD1 LEU A 38 -27.544 56.351 -29.109 1.00 72.14 C ATOM 536 CD2 LEU A 38 -28.461 58.129 -30.611 1.00 25.00 C ATOM 0 H LEU A 38 -26.736 61.149 -28.846 1.00 1.22 H new ATOM 0 HA LEU A 38 -28.012 58.676 -27.852 1.00 71.55 H new ATOM 0 HB2 LEU A 38 -26.103 59.352 -29.966 1.00 13.42 H new ATOM 0 HB3 LEU A 38 -25.477 58.110 -28.901 1.00 13.42 H new ATOM 0 HG LEU A 38 -26.585 57.139 -30.841 1.00 64.15 H new ATOM 0 HD11 LEU A 38 -28.116 55.609 -29.667 1.00 72.14 H new ATOM 0 HD12 LEU A 38 -26.626 55.896 -28.736 1.00 72.14 H new ATOM 0 HD13 LEU A 38 -28.138 56.711 -28.269 1.00 72.14 H new ATOM 0 HD21 LEU A 38 -29.021 57.363 -31.148 1.00 25.00 H new ATOM 0 HD22 LEU A 38 -29.078 58.533 -29.808 1.00 25.00 H new ATOM 0 HD23 LEU A 38 -28.190 58.930 -31.299 1.00 25.00 H new ATOM 548 N PRO A 39 -26.783 58.848 -25.694 1.00 3.42 N ATOM 549 CA PRO A 39 -26.049 58.768 -24.428 1.00 43.30 C ATOM 550 C PRO A 39 -25.066 57.602 -24.401 1.00 32.24 C ATOM 551 O PRO A 39 -24.744 57.026 -25.439 1.00 64.40 O ATOM 552 CB PRO A 39 -27.154 58.560 -23.390 1.00 12.14 C ATOM 553 CG PRO A 39 -28.270 57.928 -24.145 1.00 64.32 C ATOM 554 CD PRO A 39 -28.205 58.499 -25.535 1.00 62.02 C ATOM 0 HA PRO A 39 -25.442 59.656 -24.252 1.00 43.30 H new ATOM 0 HB2 PRO A 39 -26.816 57.920 -22.575 1.00 12.14 H new ATOM 0 HB3 PRO A 39 -27.463 59.506 -22.946 1.00 12.14 H new ATOM 0 HG2 PRO A 39 -28.164 56.843 -24.163 1.00 64.32 H new ATOM 0 HG3 PRO A 39 -29.230 58.146 -23.678 1.00 64.32 H new ATOM 0 HD2 PRO A 39 -28.527 57.774 -26.283 1.00 62.02 H new ATOM 0 HD3 PRO A 39 -28.848 59.373 -25.641 1.00 62.02 H new ATOM 562 N GLU A 40 -24.592 57.260 -23.205 1.00 45.41 N ATOM 563 CA GLU A 40 -23.646 56.164 -23.045 1.00 65.54 C ATOM 564 C GLU A 40 -24.279 54.834 -23.449 1.00 4.34 C ATOM 565 O GLU A 40 -25.497 54.663 -23.413 1.00 25.34 O ATOM 566 CB GLU A 40 -23.158 56.088 -21.598 1.00 55.51 C ATOM 567 CG GLU A 40 -24.135 55.400 -20.660 1.00 41.15 C ATOM 568 CD GLU A 40 -24.181 56.044 -19.288 1.00 23.11 C ATOM 569 OE1 GLU A 40 -24.331 57.282 -19.220 1.00 75.52 O ATOM 570 OE2 GLU A 40 -24.067 55.310 -18.283 1.00 40.41 O ATOM 0 H GLU A 40 -24.849 57.727 -22.335 1.00 45.41 H new ATOM 0 HA GLU A 40 -22.795 56.356 -23.699 1.00 65.54 H new ATOM 0 HB2 GLU A 40 -22.207 55.556 -21.572 1.00 55.51 H new ATOM 0 HB3 GLU A 40 -22.968 57.098 -21.234 1.00 55.51 H new ATOM 0 HG2 GLU A 40 -25.132 55.422 -21.101 1.00 41.15 H new ATOM 0 HG3 GLU A 40 -23.855 54.352 -20.556 1.00 41.15 H new ATOM 577 N PRO A 41 -23.432 53.872 -23.843 1.00 54.12 N ATOM 578 CA PRO A 41 -23.885 52.542 -24.262 1.00 53.21 C ATOM 579 C PRO A 41 -24.430 51.722 -23.097 1.00 12.43 C ATOM 580 O PRO A 41 -24.587 50.505 -23.201 1.00 45.34 O ATOM 581 CB PRO A 41 -22.616 51.896 -24.824 1.00 42.21 C ATOM 582 CG PRO A 41 -21.497 52.598 -24.136 1.00 20.43 C ATOM 583 CD PRO A 41 -21.968 54.008 -23.911 1.00 31.45 C ATOM 0 HA PRO A 41 -24.705 52.597 -24.978 1.00 53.21 H new ATOM 0 HB2 PRO A 41 -22.595 50.825 -24.623 1.00 42.21 H new ATOM 0 HB3 PRO A 41 -22.555 52.019 -25.905 1.00 42.21 H new ATOM 0 HG2 PRO A 41 -21.254 52.112 -23.191 1.00 20.43 H new ATOM 0 HG3 PRO A 41 -20.593 52.581 -24.745 1.00 20.43 H new ATOM 0 HD2 PRO A 41 -21.560 54.426 -22.991 1.00 31.45 H new ATOM 0 HD3 PRO A 41 -21.663 54.668 -24.723 1.00 31.45 H new ATOM 591 N ASP A 42 -24.715 52.396 -21.988 1.00 45.30 N ATOM 592 CA ASP A 42 -25.244 51.728 -20.803 1.00 14.40 C ATOM 593 C ASP A 42 -26.431 52.497 -20.232 1.00 4.20 C ATOM 594 O ASP A 42 -26.267 53.564 -19.641 1.00 4.44 O ATOM 595 CB ASP A 42 -24.152 51.589 -19.741 1.00 14.21 C ATOM 596 CG ASP A 42 -24.207 50.255 -19.026 1.00 51.05 C ATOM 597 OD1 ASP A 42 -25.314 49.689 -18.910 1.00 72.15 O ATOM 598 OD2 ASP A 42 -23.144 49.775 -18.581 1.00 23.15 O ATOM 0 H ASP A 42 -24.589 53.403 -21.884 1.00 45.30 H new ATOM 0 HA ASP A 42 -25.584 50.735 -21.096 1.00 14.40 H new ATOM 0 HB2 ASP A 42 -23.175 51.706 -20.211 1.00 14.21 H new ATOM 0 HB3 ASP A 42 -24.254 52.393 -19.012 1.00 14.21 H new ATOM 603 N GLN A 43 -27.628 51.947 -20.415 1.00 73.12 N ATOM 604 CA GLN A 43 -28.843 52.582 -19.919 1.00 12.50 C ATOM 605 C GLN A 43 -28.702 52.952 -18.446 1.00 22.30 C ATOM 606 O GLN A 43 -29.466 53.763 -17.924 1.00 70.44 O ATOM 607 CB GLN A 43 -30.043 51.654 -20.112 1.00 62.31 C ATOM 608 CG GLN A 43 -30.114 50.531 -19.090 1.00 62.40 C ATOM 609 CD GLN A 43 -31.006 50.868 -17.912 1.00 52.41 C ATOM 610 OE1 