USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 835 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 58 MET CE :methyl -174:sc= -3.63! (180deg=-3.7!) USER MOD Set 1.2: A 70 MET CE :methyl 171:sc= -0.0586 (180deg=-0.274) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.128 (180deg=-0.624) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0355 (180deg=-0.241) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0264 (180deg=-0.446) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0.82 (180deg=0.654) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -79:sc= 1.01 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0181 (180deg=-0.213) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 50 MET CE :methyl -160:sc= -0.35 (180deg=-1.99) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= 0.943 (180deg=0.581) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl 175:sc= -2.15 (180deg=-2.47) USER MOD Single : A 62 TYR OH : rot 151:sc= 0.00189 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0374 (180deg=-0.213) USER MOD Single : A 67 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.35) USER MOD Single : A 72 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.46) USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= 0.486 (180deg=0.243) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0.463 (180deg=0.463) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0034) USER MOD Single : A 86 SER OG : rot 180:sc=-0.00975 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= 0.0199 K(o=0.02,f=-1.4) USER MOD Single : A 98 HIS : no HE2:sc= -0.0866 K(o=-0.087,f=-1.7) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.821 -20.393 8.791 1.00 72.53 N ATOM 2 CA MET A 1 -6.643 -19.665 8.241 1.00 65.53 C ATOM 3 C MET A 1 -5.408 -19.874 9.139 1.00 25.33 C ATOM 4 O MET A 1 -5.418 -19.485 10.312 1.00 22.20 O ATOM 5 CB MET A 1 -6.954 -18.150 8.096 1.00 53.21 C ATOM 6 CG MET A 1 -5.802 -17.315 7.507 1.00 43.31 C ATOM 7 SD MET A 1 -6.185 -15.556 7.411 1.00 4.02 S ATOM 8 CE MET A 1 -7.633 -15.546 6.355 1.00 62.30 C ATOM 0 H1 MET A 1 -8.643 -20.240 8.173 1.00 72.53 H new ATOM 0 H2 MET A 1 -7.609 -21.410 8.840 1.00 72.53 H new ATOM 0 H3 MET A 1 -8.034 -20.038 9.745 1.00 72.53 H new ATOM 0 HA MET A 1 -6.425 -20.069 7.253 1.00 65.53 H new ATOM 0 HB2 MET A 1 -7.833 -18.031 7.462 1.00 53.21 H new ATOM 0 HB3 MET A 1 -7.212 -17.749 9.076 1.00 53.21 H new ATOM 0 HG2 MET A 1 -4.910 -17.454 8.118 1.00 43.31 H new ATOM 0 HG3 MET A 1 -5.566 -17.685 6.509 1.00 43.31 H new ATOM 0 HE1 MET A 1 -7.764 -14.552 5.926 1.00 62.30 H new ATOM 0 HE2 MET A 1 -7.504 -16.273 5.553 1.00 62.30 H new ATOM 0 HE3 MET A 1 -8.513 -15.807 6.942 1.00 62.30 H new ATOM 20 N GLN A 2 -4.350 -20.493 8.582 1.00 61.42 N ATOM 21 CA GLN A 2 -3.067 -20.673 9.300 1.00 41.13 C ATOM 22 C GLN A 2 -2.162 -19.423 9.156 1.00 61.14 C ATOM 23 O GLN A 2 -2.396 -18.562 8.294 1.00 74.40 O ATOM 24 CB GLN A 2 -2.337 -21.962 8.833 1.00 4.11 C ATOM 25 CG GLN A 2 -1.984 -22.033 7.333 1.00 73.51 C ATOM 26 CD GLN A 2 -1.264 -23.336 6.950 1.00 42.32 C ATOM 27 OE1 GLN A 2 -0.527 -23.921 7.743 1.00 21.34 O ATOM 28 NE2 GLN A 2 -1.468 -23.796 5.734 1.00 13.31 N ATOM 0 H GLN A 2 -4.355 -20.878 7.637 1.00 61.42 H new ATOM 0 HA GLN A 2 -3.293 -20.791 10.360 1.00 41.13 H new ATOM 0 HB2 GLN A 2 -1.416 -22.063 9.408 1.00 4.11 H new ATOM 0 HB3 GLN A 2 -2.963 -22.820 9.080 1.00 4.11 H new ATOM 0 HG2 GLN A 2 -2.897 -21.942 6.745 1.00 73.51 H new ATOM 0 HG3 GLN A 2 -1.352 -21.184 7.073 1.00 73.51 H new ATOM 0 HE21 GLN A 2 -2.084 -23.293 5.095 1.00 13.31 H new ATOM 0 HE22 GLN A 2 -1.011 -24.656 5.431 1.00 13.31 H new ATOM 37 N GLU A 3 -1.107 -19.360 9.994 1.00 70.12 N ATOM 38 CA GLU A 3 -0.282 -18.139 10.176 1.00 14.24 C ATOM 39 C GLU A 3 0.559 -17.756 8.917 1.00 62.42 C ATOM 40 O GLU A 3 1.034 -16.618 8.815 1.00 13.43 O ATOM 41 CB GLU A 3 0.634 -18.320 11.421 1.00 30.34 C ATOM 42 CG GLU A 3 1.250 -17.009 11.960 1.00 42.12 C ATOM 43 CD GLU A 3 2.166 -17.220 13.178 1.00 52.23 C ATOM 44 OE1 GLU A 3 1.669 -17.229 14.325 1.00 74.22 O ATOM 45 OE2 GLU A 3 3.394 -17.370 12.988 1.00 52.14 O ATOM 0 H GLU A 3 -0.800 -20.149 10.563 1.00 70.12 H new ATOM 0 HA GLU A 3 -0.968 -17.306 10.331 1.00 14.24 H new ATOM 0 HB2 GLU A 3 0.055 -18.789 12.217 1.00 30.34 H new ATOM 0 HB3 GLU A 3 1.440 -19.008 11.166 1.00 30.34 H new ATOM 0 HG2 GLU A 3 1.821 -16.530 11.164 1.00 42.12 H new ATOM 0 HG3 GLU A 3 0.447 -16.324 12.233 1.00 42.12 H new ATOM 52 N GLU A 4 0.724 -18.699 7.965 1.00 42.32 N ATOM 53 CA GLU A 4 1.448 -18.440 6.689 1.00 33.14 C ATOM 54 C GLU A 4 0.772 -17.308 5.868 1.00 1.50 C ATOM 55 O GLU A 4 1.426 -16.325 5.490 1.00 54.01 O ATOM 56 CB GLU A 4 1.549 -19.735 5.837 1.00 24.30 C ATOM 57 CG GLU A 4 2.337 -20.883 6.508 1.00 44.34 C ATOM 58 CD GLU A 4 2.559 -22.088 5.572 1.00 14.03 C ATOM 59 OE1 GLU A 4 1.678 -22.964 5.495 1.00 71.42 O ATOM 60 OE2 GLU A 4 3.621 -22.162 4.916 1.00 34.10 O ATOM 0 H GLU A 4 0.367 -19.651 8.051 1.00 42.32 H new ATOM 0 HA GLU A 4 2.455 -18.112 6.948 1.00 33.14 H new ATOM 0 HB2 GLU A 4 0.542 -20.086 5.611 1.00 24.30 H new ATOM 0 HB3 GLU A 4 2.023 -19.493 4.886 1.00 24.30 H new ATOM 0 HG2 GLU A 4 3.304 -20.506 6.842 1.00 44.34 H new ATOM 0 HG3 GLU A 4 1.800 -21.214 7.397 1.00 44.34 H new ATOM 67 N ARG A 5 -0.546 -17.453 5.614 1.00 4.35 N ATOM 68 CA ARG A 5 -1.346 -16.404 4.939 1.00 41.00 C ATOM 69 C ARG A 5 -1.586 -15.205 5.888 1.00 1.12 C ATOM 70 O ARG A 5 -1.574 -14.057 5.454 1.00 43.24 O ATOM 71 CB ARG A 5 -2.721 -16.954 4.452 1.00 45.12 C ATOM 72 CG ARG A 5 -3.597 -15.888 3.733 1.00 22.21 C ATOM 73 CD ARG A 5 -5.061 -16.317 3.522 1.00 41.24 C ATOM 74 NE ARG A 5 -5.223 -17.375 2.506 1.00 51.54 N ATOM 75 CZ ARG A 5 -6.196 -17.418 1.613 1.00 33.42 C ATOM 76 NH1 