GLN A 43 -31.003 51.998 -17.419 1.00 44.02 O ATOM 611 NE2 GLN A 43 -31.776 49.889 -17.451 1.00 53.45 N ATOM 0 H GLN A 43 -27.782 51.064 -20.902 1.00 73.12 H new ATOM 0 HA GLN A 43 -29.004 53.496 -20.490 1.00 12.50 H new ATOM 0 HB2 GLN A 43 -30.959 52.242 -20.057 1.00 62.31 H new ATOM 0 HB3 GLN A 43 -30.001 51.222 -21.112 1.00 62.31 H new ATOM 0 HG2 GLN A 43 -30.484 49.627 -19.574 1.00 62.40 H new ATOM 0 HG3 GLN A 43 -29.110 50.310 -18.729 1.00 62.40 H new ATOM 0 HE21 GLN A 43 -31.747 48.968 -17.889 1.00 53.45 H new ATOM 0 HE22 GLN A 43 -32.396 50.058 -16.659 1.00 53.45 H new ATOM 620 N ARG A 44 -27.720 52.350 -17.782 1.00 73.05 N ATOM 621 CA ARG A 44 -27.481 52.615 -16.368 1.00 74.10 C ATOM 622 C ARG A 44 -27.831 54.059 -16.019 1.00 21.14 C ATOM 623 O ARG A 44 -28.504 54.322 -15.022 1.00 53.13 O ATOM 624 CB ARG A 44 -26.020 52.334 -16.016 1.00 4.34 C ATOM 625 CG ARG A 44 -25.846 51.494 -14.761 1.00 34.25 C ATOM 626 CD ARG A 44 -26.153 50.028 -15.027 1.00 53.21 C ATOM 627 NE ARG A 44 -25.020 49.334 -15.633 1.00 21.52 N ATOM 628 CZ ARG A 44 -24.889 48.012 -15.644 1.00 30.44 C ATOM 629 NH1 ARG A 44 -25.815 47.245 -15.083 1.00 13.31 N ATOM 630 NH2 ARG A 44 -23.830 47.453 -16.216 1.00 2.12 N ATOM 0 H ARG A 44 -27.078 51.676 -18.200 1.00 73.05 H new ATOM 0 HA ARG A 44 -28.122 51.953 -15.786 1.00 74.10 H new ATOM 0 HB2 ARG A 44 -25.545 51.823 -16.854 1.00 4.34 H new ATOM 0 HB3 ARG A 44 -25.498 53.282 -15.884 1.00 4.34 H new ATOM 0 HG2 ARG A 44 -24.824 51.593 -14.394 1.00 34.25 H new ATOM 0 HG3 ARG A 44 -26.504 51.869 -13.977 1.00 34.25 H new ATOM 0 HD2 ARG A 44 -26.420 49.538 -14.091 1.00 53.21 H new ATOM 0 HD3 ARG A 44 -27.019 49.952 -15.685 1.00 53.21 H new ATOM 0 HE ARG A 44 -24.290 49.895 -16.072 1.00 21.52 H new ATOM 0 HH11 ARG A 44 -26.630 47.670 -14.642 1.00 13.31 H new ATOM 0 HH12 ARG A 44 -25.711 46.230 -15.093 1.00 13.31 H new ATOM 0 HH21 ARG A 44 -23.115 48.039 -16.648 1.00 2.12 H new ATOM 0 HH22 ARG A 44 -23.731 46.438 -16.224 1.00 2.12 H new ATOM 644 N LYS A 45 -27.370 54.990 -16.844 1.00 2.42 N ATOM 645 CA LYS A 45 -27.634 56.408 -16.625 1.00 73.01 C ATOM 646 C LYS A 45 -27.744 57.153 -17.952 1.00 2.25 C ATOM 647 O LYS A 45 -26.735 57.459 -18.588 1.00 40.24 O ATOM 648 CB LYS A 45 -26.527 57.027 -15.770 1.00 13.21 C ATOM 649 CG LYS A 45 -26.776 58.483 -15.413 1.00 32.50 C ATOM 650 CD LYS A 45 -27.214 58.634 -13.965 1.00 51.23 C ATOM 651 CE LYS A 45 -27.554 60.079 -13.634 1.00 31.12 C ATOM 652 NZ LYS A 45 -28.813 60.186 -12.843 1.00 44.30 N ATOM 0 H LYS A 45 -26.810 54.789 -17.673 1.00 2.42 H new ATOM 0 HA LYS A 45 -28.584 56.498 -16.099 1.00 73.01 H new ATOM 0 HB2 LYS A 45 -26.423 56.449 -14.852 1.00 13.21 H new ATOM 0 HB3 LYS A 45 -25.580 56.949 -16.305 1.00 13.21 H new ATOM 0 HG2 LYS A 45 -25.867 59.061 -15.582 1.00 32.50 H new ATOM 0 HG3 LYS A 45 -27.542 58.894 -16.071 1.00 32.50 H new ATOM 0 HD2 LYS A 45 -28.083 58.003 -13.779 1.00 51.23 H new ATOM 0 HD3 LYS A 45 -26.420 58.286 -13.305 1.00 51.23 H new ATOM 0 HE2 LYS A 45 -26.733 60.526 -13.073 1.00 31.12 H new ATOM 0 HE3 LYS A 45 -27.656 60.649 -14.558 1.00 31.12 H new ATOM 0 HZ1 LYS A 45 -29.010 61.186 -12.638 1.00 44.30 H new ATOM 0 HZ2 LYS A 45 -29.601 59.783 -13.389 1.00 44.30 H new ATOM 0 HZ3 LYS A 45 -28.707 59.664 -11.950 1.00 44.30 H new ATOM 666 N VAL A 46 -28.973 57.445 -18.362 1.00 34.41 N ATOM 667 CA VAL A 46 -29.215 58.157 -19.611 1.00 3.11 C ATOM 668 C VAL A 46 -29.981 59.451 -19.367 1.00 15.31 C ATOM 669 O VAL A 46 -31.160 59.431 -19.014 1.00 72.11 O ATOM 670 CB VAL A 46 -30.001 57.287 -20.610 1.00 74.44 C ATOM 671 CG1 VAL A 46 -30.779 58.162 -21.581 1.00 45.53 C ATOM 672 CG2 VAL A 46 -29.063 56.351 -21.356 1.00 50.13 C ATOM 0 H VAL A 46 -29.818 57.199 -17.847 1.00 34.41 H new ATOM 0 HA VAL A 46 -28.239 58.392 -20.035 1.00 3.11 H new ATOM 0 HB VAL A 46 -30.714 56.679 -20.053 1.00 74.44 H new ATOM 0 HG11 VAL A 46 -31.328 57.531 -22.280 1.00 45.53 H new ATOM 0 HG12 VAL A 46 -31.480 58.786 -21.027 1.00 45.53 H new ATOM 0 HG13 VAL A 46 -30.087 58.797 -22.133 1.00 45.53 H new ATOM 0 HG21 VAL A 46 -29.636 55.744 -22.057 1.00 50.13 H new ATOM 0 HG22 VAL A 46 -28.324 56.936 -21.903 1.00 50.13 H new ATOM 0 HG23 VAL A 46 -28.556 55.700 -20.644 1.00 50.13 H new ATOM 682 N THR A 47 -29.303 60.580 -19.559 1.00 62.40 N ATOM 683 CA THR A 47 -29.920 61.884 -19.358 1.00 51.42 C ATOM 684 C THR A 47 -30.233 62.554 -20.692 1.00 72.24 C ATOM 685 O THR A 47 -29.325 62.749 -21.496 1.00 3.30 O ATOM 686 CB THR A 47 -29.012 62.814 -18.531 1.00 41.23 C ATOM 687 OG1 THR A 47 -28.795 62.256 -17.230 1.00 43.11 O ATOM 688 CG2 THR A 47 -29.630 64.198 -18.399 1.00 61.54 C ATOM 0 H THR A 47 -28.327 60.616 -19.853 1.00 62.40 H new ATOM 0 HA THR A 47 -30.848 61.714 -18.812 1.00 51.42 H new ATOM 0 HB THR A 47 -28.058 62.909 -19.049 1.00 41.23 H new ATOM 0 HG1 THR A 47 -28.216 62.852 -16.711 1.00 43.11 H new ATOM 0 HG21 THR A 47 -28.971 64.836 -17.811 1.00 61.54 H new ATOM 0 HG22 THR A 47 -29.766 64.632 -19.390 1.00 61.54 H new ATOM 0 HG23 THR A 47 -30.597 64.119 -17.901 1.00 61.54 H new ATOM 696 N CYS A 48 -31.500 62.889 -20.894 1.00 41.53 N ATOM 697 CA CYS A 48 -31.915 63.533 -22.129 1.00 32.25 C ATOM 698 C CYS A 48 -31.210 64.888 -22.223 1.00 20.40 C ATOM 699 O CYS A 48 -31.127 65.506 -23.284 1.00 72.25 O ATOM 700 CB CYS A 48 -33.436 63.674 -22.209 1.00 3.31 C ATOM 701 SG CYS A 48 -33.877 65.289 -22.949 1.00 44.13 S ATOM 0 H CYS A 48 -32.252 62.727 -20.224 1.00 41.53 H new ATOM 0 HA CYS A 48 -31.628 62.915 -22.980 1.00 32.25 H new ATOM 0 HB2 CYS A 48 -33.854 62.864 -22.807 1.00 3.31 H new ATOM 0 HB3 CYS A 48 -33.870 63.591 -21.213 1.00 3.31 H new ATOM 706 N GLU A 49 -30.702 65.338 -21.080 1.00 0.12 N ATOM 707 CA GLU A 49 -30.001 66.614 -21.007 1.00 70.24 C ATOM 708 C GLU A 49 -28.510 66.433 -21.274 1.00 42.03 C ATOM 709 O GLU A 49 -27.837 65.654 -20.600 1.00 51.11 O ATOM 710 CB GLU A 49 -30.209 67.258 -19.634 1.00 64.21 C ATOM 711 CG GLU A 49 -29.108 68.230 -19.245 1.00 70.23 C ATOM 712 CD GLU A 49 -29.646 69.592 -18.849 1.00 21.22 C ATOM 713 OE1 GLU A 49 -30.836 69.675 -18.483 1.00 52.12 O ATOM 714 OE2 GLU A 49 -28.876 70.573 -18.906 1.00 31.30 O ATOM 0 H GLU A 49 -30.763 64.838 -20.193 1.00 0.12 H new ATOM 0 HA GLU A 49 -30.413 67.269 -21.775 1.00 70.24 H new ATOM 0 HB2 GLU A 49 -31.164 67.783 -19.629 1.00 64.21 H new ATOM 0 HB3 GLU A 49 -30.273 66.474 -18.880 1.00 64.21 H new ATOM 0 HG2 GLU A 49 -28.537 67.814 -18.415 1.00 70.23 H new ATOM 0 HG3 GLU A 49 -28.418 68.345 -20.081 1.00 70.23 H new ATOM 721 N GLY A 50 -28.000 67.158 -22.267 1.00 33.12 N ATOM 722 CA GLY A 50 -26.593 67.063 -22.607 1.00 64.24 C ATOM 723 C GLY A 50 -26.325 67.393 -24.063 1.00 15.01 C ATOM 724 O GLY A 50 -26.260 66.501 -24.906 1.00 2.31 O ATOM 0 H GLY A 50 -28.537 67.808 -22.841 1.00 33.12 H new ATOM 0 HA2 GLY A 50 -26.022 67.741 -21.973 1.00 64.24 H new ATOM 0 HA3 GLY A 50 -26.238 66.054 -22.395 1.00 64.24 H new ATOM 728 N GLY A 51 -26.171 68.680 -24.357 1.00 20.53 N ATOM 729 CA GLY A 51 -25.911 69.103 -25.720 1.00 51.34 C ATOM 730 C GLY A 51 -25.813 70.610 -25.851 1.00 41.25 C ATOM 731 O GLY A 51 -25.086 71.258 -25.099 1.00 50.22 O ATOM 0 H GLY A 51 -26.222 69.437 -23.675 1.00 20.53 H new ATOM 0 HA2 GLY A 51 -24.982 68.650 -26.067 1.00 51.34 H new ATOM 0 HA3 GLY A 51 -26.706 68.736 -26.369 1.00 51.34 H new ATOM 735 N ASN A 52 -26.543 71.168 -26.811 1.00 34.12 N ATOM 736 CA ASN A 52 -26.532 72.609 -27.039 1.00 32.45 C ATOM 737 C ASN A 52 -27.370 73.333 -25.989 1.00 45.21 C ATOM 738 O ASN A 52 -26.972 74.376 -25.475 1.00 55.23 O ATOM 739 CB ASN A 52 -27.061 72.928 -28.438 1.00 72.11 C ATOM 740 CG ASN A 52 -27.345 74.408 -28.626 1.00 25.23 C ATOM 741 OD1 ASN A 52 -26.868 75.244 -27.860 1.00 22.55 O ATOM 742 ND2 ASN A 52 -28.126 74.733 -29.650 1.00 15.43 N ATOM 0 H ASN A 52 -27.149 70.645 -27.443 1.00 34.12 H new ATOM 0 HA ASN A 52 -25.502 72.957 -26.959 1.00 32.45 H new ATOM 0 HB2 ASN A 52 -26.333 72.603 -29.181 1.00 72.11 H new ATOM 0 HB3 ASN A 52 -27.974 72.360 -28.616 1.00 72.11 H new ATOM 0 HD21 ASN A 52 -28.353 75.711 -29.828 1.00 15.43 H new ATOM 0 HD22 ASN A 52 -28.499 74.004 -30.259 1.00 15.43 H new ATOM 749 N GLY A 53 -28.534 72.770 -25.677 1.00 24.24 N ATOM 750 CA GLY A 53 -29.409 73.373 -24.690 1.00 51.43 C ATOM 751 C GLY A 53 -30.506 72.432 -24.234 1.00 2.12 C ATOM 752 O GLY A 53 -30.970 72.512 -23.096 1.00 23.31 O ATOM 0 H GLY A 53 -28.886 71.907 -26.091 1.00 24.24 H new ATOM 0 HA2 GLY A 53 -28.819 73.683 -23.827 1.00 51.43 H new ATOM 0 HA3 GLY A 53 -29.858 74.273 -25.109 1.00 51.43 H new ATOM 756 N LEU A 54 -30.923 71.537 -25.124 1.00 13.20 N ATOM 757 CA LEU A 54 -31.974 70.577 -24.808 1.00 32.14 C ATOM 758 C LEU A 54 -31.658 69.829 -23.516 1.00 22.14 C ATOM 759 O LEU A 54 -30.494 69.663 -23.152 1.00 10.32 O ATOM 760 CB LEU A 