ARG A 5 -7.052 -16.451 1.501 1.00 55.10 N ATOM 77 NH2 ARG A 5 -6.299 -18.435 0.828 1.00 4.02 N ATOM 0 H ARG A 5 -1.080 -18.285 5.865 1.00 4.35 H new ATOM 0 HA ARG A 5 -0.775 -16.076 4.071 1.00 41.00 H new ATOM 0 HB2 ARG A 5 -2.549 -17.789 3.773 1.00 45.12 H new ATOM 0 HB3 ARG A 5 -3.270 -17.346 5.308 1.00 45.12 H new ATOM 0 HG2 ARG A 5 -3.580 -14.966 4.315 1.00 22.21 H new ATOM 0 HG3 ARG A 5 -3.153 -15.661 2.764 1.00 22.21 H new ATOM 0 HD2 ARG A 5 -5.469 -16.669 4.470 1.00 41.24 H new ATOM 0 HD3 ARG A 5 -5.647 -15.447 3.226 1.00 41.24 H new ATOM 0 HE ARG A 5 -4.534 -18.127 2.492 1.00 51.54 H new ATOM 0 HH11 ARG A 5 -6.982 -15.635 2.109 1.00 55.10 H new ATOM 0 HH12 ARG A 5 -7.795 -16.506 0.804 1.00 55.10 H new ATOM 0 HH21 ARG A 5 -5.631 -19.203 0.898 1.00 4.02 H new ATOM 0 HH22 ARG A 5 -7.049 -18.472 0.137 1.00 4.02 H new ATOM 91 N LYS A 6 -1.787 -15.494 7.183 1.00 53.31 N ATOM 92 CA LYS A 6 -2.185 -14.473 8.183 1.00 72.13 C ATOM 93 C LYS A 6 -1.094 -13.381 8.386 1.00 54.23 C ATOM 94 O LYS A 6 -1.419 -12.207 8.587 1.00 43.23 O ATOM 95 CB LYS A 6 -2.534 -15.166 9.524 1.00 13.05 C ATOM 96 CG LYS A 6 -3.317 -14.290 10.527 1.00 45.12 C ATOM 97 CD LYS A 6 -4.725 -13.905 10.011 1.00 23.14 C ATOM 98 CE LYS A 6 -5.560 -13.162 11.069 1.00 44.53 C ATOM 99 NZ LYS A 6 -5.775 -13.989 12.290 1.00 2.24 N ATOM 0 H LYS A 6 -1.681 -16.431 7.571 1.00 53.31 H new ATOM 0 HA LYS A 6 -3.067 -13.958 7.801 1.00 72.13 H new ATOM 0 HB2 LYS A 6 -3.119 -16.061 9.312 1.00 13.05 H new ATOM 0 HB3 LYS A 6 -1.609 -15.495 9.997 1.00 13.05 H new ATOM 0 HG2 LYS A 6 -3.414 -14.825 11.472 1.00 45.12 H new ATOM 0 HG3 LYS A 6 -2.749 -13.383 10.732 1.00 45.12 H new ATOM 0 HD2 LYS A 6 -4.624 -13.277 9.126 1.00 23.14 H new ATOM 0 HD3 LYS A 6 -5.254 -14.807 9.703 1.00 23.14 H new ATOM 0 HE2 LYS A 6 -5.057 -12.235 11.343 1.00 44.53 H new ATOM 0 HE3 LYS A 6 -6.525 -12.887 10.642 1.00 44.53 H new ATOM 0 HZ1 LYS A 6 -6.513 -13.553 12.879 1.00 2.24 H new ATOM 0 HZ2 LYS A 6 -6.073 -14.946 12.013 1.00 2.24 H new ATOM 0 HZ3 LYS A 6 -4.889 -14.046 12.831 1.00 2.24 H new ATOM 113 N LYS A 7 0.197 -13.781 8.330 1.00 44.22 N ATOM 114 CA LYS A 7 1.346 -12.833 8.376 1.00 41.12 C ATOM 115 C LYS A 7 1.513 -12.058 7.043 1.00 11.24 C ATOM 116 O LYS A 7 1.995 -10.919 7.032 1.00 75.33 O ATOM 117 CB LYS A 7 2.665 -13.550 8.794 1.00 5.22 C ATOM 118 CG LYS A 7 2.845 -13.661 10.329 1.00 51.02 C ATOM 119 CD LYS A 7 4.241 -14.189 10.756 1.00 4.45 C ATOM 120 CE LYS A 7 4.590 -13.820 12.215 1.00 23.32 C ATOM 121 NZ LYS A 7 3.639 -14.386 13.197 1.00 4.42 N ATOM 0 H LYS A 7 0.475 -14.759 8.252 1.00 44.22 H new ATOM 0 HA LYS A 7 1.120 -12.095 9.146 1.00 41.12 H new ATOM 0 HB2 LYS A 7 2.679 -14.550 8.361 1.00 5.22 H new ATOM 0 HB3 LYS A 7 3.513 -13.009 8.374 1.00 5.22 H new ATOM 0 HG2 LYS A 7 2.685 -12.680 10.777 1.00 51.02 H new ATOM 0 HG3 LYS A 7 2.078 -14.324 10.729 1.00 51.02 H new ATOM 0 HD2 LYS A 7 4.267 -15.273 10.642 1.00 4.45 H new ATOM 0 HD3 LYS A 7 5.000 -13.780 10.089 1.00 4.45 H new ATOM 0 HE2 LYS A 7 5.595 -14.176 12.444 1.00 23.32 H new ATOM 0 HE3 LYS A 7 4.605 -12.735 12.316 1.00 23.32 H new ATOM 0 HZ1 LYS A 7 3.691 -13.844 14.083 1.00 4.42 H new ATOM 0 HZ2 LYS A 7 2.673 -14.333 12.815 1.00 4.42 H new ATOM 0 HZ3 LYS A 7 3.883 -15.379 13.384 1.00 4.42 H new ATOM 135 N LEU A 8 1.122 -12.683 5.925 1.00 75.03 N ATOM 136 CA LEU A 8 1.056 -11.999 4.609 1.00 4.41 C ATOM 137 C LEU A 8 -0.021 -10.871 4.632 1.00 13.34 C ATOM 138 O LEU A 8 0.172 -9.795 4.052 1.00 51.33 O ATOM 139 CB LEU A 8 0.761 -13.040 3.499 1.00 12.12 C ATOM 140 CG LEU A 8 0.673 -12.507 2.034 1.00 54.25 C ATOM 141 CD1 LEU A 8 1.997 -11.837 1.589 1.00 72.05 C ATOM 142 CD2 LEU A 8 0.265 -13.645 1.072 1.00 25.53 C ATOM 0 H LEU A 8 0.844 -13.664 5.897 1.00 75.03 H new ATOM 0 HA LEU A 8 2.016 -11.529 4.396 1.00 4.41 H new ATOM 0 HB2 LEU A 8 1.538 -13.804 3.536 1.00 12.12 H new ATOM 0 HB3 LEU A 8 -0.182 -13.532 3.738 1.00 12.12 H new ATOM 0 HG LEU A 8 -0.098 -11.738 2.000 1.00 54.25 H new ATOM 0 HD11 LEU A 8 1.897 -11.479 0.564 1.00 72.05 H new ATOM 0 HD12 LEU A 8 2.219 -10.997 2.247 1.00 72.05 H new ATOM 0 HD13 LEU A 8 2.808 -12.563 1.642 1.00 72.05 H new ATOM 0 HD21 LEU A 8 0.208 -13.258 0.055 1.00 25.53 H new ATOM 0 HD22 LEU A 8 1.007 -14.442 1.116 1.00 25.53 H new ATOM 0 HD23 LEU A 8 -0.708 -14.039 1.366 1.00 25.53 H new ATOM 154 N LEU A 9 -1.137 -11.141 5.337 1.00 34.15 N ATOM 155 CA LEU A 9 -2.218 -10.156 5.588 1.00 12.24 C ATOM 156 C LEU A 9 -1.787 -9.095 6.626 1.00 41.34 C ATOM 157 O LEU A 9 -2.225 -7.943 6.568 1.00 1.44 O ATOM 158 CB LEU A 9 -3.491 -10.885 6.083 1.00 23.51 C ATOM 159 CG LEU A 9 -4.078 -11.958 5.118 1.00 74.35 C ATOM 160 CD1 LEU A 9 -5.279 -12.685 5.757 1.00 53.14 C ATOM 161 CD2 LEU A 9 -4.458 -11.339 3.750 1.00 70.53 C ATOM 0 H LEU A 9 -1.319 -12.054 5.753 1.00 34.15 H new ATOM 0 HA LEU A 9 -2.429 -9.644 4.649 1.00 12.24 H new ATOM 0 HB2 LEU A 9 -3.265 -11.365 7.035 1.00 23.51 H new ATOM 0 HB3 LEU A 9 -4.261 -10.139 6.278 1.00 23.51 H new ATOM 0 HG LEU A 9 -3.300 -12.700 4.937 1.00 74.35 H new ATOM 0 HD11 LEU A 9 -5.667 -13.428 5.060 1.00 53.14 H new ATOM 0 HD12 LEU A 9 -4.959 -13.180 6.674 1.00 53.14 H new ATOM 0 HD13 LEU A 9 -6.061 -11.962 5.989 1.00 53.14 H new ATOM 0 HD21 LEU A 9 -4.864 -12.114 3.100 1.00 70.53 H new ATOM 0 HD22 LEU A 9 -5.206 -10.561 3.898 1.00 70.53 H new ATOM 0 HD23 LEU A 9 -3.571 -10.906 3.288 1.00 70.53 H new ATOM 173 N GLU A 10 -0.933 -9.517 7.577 1.00 21.15 N ATOM 174 CA GLU A 10 -0.346 -8.630 8.607 1.00 61.41 C ATOM 175 C GLU A 10 0.531 -7.527 7.963 1.00 53.40 C ATOM 176 O GLU A 10 0.598 -6.393 8.458 1.00 3.02 O ATOM 177 CB GLU A 10 0.507 -9.467 9.596 1.00 4.44 C ATOM 178 CG GLU A 10 1.023 -8.701 10.832 1.00 52.11 C ATOM 179 CD GLU A 10 2.286 -9.310 11.468 1.00 54.03 C ATOM 180 OE1 GLU A 10 2.213 -10.427 12.017 1.00 12.14 O ATOM 181 OE2 GLU A 10 3.362 -8.672 11.411 1.00 73.31 O ATOM 0 H GLU A 10 -0.627 -10.487 7.656 1.00 21.15 H new ATOM 0 HA GLU A 10 -1.162 -8.146 9.144 1.00 61.41 H new ATOM 0 HB2 GLU A 10 -0.088 -10.314 9.936 1.00 4.44 H new ATOM 0 HB3 GLU A 10 1.363 -9.874 9.058 1.00 4.44 H new ATOM 0 HG2 GLU A 10 1.234 -7.671 10.545 1.00 52.11 H new ATOM 0 HG3 GLU A 10 0.232 -8.667 11.581 1.00 52.11 H new ATOM 188 N LYS A 11 1.196 -7.890 6.845 1.00 63.10 N ATOM 189 CA LYS A 11 2.057 -6.968 6.072 1.00 31.25 C ATOM 190 C LYS A 11 1.256 -5.760 5.516 1.00 31.43 C ATOM 191 O LYS A 11 1.815 -4.671 5.364 1.00 43.43 O ATOM 192 CB LYS A 11 2.783 -7.732 4.926 1.00 62.43 C ATOM 193 CG LYS A 11 3.784 -6.874 4.103 1.00 42.25 C ATOM 194 CD LYS A 11 4.524 -7.667 2.994 1.00 71.12 C ATOM 195 CE LYS A 11 5.508 -8.706 3.546 1.00 54.15 C ATOM 196 NZ LYS A 11 6.617 -8.062 4.299 1.00 11.22 N ATOM 0 H LYS A 11 1.151 -8.830 6.453 1.00 63.10 H new ATOM 0 HA LYS A 11 2.809 -6.568 6.753 1.00 31.25 H new ATOM 0 HB2 LYS A 11 3.319 -8.578 5.355 1.00 62.43 H new ATOM 0 HB3 LYS A 11 2.033 -8.140 4.248 1.00 62.43 H new ATOM 0 HG2 LYS A 11 3.246 -6.044 3.645 1.00 42.25 H new ATOM 0 HG3 LYS A 11 4.520 -6.442 4.781 1.00 42.25 H new ATOM 0 HD2 LYS A 11 3.790 -8.170 2.365 1.00 71.12 H new ATOM 0 HD3 LYS A 11 5.064 -6.968 2.356 1.00 71.12 H new ATOM 0 HE2 LYS A 11 4.978 -9.399 4.199 1.00 54.15 H new ATOM 0 HE3 LYS A 11 5.918 -9.293 2.724 1.00 54.15 H new ATOM 0 HZ1 LYS A 11 7.349 -8.770 4.512 1.00 11.22 H new ATOM 0 HZ2 LYS A 11 7.029 -7.299 3.725 1.00 11.22 H new ATOM 0 HZ3 LYS A 11 6.249 -7.666 5.188 1.00 11.22 H new ATOM 210 N LEU A 12 -0.057 -5.956 5.236 1.00 34.23 N ATOM 211 CA LEU A 12 -0.959 -4.848 4.828 1.00 11.11 C ATOM 212 C LEU A 12 -0.972 -3.713 5.877 1.00 54.12 C ATOM 213 O LEU A 12 -0.899 -2.548 5.514 1.00 41.00 O ATOM 214 CB LEU A 12 -2.423 -5.329 4.555 1.00 74.44 C ATOM 215 CG LEU A 12 -2.707 -5.977 3.162 1.00 50.11 C ATOM 216 CD1 LEU A 12 -2.256 -5.043 2.018 1.00 20.04 C ATOM 217 CD2 LEU A 12 -2.088 -7.384 3.041 1.00 60.32 C ATOM 0 H LEU A 12 -0.514 -6.867 5.285 1.00 34.23 H new ATOM 0 HA LEU A 12 -0.554 -4.465 3.891 1.00 11.11 H new ATOM 0 HB2 LEU A 12 -2.692 -6.051 5.326 1.00 74.44 H new ATOM 0 HB3 LEU A 12 -3.088 -4.474 4.673 1.00 74.44 H new ATOM 0 HG LEU A 12 -3.785 -6.109 3.073 1.00 50.11 H new ATOM 0 HD11 LEU A 12 -2.464 -5.516 1.058 1.00 20.04 H new ATOM 0 HD12 LEU A 12 -2.799 -4.100 2.083 1.00 20.04 H new ATOM 0 HD13 LEU A 12 -1.186 -4.853 2.104 1.00 20.04 H new ATOM 0 HD21 LEU A 12 -2.311 -7.796 2.057 1.00 60.32 H new ATOM 0 HD22 LEU A 12 -1.008 -7.319 3.171 1.00 60.32 H new ATOM 0 HD23 LEU A 12 -2.507 -8.033 3.809 1.00 60.32 H new ATOM 229 N GLU A 13 -1.056 -4.064 7.172 1.00 62.31 N ATOM 230 CA GLU A 13 -1.023 -3.060 8.257 1.00 43.23 C ATOM 231 C GLU A 13 0.292 -2.256 8.249 1.00 3.35 C ATOM 232 O GLU A 13 0.255 -1.035 8.288 1.00 23.05 O ATOM 233 CB GLU A 13 -1.239 -3.706 9.650 1.00 71.35 C ATOM 234 CG GLU A 13 -2.673 -4.202 9.928 1.00 70.13 C ATOM 235 CD GLU A 13 -3.064 -5.480 9.173 1.00 21.22 C ATOM 236 OE1 GLU A 13 -2.708 -6.577 9.649 1.00 61.32 O ATOM 237 OE2 GLU A 13 -3.731 -5.395 8.118 1.00 70.32 O ATOM 0 H GLU A 13 -1.147 -5.027 7.494 1.00 62.31 H new ATOM 0 HA GLU A 13 -1.849 -2.375 8.067 1.00 43.23 H new ATOM 0 HB2 GLU A 13 -0.554 -4.548 9.753 1.00 71.35 H new ATOM 0 HB3 GLU A 13 -0.968 -2.979 10.416 1.00 71.35 H new ATOM 0 HG2 GLU A 13 -2.781 -4.380 10.998 1.00 70.13 H new ATOM 0 HG3 GLU A 13 -3.375 -3.411 9.664 1.00 70.13 H new ATOM 244 N LYS A 14 1.438 -2.956 8.145 1.00 51.33 N ATOM 245 CA LYS A 14 2.769 -2.307 8.219 1.00 34.11 C ATOM 246 C LYS A 14 3.016 -1.347 7.029 1.00 54.00 C ATOM 247 O LYS A 14 3.475 -0.216 7.230 1.00 63.41 O ATOM 248 CB LYS A 14 3.908 -3.353 8.312 1.00 50.33 C ATOM 249 CG LYS A 14 5.313 -2.720 8.492 1.00 35.42 C ATOM 250 CD LYS A 14 6.438 -3.748 8.725 1.00 23.31 C ATOM 251 CE LYS A 14 7.815 -3.080 8.911 1.00 12.15 C ATOM 252 NZ LYS A 14 8.897 -4.072 9.133 1.00 30.22 N ATOM 0 H LYS A 14 1.473 -3.966 8.010 1.00 51.33 H new ATOM 0 HA LYS A 14 2.773 -1.713 9.133 1.00 34.11 H new ATOM 0 HB2 LYS A 14 3.709 -4.022 9.149 1.00 50.33 H new ATOM 0 HB3 LYS A 14 3.906 -3.963 7.409 1.00 50.33 H new ATOM 0 HG2 LYS A 14 5.551 -2.131 7.607 1.00 35.42 H new ATOM 0 HG3 LYS A 14 5.284 -2.030 9.336 1.00 35.42 H new ATOM 0 HD2 LYS A 14 6.204 -4.345 9.607 1.00 23.31 H new ATOM 0 HD3 LYS A 14 6.481 -4.434 7.879 1.00 23.31 H new ATOM 0 HE2 LYS A 14 8.048 -2.482 8.030 1.00 12.15 H new ATOM 0 HE3 LYS A 14 7.773 -2.396 9.758 1.00 12.15 H new ATOM 0 HZ1 LYS A 14 9.803 -3.576 9.253 1.00 30.22 H new ATOM 0 HZ2 LYS A 14 8.690 -4.626 9.988 1.00 30.22 H new ATOM 0 HZ3 LYS A 14 8.957 -4.710 8.314 1.00 30.22 H new ATOM 266 N ILE A 15 2.701 -1.803 5.793 1.00 23.04 N ATOM 267 CA ILE A 15 2.841 -0.960 4.580 1.00 3.33 C ATOM 268 C ILE A 15 1.915 0.265 4.683 1.00 71.20 C ATOM 269 O ILE A 15 2.390 1.380 4.737 1.00 70.20 O ATOM 270 CB ILE A 15 2.493 -1.733 3.246 1.00 42.30 C ATOM 271 CG1 ILE A 15 3.383 -2.997 3.074 1.00 31.00 C ATOM 272 CG2 ILE A 15 2.609 -0.802 1.999 1.00 43.01 C ATOM 273 CD1 ILE A 15 3.089 -3.817 1.826 1.00 11.35 C ATOM 0 H ILE A 15 2.351 -2.743 5.610 1.00 23.04 H new ATOM 0 HA ILE A 15 3.888 -0.661 4.534 1.00 3.33 H new ATOM 0 HB ILE A 15 1.456 -2.060 3.325 1.00 42.30 H new ATOM 0 HG12 ILE A 15 4.428 -2.688 3.052 1.00 31.00 H new ATOM 0 HG13 ILE A 15 3.258 -3.635 3.949 1.00 31.00 H new ATOM 0 HG21 ILE A 15 2.363 -1.366 1.099 1.00 43.01 H new ATOM 0 HG22 ILE A 15 1.917 0.034 2.104 1.00 43.01 H new ATOM 0 HG23 ILE A 15 3.628 -0.423 1.922 1.00 43.01 H new ATOM 0 HD11 ILE A 15 3.757 -4.677 1.790 1.00 11.35 H new ATOM 0 HD12 ILE A 15 2.055 -4.161 1.852 1.00 11.35 