54 -32.146 69.582 -25.957 1.00 72.04 C ATOM 761 CG LEU A 54 -32.452 70.188 -27.328 1.00 61.04 C ATOM 762 CD1 LEU A 54 -31.964 69.270 -28.437 1.00 42.35 C ATOM 763 CD2 LEU A 54 -33.943 70.457 -27.471 1.00 65.11 C ATOM 0 H LEU A 54 -30.549 71.457 -26.070 1.00 13.20 H new ATOM 0 HA LEU A 54 -32.905 71.127 -24.670 1.00 32.14 H new ATOM 0 HB2 LEU A 54 -31.234 68.990 -26.039 1.00 72.04 H new ATOM 0 HB3 LEU A 54 -32.951 68.894 -25.698 1.00 72.04 H new ATOM 0 HG LEU A 54 -31.923 71.137 -27.412 1.00 61.04 H new ATOM 0 HD11 LEU A 54 -32.190 69.717 -29.405 1.00 42.35 H new ATOM 0 HD12 LEU A 54 -30.887 69.129 -28.345 1.00 42.35 H new ATOM 0 HD13 LEU A 54 -32.464 68.305 -28.357 1.00 42.35 H new ATOM 0 HD21 LEU A 54 -34.143 70.888 -28.452 1.00 65.11 H new ATOM 0 HD22 LEU A 54 -34.493 69.522 -27.367 1.00 65.11 H new ATOM 0 HD23 LEU A 54 -34.263 71.154 -26.697 1.00 65.11 H new ATOM 775 N GLY A 55 -32.703 69.377 -22.829 1.00 2.45 N ATOM 776 CA GLY A 55 -32.515 68.649 -21.587 1.00 41.24 C ATOM 777 C GLY A 55 -33.706 68.773 -20.657 1.00 4.22 C ATOM 778 O GLY A 55 -34.002 69.879 -20.209 1.00 20.20 O ATOM 0 H GLY A 55 -33.676 69.502 -23.110 1.00 2.45 H new ATOM 0 HA2 GLY A 55 -32.339 67.596 -21.809 1.00 41.24 H new ATOM 0 HA3 GLY A 55 -31.623 69.021 -21.082 1.00 41.24 H new ATOM 782 N CYS A 56 -34.360 67.653 -20.388 1.00 55.41 N ATOM 783 CA CYS A 56 -35.518 67.656 -19.510 1.00 12.33 C ATOM 784 C CYS A 56 -35.023 67.666 -18.062 1.00 31.53 C ATOM 785 O CYS A 56 -35.336 68.554 -17.270 1.00 4.34 O ATOM 786 CB CYS A 56 -36.444 66.471 -19.790 1.00 33.14 C ATOM 787 SG CYS A 56 -37.131 66.599 -21.479 1.00 4.30 S ATOM 0 H CYS A 56 -34.110 66.738 -20.762 1.00 55.41 H new ATOM 0 HA CYS A 56 -36.115 68.549 -19.694 1.00 12.33 H new ATOM 0 HB2 CYS A 56 -35.894 65.536 -19.682 1.00 33.14 H new ATOM 0 HB3 CYS A 56 -37.253 66.451 -19.060 1.00 33.14 H new ATOM 792 N GLY A 57 -34.235 66.647 -17.731 1.00 72.34 N ATOM 793 CA GLY A 57 -33.696 66.531 -16.389 1.00 44.10 C ATOM 794 C GLY A 57 -33.967 65.175 -15.769 1.00 22.11 C ATOM 795 O GLY A 57 -33.385 64.826 -14.742 1.00 72.12 O ATOM 0 H GLY A 57 -33.961 65.900 -18.369 1.00 72.34 H new ATOM 0 HA2 GLY A 57 -32.620 66.706 -16.417 1.00 44.10 H new ATOM 0 HA3 GLY A 57 -34.129 67.308 -15.759 1.00 44.10 H new ATOM 799 N PHE A 58 -34.855 64.408 -16.393 1.00 11.01 N ATOM 800 CA PHE A 58 -35.205 63.082 -15.895 1.00 53.53 C ATOM 801 C PHE A 58 -34.585 61.994 -16.765 1.00 34.45 C ATOM 802 O PHE A 58 -34.989 61.792 -17.909 1.00 75.41 O ATOM 803 CB PHE A 58 -36.725 62.914 -15.854 1.00 54.53 C ATOM 804 CG PHE A 58 -37.168 61.597 -15.288 1.00 73.21 C ATOM 805 CD1 PHE A 58 -37.137 60.449 -16.064 1.00 74.31 C ATOM 806 CD2 PHE A 58 -37.616 61.505 -13.980 1.00 13.44 C ATOM 807 CE1 PHE A 58 -37.543 59.234 -15.545 1.00 72.35 C ATOM 808 CE2 PHE A 58 -38.022 60.293 -13.456 1.00 72.45 C ATOM 809 CZ PHE A 58 -37.989 59.156 -14.239 1.00 4.33 C ATOM 0 H PHE A 58 -35.346 64.682 -17.244 1.00 11.01 H new ATOM 0 HA PHE A 58 -34.809 62.984 -14.884 1.00 53.53 H new ATOM 0 HB2 PHE A 58 -37.155 63.719 -15.259 1.00 54.53 H new ATOM 0 HB3 PHE A 58 -37.121 63.018 -16.864 1.00 54.53 H new ATOM 0 HD1 PHE A 58 -36.792 60.504 -17.086 1.00 74.31 H new ATOM 0 HD2 PHE A 58 -37.648 62.391 -13.363 1.00 13.44 H new ATOM 0 HE1 PHE A 58 -37.512 58.346 -16.159 1.00 72.35 H new ATOM 0 HE2 PHE A 58 -38.365 60.235 -12.434 1.00 72.45 H new ATOM 0 HZ PHE A 58 -38.311 58.209 -13.832 1.00 4.33 H new ATOM 819 N ALA A 59 -33.600 61.294 -16.212 1.00 1.14 N ATOM 820 CA ALA A 59 -32.923 60.224 -16.935 1.00 43.12 C ATOM 821 C ALA A 59 -33.844 59.023 -17.126 1.00 21.25 C ATOM 822 O ALA A 59 -34.621 58.677 -16.236 1.00 72.44 O ATOM 823 CB ALA A 59 -31.655 59.809 -16.202 1.00 41.33 C ATOM 0 H ALA A 59 -33.253 61.449 -15.265 1.00 1.14 H new ATOM 0 HA ALA A 59 -32.651 60.601 -17.921 1.00 43.12 H new ATOM 0 HB1 ALA A 59 -31.161 59.009 -16.754 1.00 41.33 H new ATOM 0 HB2 ALA A 59 -30.984 60.664 -16.123 1.00 41.33 H new ATOM 0 HB3 ALA A 59 -31.911 59.456 -15.203 1.00 41.33 H new ATOM 829 N PHE A 60 -33.750 58.390 -18.290 1.00 41.20 N ATOM 830 CA PHE A 60 -34.575 57.228 -18.598 1.00 52.21 C ATOM 831 C PHE A 60 -33.707 56.018 -18.930 1.00 73.44 C ATOM 832 O PHE A 60 -32.483 56.127 -18.902 1.00 53.04 O ATOM 833 CB PHE A 60 -35.510 57.537 -19.770 1.00 63.23 C ATOM 834 CG PHE A 60 -34.787 57.822 -21.055 1.00 31.23 C ATOM 835 CD1 PHE A 60 -34.036 