H new ATOM 0 HD13 ILE A 15 3.244 -3.200 0.941 1.00 11.35 H new ATOM 285 N LEU A 16 0.605 0.002 4.826 1.00 11.50 N ATOM 286 CA LEU A 16 -0.462 1.037 4.762 1.00 31.31 C ATOM 287 C LEU A 16 -0.346 2.087 5.898 1.00 2.14 C ATOM 288 O LEU A 16 -0.764 3.237 5.736 1.00 73.54 O ATOM 289 CB LEU A 16 -1.865 0.355 4.745 1.00 52.32 C ATOM 290 CG LEU A 16 -2.359 -0.221 3.364 1.00 10.22 C ATOM 291 CD1 LEU A 16 -1.325 -1.145 2.676 1.00 51.40 C ATOM 292 CD2 LEU A 16 -3.704 -0.966 3.530 1.00 5.31 C ATOM 0 H LEU A 16 0.246 -0.938 4.991 1.00 11.50 H new ATOM 0 HA LEU A 16 -0.331 1.591 3.833 1.00 31.31 H new ATOM 0 HB2 LEU A 16 -1.855 -0.460 5.469 1.00 52.32 H new ATOM 0 HB3 LEU A 16 -2.600 1.081 5.092 1.00 52.32 H new ATOM 0 HG LEU A 16 -2.494 0.642 2.712 1.00 10.22 H new ATOM 0 HD11 LEU A 16 -1.731 -1.505 1.731 1.00 51.40 H new ATOM 0 HD12 LEU A 16 -0.407 -0.588 2.488 1.00 51.40 H new ATOM 0 HD13 LEU A 16 -1.107 -1.994 3.324 1.00 51.40 H new ATOM 0 HD21 LEU A 16 -4.026 -1.355 2.564 1.00 5.31 H new ATOM 0 HD22 LEU A 16 -3.579 -1.792 4.230 1.00 5.31 H new ATOM 0 HD23 LEU A 16 -4.457 -0.277 3.913 1.00 5.31 H new ATOM 304 N ASP A 17 0.228 1.675 7.040 1.00 4.33 N ATOM 305 CA ASP A 17 0.471 2.570 8.192 1.00 0.11 C ATOM 306 C ASP A 17 1.708 3.482 7.959 1.00 43.15 C ATOM 307 O ASP A 17 1.635 4.694 8.161 1.00 73.54 O ATOM 308 CB ASP A 17 0.652 1.719 9.474 1.00 43.45 C ATOM 309 CG ASP A 17 0.843 2.546 10.751 1.00 61.21 C ATOM 310 OD1 ASP A 17 -0.149 3.107 11.261 1.00 64.21 O ATOM 311 OD2 ASP A 17 1.983 2.642 11.251 1.00 50.40 O ATOM 0 H ASP A 17 0.537 0.715 7.194 1.00 4.33 H new ATOM 0 HA ASP A 17 -0.392 3.225 8.309 1.00 0.11 H new ATOM 0 HB2 ASP A 17 -0.220 1.076 9.597 1.00 43.45 H new ATOM 0 HB3 ASP A 17 1.514 1.065 9.345 1.00 43.45 H new ATOM 316 N GLU A 18 2.842 2.878 7.548 1.00 14.21 N ATOM 317 CA GLU A 18 4.130 3.610 7.366 1.00 4.42 C ATOM 318 C GLU A 18 4.222 4.377 6.025 1.00 23.35 C ATOM 319 O GLU A 18 5.029 5.306 5.896 1.00 30.13 O ATOM 320 CB GLU A 18 5.337 2.654 7.510 1.00 12.22 C ATOM 321 CG GLU A 18 5.477 2.021 8.908 1.00 2.53 C ATOM 322 CD GLU A 18 6.873 1.427 9.148 1.00 22.24 C ATOM 323 OE1 GLU A 18 7.800 2.191 9.506 1.00 42.34 O ATOM 324 OE2 GLU A 18 7.058 0.207 8.979 1.00 23.41 O ATOM 0 H GLU A 18 2.900 1.883 7.333 1.00 14.21 H new ATOM 0 HA GLU A 18 4.158 4.357 8.160 1.00 4.42 H new ATOM 0 HB2 GLU A 18 5.246 1.858 6.770 1.00 12.22 H new ATOM 0 HB3 GLU A 18 6.250 3.202 7.278 1.00 12.22 H new ATOM 0 HG2 GLU A 18 5.271 2.776 9.667 1.00 2.53 H new ATOM 0 HG3 GLU A 18 4.728 1.238 9.026 1.00 2.53 H new ATOM 331 N VAL A 19 3.426 3.976 5.026 1.00 73.25 N ATOM 332 CA VAL A 19 3.456 4.602 3.686 1.00 45.10 C ATOM 333 C VAL A 19 2.763 5.982 3.689 1.00 0.52 C ATOM 334 O VAL A 19 3.041 6.815 2.829 1.00 60.01 O ATOM 335 CB VAL A 19 2.860 3.664 2.585 1.00 4.14 C ATOM 336 CG1 VAL A 19 1.345 3.470 2.743 1.00 63.42 C ATOM 337 CG2 VAL A 19 3.231 4.157 1.176 1.00 73.21 C ATOM 0 H VAL A 19 2.749 3.218 5.115 1.00 73.25 H new ATOM 0 HA VAL A 19 4.505 4.761 3.434 1.00 45.10 H new ATOM 0 HB VAL A 19 3.311 2.681 2.720 1.00 4.14 H new ATOM 0 HG11 VAL A 19 0.978 2.811 1.956 1.00 63.42 H new ATOM 0 HG12 VAL A 19 1.135 3.025 3.715 1.00 63.42 H new ATOM 0 HG13 VAL A 19 0.845 4.436 2.670 1.00 63.42 H new ATOM 0 HG21 VAL A 19 2.803 3.486 0.431 1.00 73.21 H new ATOM 0 HG22 VAL A 19 2.837 5.162 1.027 1.00 73.21 H new ATOM 0 HG23 VAL A 19 4.316 4.173 1.070 1.00 73.21 H new ATOM 347 N THR A 20 1.864 6.211 4.671 1.00 43.01 N ATOM 348 CA THR A 20 1.285 7.553 4.927 1.00 34.14 C ATOM 349 C THR A 20 2.404 8.567 5.258 1.00 23.14 C ATOM 350 O THR A 20 2.377 9.701 4.791 1.00 44.23 O ATOM 351 CB THR A 20 0.244 7.542 6.100 1.00 53.33 C ATOM 352 OG1 THR A 20 0.889 7.232 7.343 1.00 33.30 O ATOM 353 CG2 THR A 20 -0.891 6.538 5.853 1.00 74.42 C ATOM 0 H THR A 20 1.522 5.485 5.301 1.00 43.01 H new ATOM 0 HA THR A 20 0.765 7.848 4.016 1.00 34.14 H new ATOM 0 HB THR A 20 -0.189 8.541 6.149 1.00 53.33 H new ATOM 0 HG1 THR A 20 1.032 6.265 7.405 1.00 33.30 H new ATOM 0 HG21 THR A 20 -1.588 6.564 6.690 1.00 74.42 H new ATOM 0 HG22 THR A 20 -1.416 6.801 4.935 1.00 74.42 H new ATOM 0 HG23 THR A 20 -0.475 5.535 5.758 1.00 74.42 H new ATOM 361 N ASP A 21 3.401 8.112 6.053 1.00 73.31 N ATOM 362 CA ASP A 21 4.630 8.887 6.361 1.00 44.32 C ATOM 363 C ASP A 21 5.427 9.201 5.070 1.00 11.23 C ATOM 364 O ASP A 21 5.796 10.354 4.815 1.00 12.20 O ATOM 365 CB ASP A 21 5.533 8.104 7.349 1.00 13.42 C ATOM 366 CG ASP A 21 4.819 7.757 8.660 1.00 74.03 C ATOM 367 OD1 ASP A 21 4.029 6.792 8.684 1.00 23.04 O ATOM 368 OD2 ASP A 21 5.042 8.451 9.674 1.00 30.15 O ATOM 0 H ASP A 21 3.377 7.196 6.500 1.00 73.31 H new ATOM 0 HA ASP A 21 4.323 9.826 6.821 1.00 44.32 H new ATOM 0 HB2 ASP A 21 5.874 7.185 6.872 1.00 13.42 H new ATOM 0 HB3 ASP A 21 6.421 8.697 7.570 1.00 13.42 H new ATOM 373 N GLY A 22 5.665 8.148 4.256 1.00 51.21 N ATOM 374 CA GLY A 22 6.378 8.274 2.971 1.00 13.10 C ATOM 375 C GLY A 22 5.605 9.063 1.896 1.00 64.20 C ATOM 376 O GLY A 22 6.192 9.505 0.898 1.00 65.11 O ATOM 0 H GLY A 22 5.370 7.196 4.471 1.00 51.21 H new ATOM 0 HA2 GLY A 22 7.336 8.763 3.146 1.00 13.10 H new ATOM 0 HA3 GLY A 22 6.594 7.276 2.589 1.00 13.10 H new ATOM 380 N ALA A 23 4.288 9.221 2.106 1.00 70.04 N ATOM 381 CA ALA A 23 3.402 9.989 1.214 1.00 50.22 C ATOM 382 C ALA A 23 3.330 11.484 1.652 1.00 55.34 C ATOM 383 O ALA A 23 2.905 11.777 2.774 1.00 2.52 O ATOM 384 CB ALA A 23 2.017 9.353 1.221 1.00 32.32 C ATOM 0 H ALA A 23 3.803 8.816 2.907 1.00 70.04 H new ATOM 0 HA ALA A 23 3.804 9.966 0.201 1.00 50.22 H new ATOM 0 HB1 ALA A 23 1.355 9.916 0.563 1.00 32.32 H new ATOM 0 HB2 ALA A 23 2.088 8.323 0.870 1.00 32.32 H new ATOM 0 HB3 ALA A 23 1.617 9.364 2.235 1.00 32.32 H new ATOM 390 N PRO A 24 3.753 12.455 0.778 1.00 23.03 N ATOM 391 CA PRO A 24 3.789 13.903 1.135 1.00 13.21 C ATOM 392 C PRO A 24 2.377 14.564 1.296 1.00 11.15 C ATOM 393 O PRO A 24 1.748 14.942 0.306 1.00 15.02 O ATOM 394 CB PRO A 24 4.600 14.526 -0.037 1.00 45.10 C ATOM 395 CG PRO A 24 4.344 13.609 -1.195 1.00 74.33 C ATOM 396 CD PRO A 24 4.258 12.219 -0.606 1.00 34.22 C ATOM 0 HA PRO A 24 4.234 14.067 2.116 1.00 13.21 H new ATOM 0 HB2 PRO A 24 4.269 15.542 -0.254 1.00 45.10 H new ATOM 0 HB3 PRO A 24 5.663 14.580 0.200 1.00 45.10 H new ATOM 0 HG2 PRO A 24 3.420 13.875 -1.708 1.00 74.33 H new ATOM 0 HG3 PRO A 24 5.146 13.674 -1.930 1.00 74.33 H new ATOM 0 HD2 PRO A 24 3.581 11.583 -1.177 1.00 34.22 H new ATOM 0 HD3 PRO A 24 5.230 11.725 -0.599 1.00 34.22 H new ATOM 404 N ASP A 25 1.884 14.607 2.563 1.00 60.22 N ATOM 405 CA ASP A 25 0.719 15.429 3.015 1.00 1.23 C ATOM 406 C ASP A 25 -0.608 15.130 2.255 1.00 64.35 C ATOM 407 O ASP A 25 -1.473 14.400 2.750 1.00 14.10 O ATOM 408 CB ASP A 25 1.068 16.948 2.956 1.00 11.01 C ATOM 409 CG ASP A 25 2.279 17.313 3.829 1.00 64.45 C ATOM 410 OD1 ASP A 25 3.428 17.239 3.339 1.00 15.22 O ATOM 411 OD2 ASP A 25 2.087 17.647 5.018 1.00 40.24 O ATOM 0 H ASP A 25 2.293 14.059 3.320 1.00 60.22 H new ATOM 0 HA ASP A 25 0.530 15.139 4.049 1.00 1.23 H new ATOM 0 HB2 ASP A 25 1.272 17.230 1.923 1.00 11.01 H new ATOM 0 HB3 ASP A 25 0.204 17.528 3.280 1.00 11.01 H new ATOM 416 N GLU A 26 -0.752 15.706 1.052 1.00 71.12 N ATOM 417 CA GLU A 26 -1.933 15.508 0.180 1.00 65.13 C ATOM 418 C GLU A 26 -2.032 14.044 -0.321 1.00 20.30 C ATOM 419 O GLU A 26 -3.126 13.532 -0.582 1.00 30.44 O ATOM 420 CB GLU A 26 -1.873 16.503 -1.008 1.00 32.02 C ATOM 421 CG GLU A 26 -0.564 16.448 -1.827 1.00 24.21 C ATOM 422 CD GLU A 26 -0.553 17.419 -3.016 1.00 44.45 C ATOM 423 OE1 GLU A 26 -1.164 17.091 -4.059 1.00 33.34 O ATOM 424 OE2 GLU A 26 0.047 18.513 -2.913 1.00 1.34 O ATOM 0 H GLU A 26 -0.051 16.327 0.649 1.00 71.12 H new ATOM 0 HA GLU A 26 -2.833 15.705 0.763 1.00 65.13 H new ATOM 0 HB2 GLU A 26 -2.712 16.304 -1.675 1.00 32.02 H new ATOM 0 HB3 GLU A 26 -2.004 17.515 -0.624 1.00 32.02 H new ATOM 0 HG2 GLU A 26 0.277 16.677 -1.172 1.00 24.21 H new ATOM 0 HG3 GLU A 26 -0.415 15.433 -2.194 1.00 24.21 H new ATOM 431 N ALA A 27 -0.867 13.381 -0.438 1.00 51.30 N ATOM 432 CA ALA A 27 -0.779 11.941 -0.742 1.00 22.51 C ATOM 433 C ALA A 27 -0.965 11.079 0.535 1.00 64.31 C ATOM 434 O ALA A 27 -1.392 9.925 0.446 1.00 33.41 O ATOM 435 CB ALA A 27 0.558 11.635 -1.429 1.00 12.30 C ATOM 0 H ALA A 27 0.042 13.830 -0.324 1.00 51.30 H new ATOM 0 HA ALA A 27 -1.590 11.681 -1.423 1.00 22.51 H new ATOM 0 HB1 ALA A 27 0.617 10.570 -1.651 1.00 12.30 H new ATOM 0 HB2 ALA A 27 0.629 12.204 -2.356 1.00 12.30 H new ATOM 0 HB3 ALA A 27 1.379 11.914 -0.768 1.00 12.30 H new ATOM 441 N ARG A 28 -0.620 11.649 1.719 1.00 13.14 N ATOM 442 CA ARG A 28 -0.801 10.978 3.036 1.00 54.14 C ATOM 443 C ARG A 28 -2.290 10.672 3.291 1.00 75.11 C ATOM 444 O ARG A 28 -2.670 9.521 3.491 1.00 35.25 O ATOM 445 CB ARG A 28 -0.249 11.866 4.193 1.00 5.23 C ATOM 446 CG ARG A 28 -0.373 11.237 5.600 1.00 11.12 C ATOM 447 CD ARG A 28 -0.005 12.197 6.747 1.00 24.52 C ATOM 448 NE ARG A 28 -1.002 13.274 6.914 1.00 13.35 N ATOM 449 CZ ARG A 28 -1.796 13.426 7.959 1.00 13.34 C ATOM 450 NH1 ARG A 28 -1.797 12.574 8.936 1.00 74.00 N ATOM 451 NH2 ARG A 28 -2.618 14.422 7.998 1.00 60.24 N ATOM 0 H ARG A 28 -0.211 12.581 1.789 1.00 13.14 H new ATOM 0 HA ARG A 28 -0.242 10.042 3.010 1.00 54.14 H new ATOM 0 HB2 ARG A 28 0.801 12.084 3.998 1.00 5.23 H new ATOM 0 HB3 ARG A 28 -0.778 12.819 4.187 1.00 5.23 H new ATOM 0 HG2 ARG A 28 -1.396 10.890 5.743 1.00 11.12 H new ATOM 0 HG3 ARG A 28 0.271 10.359 5.653 1.00 11.12 H new ATOM 0 HD2 ARG A 28 0.079 11.634 7.677 1.00 24.52 H new ATOM 0 HD3 ARG A 28 0.973 12.637 6.551 1.00 24.52 H new ATOM 0 HE ARG A 28 -1.084 13.957 6.161 1.00 13.35 H new ATOM 0 HH11 ARG A 28 -1.176 11.765 8.908 1.00 74.00 H new ATOM 0 HH12 ARG A 28 -2.419 12.712 9.733 1.00 74.00 H new ATOM 0 HH21 ARG A 28 -2.652 15.086 7.225 1.00 60.24 H new ATOM 0 HH22 ARG A 28 -3.233 14.544 8.802 1.00 60.24 H new ATOM 465 N GLU A 29 -3.112 11.734 3.257 1.00 14.33 N ATOM 466 CA GLU A 29 -4.574 11.649 3.480 1.00 12.40 C ATOM 467 C GLU A 29 -5.284 10.775 2.409 1.00 14.13 C ATOM 468 O GLU A 29 -6.296 10.130 2.698 1.00 60.13 O ATOM 469 CB GLU A 29 -5.179 13.075 3.518 1.00 1.43 C ATOM 470 CG GLU A 29 -4.912 13.909 2.251 1.00 61.20 C ATOM 471 CD GLU A 29 -5.560 15.298 2.283 1.00 72.34 C ATOM 472 OE1 GLU A 29 -4.939 16.247 2.797 1.00 45.55 O ATOM 473 OE2 GLU A 29 -6.704 15.439 1.809 1.00 43.23 O ATOM 0 H GLU A 29 -2.784 12.682 3.074 1.00 14.33 H new ATOM 0 HA GLU A 29 -4.738 11.160 4.440 1.00 12.40 H new ATOM 0 HB2 GLU A 29 -6.256 12.997 3.667 1.00 1.43 H new ATOM 0 HB3 GLU A 29 -4.775 13.606 4.380 1.00 1.43 H new ATOM 0 HG2 GLU A 29 -3.836 14.022 2.121 1.00 61.20 H new ATOM 0 HG3 GLU A 29 -5.283 13.364 1.383 1.00 61.20 H new ATOM 480 N ARG A 30 -4.728 10.770 1.179 1.00 21.10 N ATOM 481 CA ARG A 30 -5.168 9.871 0.089 1.00 64.13 C ATOM 482 C ARG A 30 -5.039 8.385 0.517 1.00 73.34 C ATOM 483 O ARG A 30 -5.996 7.603 0.412 1.00 21.23 O ATOM 484 CB ARG A 30 -4.327 10.149 -1.187 1.00 72.51 C ATOM 485 CG ARG A 30 -4.587 9.186 -2.368 1.00 22.31 C ATOM 486 CD ARG A 30 -3.672 9.458 -3.574 1.00 1.02 C ATOM 487 NE ARG A 30 -3.901 10.795 -4.151 1.00 1.24 N ATOM 488 CZ ARG A 30 -2.965 11.626 -4.559 1.00 64.43 C ATOM 489 NH1 ARG A 30 -1.704 11.359 -4.411 1.00 52.44 N ATOM 490 NH2 ARG A 30 -3.311 12.738 -5.108 1.00 43.33 N ATOM 0 H ARG A 30 -3.962 11.388 0.913 1.00 21.10 H new ATOM 0 HA ARG A 30 -6.218 10.066 -0.128 1.00 64.13 H new ATOM 0 HB2 ARG A 30 -4.526 11.168 -1.519 1.00 72.51 H new ATOM 0 HB3 ARG A 30 -3.270 10.100 -0.924 1.00 