58.976 -21.202 1.00 14.24 C ATOM 836 CD2 PHE A 60 -34.859 56.934 -22.117 1.00 1.25 C ATOM 837 CE1 PHE A 60 -33.368 59.241 -22.383 1.00 71.41 C ATOM 838 CE2 PHE A 60 -34.193 57.193 -23.300 1.00 61.35 C ATOM 839 CZ PHE A 60 -33.448 58.348 -23.434 1.00 60.31 C ATOM 0 H PHE A 60 -33.110 58.662 -19.036 1.00 41.20 H new ATOM 0 HA PHE A 60 -35.173 56.993 -17.717 1.00 52.21 H new ATOM 0 HB2 PHE A 60 -36.182 56.692 -19.920 1.00 63.23 H new ATOM 0 HB3 PHE A 60 -36.130 58.396 -19.513 1.00 63.23 H new ATOM 0 HD1 PHE A 60 -33.971 59.678 -20.384 1.00 14.24 H new ATOM 0 HD2 PHE A 60 -35.442 56.030 -22.019 1.00 1.25 H new ATOM 0 HE1 PHE A 60 -32.785 60.144 -22.484 1.00 71.41 H new ATOM 0 HE2 PHE A 60 -34.255 56.492 -24.119 1.00 61.35 H new ATOM 0 HZ PHE A 60 -32.929 58.553 -24.359 1.00 60.31 H new ATOM 849 N CYS A 61 -34.355 54.902 -19.231 1.00 61.51 N ATOM 850 CA CYS A 61 -33.634 53.684 -19.563 1.00 15.20 C ATOM 851 C CYS A 61 -33.737 53.463 -21.073 1.00 30.24 C ATOM 852 O CYS A 61 -34.780 53.093 -21.609 1.00 71.02 O ATOM 853 CB CYS A 61 -34.157 52.483 -18.771 1.00 45.55 C ATOM 854 SG CYS A 61 -33.494 50.931 -19.480 1.00 14.33 S ATOM 0 H CYS A 61 -35.371 54.815 -19.252 1.00 61.51 H new ATOM 0 HA CYS A 61 -32.586 53.790 -19.283 1.00 15.20 H new ATOM 0 HB2 CYS A 61 -33.862 52.570 -17.725 1.00 45.55 H new ATOM 0 HB3 CYS A 61 -35.247 52.467 -18.795 1.00 45.55 H new ATOM 859 N ARG A 62 -32.618 53.697 -21.752 1.00 31.01 N ATOM 860 CA ARG A 62 -32.555 53.532 -23.200 1.00 30.24 C ATOM 861 C ARG A 62 -32.981 52.124 -23.605 1.00 63.12 C ATOM 862 O ARG A 62 -33.505 51.915 -24.698 1.00 22.13 O ATOM 863 CB ARG A 62 -31.137 53.812 -23.705 1.00 54.42 C ATOM 864 CG ARG A 62 -30.125 52.757 -23.293 1.00 23.11 C ATOM 865 CD ARG A 62 -28.813 52.920 -24.045 1.00 34.21 C ATOM 866 NE ARG A 62 -28.559 51.808 -24.955 1.00 64.54 N ATOM 867 CZ ARG A 62 -28.302 50.569 -24.548 1.00 1.21 C ATOM 868 NH1 ARG A 62 -28.263 50.288 -23.252 1.00 0.00 N ATOM 869 NH2 ARG A 62 -28.082 49.609 -25.437 1.00 45.02 N ATOM 0 H ARG A 62 -31.744 54.001 -21.323 1.00 31.01 H new ATOM 0 HA ARG A 62 -33.243 54.246 -23.653 1.00 30.24 H new ATOM 0 HB2 ARG A 62 -31.155 53.881 -24.793 1.00 54.42 H new ATOM 0 HB3 ARG A 62 -30.811 54.782 -23.329 1.00 54.42 H new ATOM 0 HG2 ARG A 62 -29.942 52.826 -22.221 1.00 23.11 H new ATOM 0 HG3 ARG A 62 -30.534 51.765 -23.483 1.00 23.11 H new ATOM 0 HD2 ARG A 62 -28.833 53.852 -24.609 1.00 34.21 H new ATOM 0 HD3 ARG A 62 -27.994 52.997 -23.330 1.00 34.21 H new ATOM 0 HE ARG A 62 -28.580 51.991 -25.958 1.00 64.54 H new ATOM 0 HH11 ARG A 62 -28.430 51.024 -22.565 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -28.066 49.336 -22.942 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -28.110 49.821 -26.434 1.00 45.02 H new ATOM 0 HH22 ARG A 62 -27.885 48.659 -25.123 1.00 45.02 H new ATOM 883 N GLU A 63 -32.753 51.163 -22.716 1.00 21.13 N ATOM 884 CA GLU A 63 -33.113 49.775 -22.983 1.00 13.53 C ATOM 885 C GLU A 63 -34.598 49.652 -23.314 1.00 12.33 C ATOM 886 O GLU A 63 -34.942 49.040 -24.323 1.00 0.10 O ATOM 887 CB GLU A 63 -32.772 48.896 -21.778 1.00 71.14 C ATOM 888 CG GLU A 63 -32.154 47.560 -22.155 1.00 35.53 C ATOM 889 CD GLU A 63 -32.562 46.442 -21.214 1.00 0.42 C ATOM 890 OE1 GLU A 63 -31.906 46.281 -20.163 1.00 0.31 O ATOM 891 OE2 GLU A 63 -33.537 45.729 -21.528 1.00 52.41 O ATOM 0 H GLU A 63 -32.321 51.319 -21.805 1.00 21.13 H new ATOM 0 HA GLU A 63 -32.538 49.436 -23.845 1.00 13.53 H new ATOM 0 HB2 GLU A 63 -32.082 49.436 -21.129 1.00 71.14 H new ATOM 0 HB3 GLU A 63 -33.679 48.717 -21.201 1.00 71.14 H new ATOM 0 HG2 GLU A 63 -32.450 47.301 -23.171 1.00 35.53 H new ATOM 0 HG3 GLU A 63 -31.068 47.653 -22.154 1.00 35.53 H new ATOM 898 N CYS A 64 -35.434 50.229 -22.463 1.00 71.35 N ATOM 899 CA CYS A 64 -36.872 50.175 -22.676 1.00 12.32 C ATOM 900 C CYS A 64 -37.345 51.567 -23.104 1.00 22.25 C ATOM 901 O CYS A 64 -38.534 51.824 -23.288 1.00 72.25 O ATOM 902 CB CYS A 64 -37.609 49.681 -21.431 1.00 22.53 C ATOM 903 SG CYS A 64 -37.025 50.588 -19.954 1.00 13.40 S ATOM 0 H CYS A 64 -35.145 50.735 -21.626 1.00 71.35 H new ATOM 0 HA CYS A 64 -37.100 49.456 -23.463 1.00 12.32 H new ATOM 0 HB2 CYS A 64 -38.683 49.823 -21.554 1.00 22.53 H new ATOM 0 HB3 CYS A 64 -37.442 48.612 -21.300 1.00 22.53 H new ATOM 908 N LYS A 65 -36.379 52.465 -23.260 1.00 0.20 N ATOM 909 CA LYS A 65 -36.666 53.835 -23.667 1.00 74.31 C ATOM 910 