72.51 H new ATOM 0 HG2 ARG A 30 -4.441 8.159 -2.032 1.00 22.31 H new ATOM 0 HG3 ARG A 30 -5.628 9.275 -2.680 1.00 22.31 H new ATOM 0 HD2 ARG A 30 -2.630 9.370 -3.266 1.00 1.02 H new ATOM 0 HD3 ARG A 30 -3.844 8.699 -4.338 1.00 1.02 H new ATOM 0 HE ARG A 30 -4.869 11.103 -4.242 1.00 1.24 H new ATOM 0 HH11 ARG A 30 -1.416 10.486 -3.969 1.00 52.44 H new ATOM 0 HH12 ARG A 30 -1.001 12.022 -4.737 1.00 52.44 H new ATOM 0 HH21 ARG A 30 -4.299 12.965 -5.222 1.00 43.33 H new ATOM 0 HH22 ARG A 30 -2.597 13.392 -5.429 1.00 43.33 H new ATOM 504 N ILE A 31 -3.843 8.026 1.024 1.00 71.54 N ATOM 505 CA ILE A 31 -3.558 6.664 1.517 1.00 12.23 C ATOM 506 C ILE A 31 -4.405 6.311 2.761 1.00 32.40 C ATOM 507 O ILE A 31 -4.956 5.228 2.817 1.00 32.52 O ATOM 508 CB ILE A 31 -2.022 6.467 1.820 1.00 32.12 C ATOM 509 CG1 ILE A 31 -1.202 6.522 0.498 1.00 33.51 C ATOM 510 CG2 ILE A 31 -1.752 5.147 2.594 1.00 42.30 C ATOM 511 CD1 ILE A 31 0.291 6.303 0.647 1.00 11.44 C ATOM 0 H ILE A 31 -3.053 8.666 1.103 1.00 71.54 H new ATOM 0 HA ILE A 31 -3.838 5.978 0.718 1.00 12.23 H new ATOM 0 HB ILE A 31 -1.698 7.285 2.464 1.00 32.12 H new ATOM 0 HG12 ILE A 31 -1.596 5.769 -0.185 1.00 33.51 H new ATOM 0 HG13 ILE A 31 -1.364 7.493 0.030 1.00 33.51 H new ATOM 0 HG21 ILE A 31 -0.683 5.048 2.783 1.00 42.30 H new ATOM 0 HG22 ILE A 31 -2.288 5.165 3.543 1.00 42.30 H new ATOM 0 HG23 ILE A 31 -2.095 4.300 2.000 1.00 42.30 H new ATOM 0 HD11 ILE A 31 0.767 6.361 -0.332 1.00 11.44 H new ATOM 0 HD12 ILE A 31 0.708 7.070 1.299 1.00 11.44 H new ATOM 0 HD13 ILE A 31 0.473 5.320 1.081 1.00 11.44 H new ATOM 523 N GLU A 32 -4.515 7.238 3.734 1.00 42.12 N ATOM 524 CA GLU A 32 -5.268 7.008 5.005 1.00 25.53 C ATOM 525 C GLU A 32 -6.739 6.590 4.744 1.00 0.32 C ATOM 526 O GLU A 32 -7.294 5.735 5.449 1.00 43.04 O ATOM 527 CB GLU A 32 -5.230 8.284 5.889 1.00 45.25 C ATOM 528 CG GLU A 32 -3.834 8.647 6.438 1.00 15.13 C ATOM 529 CD GLU A 32 -3.840 9.921 7.296 1.00 11.41 C ATOM 530 OE1 GLU A 32 -3.721 11.027 6.737 1.00 3.22 O ATOM 531 OE2 GLU A 32 -3.986 9.818 8.534 1.00 12.22 O ATOM 0 H GLU A 32 -4.091 8.164 3.672 1.00 42.12 H new ATOM 0 HA GLU A 32 -4.779 6.186 5.528 1.00 25.53 H new ATOM 0 HB2 GLU A 32 -5.606 9.125 5.306 1.00 45.25 H new ATOM 0 HB3 GLU A 32 -5.912 8.148 6.729 1.00 45.25 H new ATOM 0 HG2 GLU A 32 -3.456 7.816 7.034 1.00 15.13 H new ATOM 0 HG3 GLU A 32 -3.145 8.780 5.604 1.00 15.13 H new ATOM 538 N LYS A 33 -7.345 7.205 3.715 1.00 43.13 N ATOM 539 CA LYS A 33 -8.734 6.922 3.309 1.00 34.53 C ATOM 540 C LYS A 33 -8.843 5.549 2.589 1.00 53.13 C ATOM 541 O LYS A 33 -9.642 4.697 2.979 1.00 1.43 O ATOM 542 CB LYS A 33 -9.252 8.067 2.405 1.00 43.14 C ATOM 543 CG LYS A 33 -10.739 7.947 2.018 1.00 23.21 C ATOM 544 CD LYS A 33 -11.229 9.138 1.173 1.00 64.12 C ATOM 545 CE LYS A 33 -12.713 9.023 0.789 1.00 41.32 C ATOM 546 NZ LYS A 33 -13.183 10.215 0.039 1.00 15.15 N ATOM 0 H LYS A 33 -6.887 7.912 3.140 1.00 43.13 H new ATOM 0 HA LYS A 33 -9.356 6.866 4.202 1.00 34.53 H new ATOM 0 HB2 LYS A 33 -9.098 9.017 2.917 1.00 43.14 H new ATOM 0 HB3 LYS A 33 -8.653 8.095 1.495 1.00 43.14 H new ATOM 0 HG2 LYS A 33 -10.892 7.023 1.460 1.00 23.21 H new ATOM 0 HG3 LYS A 33 -11.342 7.876 2.923 1.00 23.21 H new ATOM 0 HD2 LYS A 33 -11.073 10.062 1.730 1.00 64.12 H new ATOM 0 HD3 LYS A 33 -10.628 9.207 0.266 1.00 64.12 H new ATOM 0 HE2 LYS A 33 -12.863 8.130 0.183 1.00 41.32 H new ATOM 0 HE3 LYS A 33 -13.313 8.901 1.691 1.00 41.32 H new ATOM 0 HZ1 LYS A 33 -14.188 10.100 -0.202 1.00 15.15 H new ATOM 0 HZ2 LYS A 33 -13.063 11.065 0.627 1.00 15.15 H new ATOM 0 HZ3 LYS A 33 -12.627 10.317 -0.834 1.00 15.15 H new ATOM 560 N LEU A 34 -8.009 5.352 1.545 1.00 63.43 N ATOM 561 CA LEU A 34 -7.997 4.105 0.726 1.00 32.30 C ATOM 562 C LEU A 34 -7.627 2.848 1.567 1.00 73.54 C ATOM 563 O LEU A 34 -8.200 1.768 1.375 1.00 45.25 O ATOM 564 CB LEU A 34 -7.007 4.263 -0.463 1.00 64.11 C ATOM 565 CG LEU A 34 -6.881 3.035 -1.431 1.00 55.20 C ATOM 566 CD1 LEU A 34 -8.217 2.726 -2.152 1.00 33.10 C ATOM 567 CD2 LEU A 34 -5.735 3.240 -2.448 1.00 42.24 C ATOM 0 H LEU A 34 -7.325 6.045 1.241 1.00 63.43 H new ATOM 0 HA LEU A 34 -9.008 3.953 0.347 1.00 32.30 H new ATOM 0 HB2 LEU A 34 -7.312 5.130 -1.049 1.00 64.11 H new ATOM 0 HB3 LEU A 34 -6.019 4.482 -0.059 1.00 64.11 H new ATOM 0 HG LEU A 34 -6.637 2.168 -0.818 1.00 55.20 H new ATOM 0 HD11 LEU A 34 -8.084 1.869 -2.812 1.00 33.10 H new ATOM 0 HD12 LEU A 34 -8.985 2.499 -1.413 1.00 33.10 H new ATOM 0 HD13 LEU A 34 -8.522 3.592 -2.739 1.00 33.10 H new ATOM 0 HD21 LEU A 34 -5.672 2.373 -3.105 1.00 42.24 H new ATOM 0 HD22 LEU A 34 -5.931 4.132 -3.042 1.00 42.24 H new ATOM 0 HD23 LEU A 34 -4.792 3.360 -1.914 1.00 42.24 H new ATOM 579 N ALA A 35 -6.678 3.026 2.497 1.00 71.00 N ATOM 580 CA ALA A 35 -6.172 1.956 3.393 1.00 51.55 C ATOM 581 C ALA A 35 -7.286 1.404 4.297 1.00 10.41 C ATOM 582 O ALA A 35 -7.350 0.200 4.549 1.00 22.22 O ATOM 583 CB ALA A 35 -5.013 2.487 4.257 1.00 12.25 C ATOM 0 H ALA A 35 -6.229 3.928 2.657 1.00 71.00 H new ATOM 0 HA ALA A 35 -5.811 1.142 2.764 1.00 51.55 H new ATOM 0 HB1 ALA A 35 -4.652 1.692 4.909 1.00 12.25 H new ATOM 0 HB2 ALA A 35 -4.202 2.823 3.611 1.00 12.25 H new ATOM 0 HB3 ALA A 35 -5.364 3.322 4.863 1.00 12.25 H new ATOM 589 N LYS A 36 -8.154 2.317 4.764 1.00 23.42 N ATOM 590 CA LYS A 36 -9.330 1.981 5.592 1.00 64.25 C ATOM 591 C LYS A 36 -10.292 1.034 4.826 1.00 65.11 C ATOM 592 O LYS A 36 -10.756 0.032 5.375 1.00 41.43 O ATOM 593 CB LYS A 36 -10.049 3.290 6.017 1.00 63.23 C ATOM 594 CG LYS A 36 -11.192 3.103 7.043 1.00 52.41 C ATOM 595 CD LYS A 36 -11.751 4.447 7.558 1.00 71.34 C ATOM 596 CE LYS A 36 -12.788 4.271 8.682 1.00 3.04 C ATOM 597 NZ LYS A 36 -13.305 5.574 9.172 1.00 74.55 N ATOM 0 H LYS A 36 -8.061 3.316 4.578 1.00 