C LYS A 65 -37.856 54.394 -22.891 1.00 5.13 C ATOM 911 O LYS A 65 -38.620 55.208 -23.412 1.00 21.41 O ATOM 912 CB LYS A 65 -36.950 53.895 -25.170 1.00 34.31 C ATOM 913 CG LYS A 65 -37.788 52.733 -25.677 1.00 45.13 C ATOM 914 CD LYS A 65 -37.966 52.791 -27.184 1.00 60.11 C ATOM 915 CE LYS A 65 -39.436 52.882 -27.569 1.00 25.24 C ATOM 916 NZ LYS A 65 -39.620 53.484 -28.918 1.00 73.01 N ATOM 0 H LYS A 65 -35.389 52.268 -23.111 1.00 0.20 H new ATOM 0 HA LYS A 65 -35.790 54.445 -23.445 1.00 74.31 H new ATOM 0 HB2 LYS A 65 -37.464 54.829 -25.397 1.00 34.31 H new ATOM 0 HB3 LYS A 65 -36.003 53.912 -25.710 1.00 34.31 H new ATOM 0 HG2 LYS A 65 -37.311 51.792 -25.402 1.00 45.13 H new ATOM 0 HG3 LYS A 65 -38.765 52.749 -25.193 1.00 45.13 H new ATOM 0 HD2 LYS A 65 -37.431 53.653 -27.582 1.00 60.11 H new ATOM 0 HD3 LYS A 65 -37.524 51.904 -27.638 1.00 60.11 H new ATOM 0 HE2 LYS A 65 -39.878 51.886 -27.553 1.00 25.24 H new ATOM 0 HE3 LYS A 65 -39.969 53.479 -26.829 1.00 25.24 H new ATOM 0 HZ1 LYS A 65 -40.634 53.528 -29.143 1.00 73.01 H new ATOM 0 HZ2 LYS A 65 -39.221 54.444 -28.927 1.00 73.01 H new ATOM 0 HZ3 LYS A 65 -39.133 52.900 -29.628 1.00 73.01 H new ATOM 930 N GLU A 66 -38.005 53.954 -21.648 1.00 71.43 N ATOM 931 CA GLU A 66 -39.102 54.410 -20.803 1.00 14.33 C ATOM 932 C GLU A 66 -38.575 54.978 -19.487 1.00 75.24 C ATOM 933 O GLU A 66 -37.371 54.975 -19.237 1.00 12.01 O ATOM 934 CB GLU A 66 -40.074 53.261 -20.521 1.00 1.42 C ATOM 935 CG GLU A 66 -39.847 52.589 -19.179 1.00 32.52 C ATOM 936 CD GLU A 66 -40.753 51.391 -18.965 1.00 61.40 C ATOM 937 OE1 GLU A 66 -41.281 50.863 -19.967 1.00 22.45 O ATOM 938 OE2 GLU A 66 -40.934 50.982 -17.799 1.00 51.22 O ATOM 0 H GLU A 66 -37.380 53.282 -21.202 1.00 71.43 H new ATOM 0 HA GLU A 66 -39.631 55.200 -21.336 1.00 14.33 H new ATOM 0 HB2 GLU A 66 -41.095 53.642 -20.559 1.00 1.42 H new ATOM 0 HB3 GLU A 66 -39.982 52.516 -21.311 1.00 1.42 H new ATOM 0 HG2 GLU A 66 -38.807 52.271 -19.108 1.00 32.52 H new ATOM 0 HG3 GLU A 66 -40.014 53.313 -18.382 1.00 32.52 H new ATOM 945 N ALA A 67 -39.487 55.466 -18.651 1.00 44.22 N ATOM 946 CA ALA A 67 -39.116 56.036 -17.364 1.00 73.50 C ATOM 947 C ALA A 67 -38.235 55.075 -16.571 1.00 71.23 C ATOM 948 O ALA A 67 -38.548 53.890 -16.449 1.00 3.21 O ATOM 949 CB ALA A 67 -40.362 56.393 -16.565 1.00 24.31 C ATOM 0 H ALA A 67 -40.489 55.477 -18.844 1.00 44.22 H new ATOM 0 HA ALA A 67 -38.543 56.945 -17.549 1.00 73.50 H new ATOM 0 HB1 ALA A 67 -40.069 56.818 -15.605 1.00 24.31 H new ATOM 0 HB2 ALA A 67 -40.953 57.122 -17.119 1.00 24.31 H new ATOM 0 HB3 ALA A 67 -40.957 55.495 -16.398 1.00 24.31 H new ATOM 955 N TYR A 68 -37.137 55.593 -16.034 1.00 24.25 N ATOM 956 CA TYR A 68 -36.209 54.779 -15.257 1.00 55.30 C ATOM 957 C TYR A 68 -36.944 54.016 -14.159 1.00 12.53 C ATOM 958 O TYR A 68 -37.289 54.578 -13.120 1.00 34.25 O ATOM 959 CB TYR A 68 -35.119 55.658 -14.640 1.00 71.52 C ATOM 960 CG TYR A 68 -33.805 54.940 -14.439 1.00 12.42 C ATOM 961 CD1 TYR A 68 -33.555 54.219 -13.277 1.00 60.33 C ATOM 962 CD2 TYR A 68 -32.811 54.982 -15.409 1.00 42.22 C ATOM 963 CE1 TYR A 68 -32.355 53.562 -13.088 1.00 12.43 C ATOM 964 CE2 TYR A 68 -31.608 54.328 -15.229 1.00 64.45 C ATOM 965 CZ TYR A 68 -31.385 53.619 -14.067 1.00 22.34 C ATOM 966 OH TYR A 68 -30.188 52.965 -13.883 1.00 64.23 O ATOM 0 H TYR A 68 -36.867 56.573 -16.122 1.00 24.25 H new ATOM 0 HA TYR A 68 -35.746 54.057 -15.930 1.00 55.30 H new ATOM 0 HB2 TYR A 68 -34.956 56.524 -15.281 1.00 71.52 H new ATOM 0 HB3 TYR A 68 -35.468 56.035 -13.679 1.00 71.52 H new ATOM 0 HD1 TYR A 68 -34.312 54.172 -12.509 1.00 60.33 H new ATOM 0 HD2 TYR A 68 -32.982 55.536 -16.320 1.00 42.22 H new ATOM 0 HE1 TYR A 68 -32.177 53.007 -12.179 1.00 12.43 H new ATOM 0 HE2 TYR A 68 -30.846 54.371 -15.993 1.00 64.45 H new ATOM 0 HH TYR A 68 -29.449 53.601 -13.980 1.00 64.23 H new ATOM 976 N HIS A 69 -37.179 52.730 -14.397 1.00 65.44 N ATOM 977 CA HIS A 69 -37.872 51.887 -13.429 1.00 31.11 C ATOM 978 C HIS A 69 -37.029 51.700 -12.170 1.00 31.22 C ATOM 979 O HIS A 69 -37.493 51.134 -11.181 1.00 32.51 O ATOM 980 CB HIS A 69 -38.196 50.525 -14.045 1.00 42.14 C ATOM 981 CG HIS A 69 -37.275 50.138 -15.161 1.00 32.03 C ATOM 982 ND1 HIS A 69 -37.703 49.493 -16.302 1.00 63.44 N ATOM 983 CD2 HIS A 69 -35.940 50.311 -15.308 1.00 12.31 C ATOM 984 CE1 HIS A 69 -36.673 49.284 -17.101 1.00 5.52 C ATOM 985 NE2 HIS A 69 -35.590 49.773 -16.522 1.00 60.42 N ATOM 0 H HIS A 69 -36.900 52.249 -15.252 1.00 65.44 H new ATOM 0 HA HIS A 69 -38.802 52.383 -13.153 1.00 31.11 H new ATOM 0 HB2 HIS A 69 -38.150 49.763 -13.267 1.00 42.14 H new ATOM 0 HB3 HIS A 69 -39.220 50.539 -14.418 1.00 42.14 H new ATOM 0 HD2 HIS A 69 -35.274 50.784 -14.602 1.00 12.31 H new ATOM 0 HE1 HIS A 69 -36.709 48.796 -18.064 1.00 5.52 H new ATOM 0 HE2 HIS A 69 -34.648 49.754 -16.913 1.00 60.42 H new ATOM 993 N GLU A 70 -35.790 52.180 -12.217 1.00 54.42 N ATOM 994 CA GLU A 70 -34.883 52.064 -11.079 1.00 64.05 C ATOM 995 C GLU A 70 -34.594 50.600 -10.763 1.00 1.41 C ATOM 996 O GLU A 70 -34.464 50.220 -9.600 1.00 4.22 O ATOM 997 CB GLU A 70 -35.479 52.757 -9.852 1.00 61.44 C ATOM 998 CG GLU A 70 -35.924 54.185 -10.115 1.00 21.41 C ATOM 999 CD GLU A 70 -37.378 54.419 -9.758 1.00 74.32 C ATOM 1000 OE1 GLU A 70 -37.936 53.615 -8.981 1.00 54.40 O ATOM 1001 OE2 GLU A 70 -37.960 55.406 -10.255 1.00 32.23 O ATOM 0 H GLU A 70 -35.391 52.652 -13.029 1.00 54.42 H new ATOM 0 HA GLU A 70 -33.944 52.552 -11.341 1.00 64.05 H new ATOM 0 HB2 GLU A 70 -36.333 52.179 -9.498 1.00 61.44 H new ATOM 0 HB3 GLU A 70 -34.740 52.758 -9.051 1.00 61.44 H new ATOM 0 HG2 GLU A 70 -35.298 54.868 -9.540 1.00 21.41 H new ATOM 0 HG3 GLU A 70 -35.770 54.421 -11.168 1.00 21.41 H new ATOM 1008 N GLY A 71 -34.494 49.782 -11.806 1.00 51.14 N ATOM 1009 CA GLY A 71 -34.221 48.370 -11.619 1.00 3.43 C ATOM 1010 C GLY A 71 -33.843 47.676 -12.913 1.00 12.55 C ATOM 1011 O GLY A 71 -32.725 47.834 -13.404 1.00 73.50 O ATOM 0 H GLY A 71 -34.597 50.073 -12.778 1.00 51.14 H new ATOM 0 HA2 GLY A 71 -33.413 48.252 -10.897 1.00 3.43 H new ATOM 0 HA3 GLY A 71 -35.101 47.886 -11.194 1.00 3.43 H new ATOM 1015 N GLU A 72 -34.774 46.904 -13.462 1.00 4.23 N ATOM 1016 CA GLU A 72 -34.530 46.180 -14.705 1.00 72.13 C ATOM 1017 C GLU A 72 -35.794 46.125 -15.558 1.00 62.23 C ATOM 1018 O GLU A 72 -36.893 46.081 -15.006 1.00 22.42 O ATOM 1019 CB GLU A 72 -34.039 44.762 -14.408 1.00 41.32 C ATOM 1020 CG GLU A 72 -35.044 43.918 -13.644 1.00 34.40 C ATOM 1021 CD GLU A 72 -34.562 42.497 -13.420 1.00 73.40 C ATOM 1022 OE1 GLU A 72 -33.673 42.047 -14.171 1.00 24.12 O ATOM 1023 OE2 GLU A 72 -35.076 41.837 -12.492 1.00 3.00 O ATOM 0 H GLU A 72 -35.704 46.763 -13.067 1.00 4.23 H new ATOM 0 HA GLU A 72 -33.759 46.713 -15.261 1.00 72.13 H new ATOM 0 HB2 GLU A 72 -33.800 44.265 -15.348 1.00 41.32 H new ATOM 0 HB3 GLU A 72 -33.114 44.820 -13.834 1.00 41.32 H new ATOM 0 HG2 GLU A 72 -35.247 44.385 -12.680 1.00 34.40 H new ATOM 0 HG3 GLU A 72 -35.986 43.896 -14.192 1.00 34.40 H new ATOM 1030 N CYS A 73 -35.614 46.128 -16.871 1.00 73.11 N ATOM 1031 CA CYS A 73 -36.743 46.079 -17.783 1.00 53.24 C ATOM 1032 C CYS A 73 -37.542 44.808 -17.489 1.00 61.31 C ATOM 1033 O CYS A 73 -38.758 44.744 -17.667 1.00 51.44 O ATOM 1034 CB CYS A 73 -36.295 46.147 -19.244 1.00 73.50 C ATOM 1035 SG CYS A 73 -34.990 47.416 -19.440 1.00 72.34 S ATOM 0 H CYS A 73 -34.701 46.164 -17.325 1.00 73.11 H new ATOM 0 HA CYS A 73 -37.378 46.951 -17.627 1.00 53.24 H new ATOM 0 HB2 CYS A 73 -35.919 45.175 -19.563 1.00 73.50 H new ATOM 0 HB3 CYS A 73 -37.145 46.386 -19.883 1.00 73.50 H new ATOM 1040 N SER A 74 -36.823 43.787 -17.030 1.00 61.52 N ATOM 1041 CA SER A 74 -37.438 42.505 -16.707 1.00 23.31 C ATOM 1042 C SER A 74 -38.221 42.590 -15.400 1.00 52.35 C ATOM 1043 O SER A 74 -38.741 41.589 -14.908 1.00 44.43 O ATOM 1044 CB SER A 74 -36.370 41.414 -16.603 1.00 3.44 C ATOM 1045 OG SER A 74 -36.877 40.161 -17.024 1.00 34.33 O ATOM 0 H SER A 74 -35.816 43.823 -16.874 1.00 61.52 H new ATOM 0 HA SER A 74 -38.131 42.252 -17.510 1.00 23.31 H new ATOM 0 HB2 SER A 74 -35.509 41.685 -17.214 1.00 3.44 H new ATOM 0 HB3 SER A 74 -36.020 41.341 -15.573 1.00 3.44 H new ATOM 0 HG SER A 74 -36.174 39.482 -16.949 1.00 34.33 H new ATOM 1051 N ALA A 75 -38.299 43.795 -14.844 1.00 71.03 N ATOM 1052 CA ALA A 75 -39.019 44.013 -13.595 1.00 53.21 C ATOM 1053 C ALA A 75 -40.440 44.502 -13.860 1.00 24.45 C ATOM 1054 O ALA A 75 -40.644 45.533 -14.501 1.00 21.33 O ATOM 1055 CB ALA A 75 -38.271 45.010 -12.723 1.00 54.23 C ATOM 0 H ALA A 75 -37.873 44.634 -15.238 1.00 71.03 H new ATOM 0 HA ALA A 75 -39.082 43.061 -13.068 1.00 53.21 H new ATOM 0 HB1 ALA A 75 -38.819 45.164 -11.794 1.00 54.23 H new ATOM 0 HB2 ALA A 75 -37.277 44.623 -12.498 1.00 54.23 H new ATOM 0 HB3 ALA A 75 -38.180 45.959 -13.252 1.00 54.23 H new ATOM 1061 N VAL A 76 -41.420 43.752 -13.362 1.00 52.45 N ATOM 1062 CA VAL A 76 -42.822 44.110 -13.544 1.00 64.43 C ATOM 1063 C VAL A 76 -43.126 45.473 -12.934 1.00 41.54 C ATOM 1064 O VAL A 76 -44.209 46.026 -13.131 1.00 3.33 O ATOM 1065 CB VAL A 76 -43.755 43.058 -12.916 1.00 52.12 C ATOM 1066 CG1 VAL A 76 -43.979 43.357 -11.440 1.00 23.41 C ATOM 1067 CG2 VAL A 76 -45.078 43.004 -13.662 1.00 44.34 C ATOM 0 H VAL A 76 -41.268 42.895 -12.831 1.00 52.45 H new ATOM 0 HA VAL A 76 -43.002 44.149 -14.618 1.00 64.43 H new ATOM 0 HB VAL A 76 -43.278 42.081 -12.998 1.00 52.12 H new ATOM 0 HG11 VAL A 76 -44.641 42.604 -11.012 1.00 23.41 H new ATOM 0 HG12 VAL A 76 -43.023 43.340 -10.916 1.00 23.41 H new ATOM 0 HG13 VAL A 76 -44.434 44.342 -11.333 1.00 23.41 H new ATOM 0 HG21 VAL A 76 -45.724 42.255 -13.204 1.00 44.34 H new ATOM 0 HG22 VAL A 76 -45.563 43.979 -13.614 1.00 44.34 H new ATOM 0 HG23 VAL A 76 -44.898 42.739 -14.704 1.00 44.34 H new ATOM 1077 N PHE A 77 -42.164 46.011 -12.192 1.00 31.13 N ATOM 1078 CA PHE A 77 -42.329 47.311 -11.551 1.00 61.41 C ATOM 1079 C PHE A 77 -43.564 47.323 -10.656 1.00 45.04 C ATOM 1080 O PHE A 77 -44.272 48.326 -10.573 1.00 52.22 O ATOM 1081 CB PHE A 77 -42.438 48.413 -12.607 1.00 55.13 C ATOM 1082 CG PHE A 77 -42.643 49.782 -12.025 1.00 42.33 C ATOM 1083 CD1 PHE A 77 -41.748 50.297 -11.101 1.00 43.22 C ATOM 1084 CD2 PHE A 77 -43.730 50.554 -12.401 1.00 51.31 C ATOM 1085 CE1 PHE A 77 -41.933 51.558 -10.564 1.00 31.23 C ATOM 1086 CE2 PHE A 77 -43.919 51.815 -11.869 1.00 35.33 C ATOM 1087 CZ PHE A 77 -43.021 52.317 -10.947 1.00 10.03 C ATOM 0 H PHE A 77 -41.262 45.567 -12.019 1.00 31.13 H new ATOM 0 HA PHE A 77 -41.452 47.497 -10.931 1.00 61.41 H new ATOM 0 HB2 PHE A 77 -41.532 48.416 -13.212 1.00 55.13 H new ATOM 0 HB3 PHE A 77 -43.267 48.183 -13.276 1.00 55.13 H new ATOM 0 HD1 PHE A 77 -40.896 49.707 -10.797 1.00 43.22 H new ATOM 0 HD2 PHE A 77 -44.438 50.166 -13.118 1.00 51.31 H new ATOM 0 HE1 PHE A 77 -41.227 51.949 -9.846 1.00 31.23 H new ATOM 0 HE2 PHE A 77 -44.769 52.408 -12.174 1.00 35.33 H new ATOM 0 HZ PHE A 77 -43.170 53.301 -10.527 1.00 10.03 H new ATOM 1097 N GLU A 78 -43.817 46.201 -9.990 1.00 3.53 N ATOM 1098 CA GLU A 78 -44.967 46.082 -9.103 1.00 54.33 C ATOM 1099 C GLU A 78 -44.622 45.249 -7.871 1.00 65.13 C ATOM 1100 O GLU A 78 -43.603 44.560 -7.842 1.00 22.22 O ATOM 1101 CB GLU A 78 -46.148 45.451 -9.844 1.00 74.34 C ATOM 1102 CG GLU A 78 -47.481 46.115 -9.542 1.00 40.41 C ATOM 1103 CD GLU A 78 -47.769 47.288 -10.461 1.00 72.41 C ATOM 1104 OE1 GLU A 78 -47.274 48.399 -10.180 1.00 20.43 O ATOM 1105 OE2 GLU A 78 -48.491 47.092 -11.461 1.00 42.42 O ATOM 0 H GLU A 78 -43.241 45.361 -10.048 1.00 3.53 H new ATOM 0 HA GLU A 78 -45.245 47.084 -8.776 1.00 54.33 H new ATOM 0 HB2 GLU A 78 -45.962 45.501 -10.917 1.00 74.34 H new ATOM 0 HB3 GLU A 78 -46.209 44.395 -9.580 1.00 74.34 H new ATOM 0 HG2 GLU A 78 -48.279 45.379 -9.637 1.00 40.41 H new ATOM 0 HG3 GLU A 78 -47.486 46.459 -8.508 1.00 40.41 H new ATOM 1112 N ALA A 79 -45.478 45.321 -6.857 1.00 11.15 N ATOM 1113 CA ALA A 79 -45.264 44.572 -5.624 1.00 11.41 C ATOM 1114 C ALA A 79 -46.572 43.987 -5.103 1.00 42.02 C ATOM 1115 O ALA A 79 -47.480 44.721 -4.713 1.00 1.41 O ATOM 1116 CB ALA A 79 -44.626 45.465 -4.569 1.00 44.24 C ATOM 0 H ALA A 79 -46.325 45.889 -6.865 1.00 11.15 H new ATOM 0 HA ALA A 79 -44.588 43.745 -5.842 1.00 11.41 H new ATOM 0 HB1 ALA A 79 -44.472 44.894 -3.654 1.00 44.24 H new ATOM 0 HB2 ALA A 79 -43.667 45.831 -4.934 1.00 44.24 H new ATOM 0 HB3 ALA A 79 -45.282 46.310 -4.363 1.00 44.24 H new ATOM 1122 N SER A 80 -46.662 42.660 -5.102 1.00 11.44 N ATOM 1123 CA SER A 80 -47.862 41.977 -4.633 1.00 22.41 C ATOM 1124 C SER A 80 -47.750 41.638 -3.149 1.00 42.30 C ATOM 1125 O SER A 80 -46.655 41.608 -2.592 1.00 24.44 O ATOM 1126 CB SER A 80 -48.095 40.700 -5.444 1.00 31.11 C ATOM 1127 OG SER A 80 -49.431 40.247 -5.306 1.00 40.12 O ATOM 0 H SER A 80 -45.919 42.038 -5.420 1.00 11.44 H new ATOM 0 HA SER A 80 -48.710 42.647 -4.771 1.00 22.41 H new ATOM 0 HB2 SER A 80 -47.878 40.888 -6.495 1.00 31.11 H new ATOM 0 HB3 SER A 80 -47.407 39.923 -5.111 1.00 31.11 H new ATOM 0 HG SER A 80 -49.556 39.431 -5.834 1.00 40.12 H new TER 1133 SER A 80 HETATM 1134 ZN ZN A 201 -36.042 65.884 -23.379 1.00 41.53 ZN HETATM 1135 ZN ZN A 401 -35.262 49.601 -18.842 1.00 2.31 ZN