23.42 H new ATOM 0 HA LYS A 36 -9.001 1.453 6.487 1.00 64.25 H new ATOM 0 HB2 LYS A 36 -9.311 3.972 6.438 1.00 63.23 H new ATOM 0 HB3 LYS A 36 -10.455 3.770 5.126 1.00 63.23 H new ATOM 0 HG2 LYS A 36 -11.998 2.530 6.584 1.00 52.41 H new ATOM 0 HG3 LYS A 36 -10.826 2.518 7.887 1.00 52.41 H new ATOM 0 HD2 LYS A 36 -10.928 5.062 7.922 1.00 71.34 H new ATOM 0 HD3 LYS A 36 -12.209 4.986 6.729 1.00 71.34 H new ATOM 0 HE2 LYS A 36 -13.618 3.666 8.318 1.00 3.04 H new ATOM 0 HE3 LYS A 36 -12.336 3.726 9.510 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 -14.000 5.410 9.928 1.00 74.55 H new ATOM 0 HZ2 LYS A 36 -12.517 6.142 9.544 1.00 74.55 H new ATOM 0 HZ3 LYS A 36 -13.760 6.084 8.388 1.00 74.55 H new ATOM 611 N ASP A 37 -10.548 1.363 3.543 1.00 61.20 N ATOM 612 CA ASP A 37 -11.328 0.506 2.612 1.00 14.12 C ATOM 613 C ASP A 37 -10.687 -0.895 2.432 1.00 2.22 C ATOM 614 O ASP A 37 -11.399 -1.904 2.382 1.00 74.30 O ATOM 615 CB ASP A 37 -11.457 1.207 1.234 1.00 41.23 C ATOM 616 CG ASP A 37 -12.363 2.440 1.266 1.00 13.33 C ATOM 617 OD1 ASP A 37 -12.047 3.404 1.986 1.00 44.11 O ATOM 618 OD2 ASP A 37 -13.395 2.460 0.560 1.00 11.22 O ATOM 0 H ASP A 37 -10.221 2.231 3.118 1.00 61.20 H new ATOM 0 HA ASP A 37 -12.316 0.361 3.049 1.00 14.12 H new ATOM 0 HB2 ASP A 37 -10.466 1.502 0.890 1.00 41.23 H new ATOM 0 HB3 ASP A 37 -11.849 0.495 0.507 1.00 41.23 H new ATOM 623 N VAL A 38 -9.335 -0.938 2.323 1.00 73.12 N ATOM 624 CA VAL A 38 -8.580 -2.216 2.198 1.00 30.32 C ATOM 625 C VAL A 38 -8.784 -3.093 3.458 1.00 44.53 C ATOM 626 O VAL A 38 -8.919 -4.308 3.346 1.00 51.42 O ATOM 627 CB VAL A 38 -7.028 -1.999 1.953 1.00 0.13 C ATOM 628 CG1 VAL A 38 -6.275 -3.351 1.779 1.00 63.13 C ATOM 629 CG2 VAL A 38 -6.762 -1.074 0.740 1.00 73.02 C ATOM 0 H VAL A 38 -8.745 -0.106 2.319 1.00 73.12 H new ATOM 0 HA VAL A 38 -8.982 -2.722 1.320 1.00 30.32 H new ATOM 0 HB VAL A 38 -6.639 -1.508 2.845 1.00 0.13 H new ATOM 0 HG11 VAL A 38 -5.215 -3.158 1.613 1.00 63.13 H new ATOM 0 HG12 VAL A 38 -6.398 -3.954 2.678 1.00 63.13 H new ATOM 0 HG13 VAL A 38 -6.684 -3.888 0.923 1.00 63.13 H new ATOM 0 HG21 VAL A 38 -5.687 -0.950 0.605 1.00 73.02 H new ATOM 0 HG22 VAL A 38 -7.191 -1.519 -0.158 1.00 73.02 H new ATOM 0 HG23 VAL A 38 -7.220 -0.101 0.917 1.00 73.02 H new ATOM 639 N LYS A 39 -8.823 -2.450 4.645 1.00 71.31 N ATOM 640 CA LYS A 39 -9.055 -3.140 5.941 1.00 10.12 C ATOM 641 C LYS A 39 -10.460 -3.786 6.015 1.00 24.44 C ATOM 642 O LYS A 39 -10.610 -4.885 6.551 1.00 64.33 O ATOM 643 CB LYS A 39 -8.858 -2.162 7.132 1.00 5.43 C ATOM 644 CG LYS A 39 -7.440 -1.570 7.259 1.00 71.43 C ATOM 645 CD LYS A 39 -6.350 -2.654 7.389 1.00 3.01 C ATOM 646 CE LYS A 39 -4.955 -2.063 7.618 1.00 73.22 C ATOM 647 NZ LYS A 39 -4.886 -1.306 8.895 1.00 21.54 N ATOM 0 H LYS A 39 -8.696 -1.442 4.736 1.00 71.31 H new ATOM 0 HA LYS A 39 -8.317 -3.939 6.009 1.00 10.12 H new ATOM 0 HB2 LYS A 39 -9.570 -1.343 7.032 1.00 5.43 H new ATOM 0 HB3 LYS A 39 -9.102 -2.685 8.057 1.00 5.43 H new ATOM 0 HG2 LYS A 39 -7.229 -0.952 6.386 1.00 71.43 H new ATOM 0 HG3 LYS A 39 -7.401 -0.915 8.130 1.00 71.43 H new ATOM 0 HD2 LYS A 39 -6.600 -3.318 8.217 1.00 3.01 H new ATOM 0 HD3 LYS A 39 -6.339 -3.263 6.485 1.00 3.01 H new ATOM 0 HE2 LYS A 39 -4.217 -2.865 7.629 1.00 73.22 H new ATOM 0 HE3 LYS A 39 -4.698 -1.404 6.789 1.00 73.22 H new ATOM 0 HZ1 LYS A 39 -3.891 -1.124 9.137 1.00 21.54 H new ATOM 0 HZ2 LYS A 39 -5.388 -0.401 8.790 1.00 21.54 H new ATOM 0 HZ3 LYS A 39 -5.330 -1.863 9.653 1.00 21.54 H new ATOM 661 N ASP A 40 -11.478 -3.095 5.472 1.00 52.11 N ATOM 662 CA ASP A 40 -12.857 -3.637 5.397 1.00 72.44 C ATOM 663 C ASP A 40 -12.922 -4.898 4.498 1.00 12.24 C ATOM 664 O ASP A 40 -13.648 -5.842 4.803 1.00 24.33 O ATOM 665 CB ASP A 40 -13.843 -2.557 4.889 1.00 35.12 C ATOM 666 CG ASP A 40 -13.984 -1.375 5.867 1.00 24.21 C ATOM 667 OD1 ASP A 40 -14.454 -1.592 7.006 1.00 54.45 O ATOM 668 OD2 ASP A 40 -13.615 -0.233 5.516 1.00 14.41 O ATOM 0 H ASP A 40 -11.377 -2.160 5.077 1.00 52.11 H new ATOM 0 HA ASP A 40 -13.152 -3.930 6.405 1.00 72.44 H new ATOM 0 HB2 ASP A 40 -13.502 -2.185 3.923 1.00 35.12 H new ATOM 0 HB3 ASP A 40 -14.821 -3.010 4.729 1.00 35.12 H new ATOM 673 N GLU A 41 -12.141 -4.893 3.404 1.00 11.32 N ATOM 674 CA GLU A 41 -12.030 -6.047 2.475 1.00 61.04 C ATOM 675 C GLU A 41 -11.165 -7.192 3.069 1.00 4.02 C ATOM 676 O GLU A 41 -11.371 -8.369 2.749 1.00 42.01 O ATOM 677 CB GLU A 41 -11.466 -5.560 1.118 1.00 1.11 C ATOM 678 CG GLU A 41 -12.323 -4.479 0.425 1.00 51.35 C ATOM 679 CD GLU A 41 -13.742 -4.953 0.073 1.00 20.31 C ATOM 680 OE1 GLU A 41 -13.916 -5.592 -0.988 1.00 65.15 O ATOM 681 OE2 GLU A 41 -14.685 -4.682 0.844 1.00 1.42 O ATOM 0 H GLU A 41 -11.567 -4.094 3.133 1.00 11.32 H new ATOM 0 HA GLU A 41 -13.025 -6.463 2.321 1.00 61.04 H new ATOM 0 HB2 GLU A 41 -10.462 -5.165 1.276 1.00 1.11 H new ATOM 0 HB3 GLU A 41 -11.371 -6.416 0.449 1.00 1.11 H new ATOM 0 HG2 GLU A 41 -12.391 -3.608 1.076 1.00 51.35 H new ATOM 0 HG3 GLU A 41 -11.820 -4.157 -0.487 1.00 51.35 H new ATOM 688 N LEU A 42 -10.190 -6.823 3.927 1.00 30.41 N ATOM 689 CA LEU A 42 -9.421 -7.796 4.755 1.00 1.30 C ATOM 690 C LEU A 42 -10.339 -8.509 5.783 1.00 22.54 C ATOM 691 O LEU A 42 -10.091 -9.664 6.149 1.00 41.11 O ATOM 692 CB LEU A 42 -8.239 -7.097 5.492 1.00 31.41 C ATOM 693 CG LEU A 42 -7.020 -6.683 4.609 1.00 4.22 C ATOM 694 CD1 LEU A 42 -6.038 -5.789 5.391 1.00 25.05 C ATOM 695 CD2 LEU A 42 -6.284 -7.923 4.051 1.00 43.03 C ATOM 0 H LEU A 42 -9.910 -5.853 4.070 1.00 30.41 H new ATOM 0 HA LEU A 42 -9.013 -8.546 4.077 1.00 1.30 H new ATOM 0 HB2 LEU A 42 -8.623 -6.204 5.985 1.00 31.41 H new ATOM 0 HB3 LEU A 42 -7.882 -7.765 6.276 1.00 31.41 H new ATOM 0 HG LEU A 42 -7.412 -6.109 3.769 1.00 4.22 H new ATOM 0 HD11 LEU A 42 -5.201 -5.519 4.748 1.00 25.05 H new ATOM 0 HD12 LEU A 42 -6.551 -4.885 5.718 1.00 25.05 H new ATOM 0 HD13 LEU A 42 -5.667 -6.331 6.261 1.00 25.05 H new ATOM 0 HD21 LEU A 42 -5.440 -7.601 3.440 1.00 43.03 H new ATOM 0 HD22 LEU A 42 -5.921 -8.534 4.878 1.00 43.03 H new ATOM 0 HD23 LEU A 42 -6.971 -8.510 3.441 1.00 43.03 H new ATOM 707 N GLU A 43 -11.383 -7.796 6.251 1.00 12.40 N ATOM 708 CA GLU A 43 -12.419 -8.365 7.141 1.00 64.35 C ATOM 709 C GLU A 43 -13.381 -9.286 6.343 1.00 42.52 C ATOM 710 O GLU A 43 -13.622 -10.436 6.737 1.00 74.51 O ATOM 711 CB GLU A 43 -13.216 -7.231 7.843 1.00 15.52 C ATOM 712 CG GLU A 43 -14.320 -7.735 8.795 1.00 4.20 C ATOM 713 CD GLU A 43 -15.128 -6.609 9.457 1.00 31.25 C ATOM 714 OE1 GLU A 43 -16.050 -6.068 8.811 1.00 71.43 O ATOM 715 OE2 GLU A 43 -14.846 -6.261 10.621 1.00 11.11 O ATOM 0 H GLU A 43 -11.533 -6.813 6.025 1.00 12.40 H new ATOM 0 HA GLU A 43 -11.922 -8.964 7.904 1.00 64.35 H new ATOM 0 HB2 GLU A 43 -12.521 -6.608 8.407 1.00 15.52 H new ATOM 0 HB3 GLU A 43 -13.669 -6.595 7.082 1.00 15.52 H new ATOM 0 HG2 GLU A 43 -15.001 -8.379 8.238 1.00 4.20 H new ATOM 0 HG3 GLU A 43 -13.864 -8.348 9.572 1.00 4.20 H new ATOM 722 N GLU A 44 -13.907 -8.765 5.215 1.00 74.24 N ATOM 723 CA GLU A 44 -14.832 -9.504 4.322 1.00 34.51 C ATOM 724 C GLU A 44 -15.016 -8.720 2.989 1.00 22.33 C ATOM 725 O GLU A 44 -15.201 -7.500 3.004 1.00 60.53 O ATOM 726 CB GLU A 44 -16.222 -9.745 5.028 1.00 11.04 C ATOM 727 CG GLU A 44 -16.909 -11.100 4.710 1.00 40.31 C ATOM 728 CD GLU A 44 -17.252 -11.302 3.223 1.00 74.02 C ATOM 729 OE1 GLU A 44 -18.248 -10.720 2.761 1.00 70.52 O ATOM 730 OE2 GLU A 44 -16.525 -12.031 2.510 1.00 20.14 O ATOM 0 H GLU A 44 -13.704 -7.818 4.895 1.00 74.24 H new ATOM 0 HA GLU A 44 -14.400 -10.480 4.099 1.00 34.51 H new ATOM 0 HB2 GLU A 44 -16.079 -9.675 6.106 1.00 11.04 H new ATOM 0 HB3 GLU A 44 -16.899 -8.939 4.743 1.00 11.04 H new ATOM 0 HG2 GLU A 44 -16.256 -11.910 5.034 1.00 40.31 H new ATOM 0 HG3 GLU A 44 -17.825 -11.176 5.296 1.00 40.31 H new ATOM 737 N GLY A 45 -15.000 -9.441 1.850 1.00 22.41 N ATOM 738 CA GLY A 45 -15.111 -8.829 0.508 1.00 74.22 C ATOM 739 C GLY A 45 -14.088 -9.420 -0.468 1.00 12.43 C ATOM 740 O GLY A 45 -14.141 -10.616 -0.772 1.00 40.12 O ATOM 0 H GLY A 45 -14.910 -10.457 1.832 1.00 22.41 H new ATOM 0 HA2 GLY A 45 -16.117 -8.984 0.119 1.00 74.22 H new ATOM 0 HA3 GLY A 45 -14.961 -7.752 0.585 1.00 74.22 H new ATOM 744 N ASP A 46 -13.165 -8.584 -0.975 1.00 54.23 N ATOM 745 CA ASP A 46 -11.991 -9.051 -1.739 1.00 71.00 C ATOM 746 C ASP A 46 -10.816 -8.071 -1.555 1.00 4.30 C ATOM 747 O ASP A 46 -10.779 -6.996 -2.163 1.00 62.42 O ATOM 748 CB ASP A 46 -12.314 -9.254 -3.245 1.00 11.31 C ATOM 749 CG ASP A 46 -11.127 -9.870 -4.020 1.00 34.44 C ATOM 750 OD1 ASP A 46 -10.810 -11.055 -3.790 1.00 65.41 O ATOM 751 OD2 ASP A 46 -10.487 -9.172 -4.830 1.00 14.35 O ATOM 0 H ASP A 46 -13.210 -7.571 -0.868 1.00 54.23 H new ATOM 0 HA ASP A 46 -11.705 -10.026 -1.344 1.00 71.00 H new ATOM 0 HB2 ASP A 46 -13.185 -9.902 -3.344 1.00 11.31 H new ATOM 0 HB3 ASP A 46 -12.578 -8.295 -3.691 1.00 11.31 H new ATOM 756 N ALA A 47 -9.874 -8.455 -0.683 1.00 12.42 N ATOM 757 CA ALA A 47 -8.667 -7.659 -0.404 1.00 1.41 C ATOM 758 C ALA A 47 -7.718 -7.617 -1.618 1.00 51.53 C ATOM 759 O ALA A 47 -7.146 -6.583 -1.892 1.00 0.14 O ATOM 760 CB ALA A 47 -7.940 -8.214 0.828 1.00 32.44 C ATOM 0 H ALA A 47 -9.925 -9.324 -0.151 1.00 12.42 H new ATOM 0 HA ALA A 47 -8.982 -6.636 -0.200 1.00 1.41 H new ATOM 0 HB1 ALA A 47 -7.049 -7.617 1.024 1.00 32.44 H new ATOM 0 HB2 ALA A 47 -8.603 -8.171 1.692 1.00 32.44 H new ATOM 0 HB3 ALA A 47 -7.650 -9.249 0.644 1.00 32.44 H new ATOM 766 N LYS A 48 -7.607 -8.743 -2.353 1.00 65.22 N ATOM 767 CA LYS A 48 -6.626 -8.923 -3.462 1.00 50.25 C ATOM 768 C LYS A 48 -6.702 -7.787 -4.515 1.00 3.13 C ATOM 769 O LYS A 48 -5.675 -7.218 -4.896 1.00 51.21 O ATOM 770 CB LYS A 48 -6.851 -10.289 -4.153 1.00 31.43 C ATOM 771 CG LYS A 48 -5.771 -10.664 -5.201 1.00 63.10 C ATOM 772 CD LYS A 48 -6.136 -11.922 -6.022 1.00 12.53 C ATOM 773 CE LYS A 48 -7.372 -11.708 -6.914 1.00 23.34 C ATOM 774 NZ LYS A 48 -7.731 -12.941 -7.658 1.00 14.04 N ATOM 0 H LYS A 48 -8.195 -9.562 -2.199 1.00 65.22 H new ATOM 0 HA LYS A 48 -5.632 -8.888 -3.016 1.00 50.25 H new ATOM 0 HB2 LYS A 48 -6.885 -11.067 -3.390 1.00 31.43 H new ATOM 0 HB3 LYS A 48 -7.825 -10.279 -4.641 1.00 31.43 H new ATOM 0 HG2 LYS A 48 -5.624 -9.824 -5.880 1.00 63.10 H new ATOM 0 HG3 LYS A 48 -4.822 -10.832 -4.692 1.00 63.10 H new ATOM 0 HD2 LYS A 48 -5.287 -12.204 -6.645 1.00 12.53 H new ATOM 0 HD3 LYS A 48 -6.322 -12.754 -5.342 1.00 12.53 H new ATOM 0 HE2 LYS A 48 -8.216 -11.396 -6.298 1.00 23.34 H new ATOM 0 HE3 LYS A 48 -7.176 -10.901 -7.620 1.00 23.34 H new ATOM 0 HZ1 LYS A 48 -8.568 -12.759 -8.248 1.00 14.04 H new ATOM 0 HZ2 LYS A 48 -6.935 -13.225 -8.264 1.00 14.04 H new ATOM 0 HZ3 LYS A 48 -7.942 -13.704 -6.984 1.00 14.04 H new ATOM 788 N ASN A 49 -7.937 -7.479 -4.967 1.00 4.41 N ATOM 789 CA ASN A 49 -8.227 -6.319 -5.852 1.00 71.21 C ATOM 790 C ASN A 49 -7.648 -5.010 -5.263 1.00 41.05 C ATOM 791 O ASN A 49 -6.947 -4.272 -5.941 1.00 12.42 O ATOM 792 CB ASN A 49 -9.768 -6.167 -6.046 1.00 55.13 C ATOM 793 CG ASN A 49 -10.194 -4.939 -6.876 1.00 31.03 C ATOM 794 OD1 ASN A 49 -9.509 -4.526 -7.808 1.00 41.33 O ATOM 795 ND2 ASN A 49 -11.306 -4.321 -6.521 1.00 22.13 N ATOM 0 H ASN A 49 -8.765 -8.026 -4.731 1.00 4.41 H new ATOM 0 HA ASN A 49 -7.753 -6.504 -6.816 1.00 71.21 H new ATOM 0 HB2 ASN A 49 -10.150 -7.066 -6.530 1.00 55.13 H new ATOM 0 HB3 ASN A 49 -10.240 -6.107 -5.065 1.00 55.13 H new ATOM 0 HD21 ASN A 49 -11.608 -3.486 -7.024 1.00 22.13 H new ATOM 0 HD22 ASN A 49 -11.862 -4.678 -5.744 1.00 22.13 H new ATOM 802 N MET A 50 -7.938 -4.790 -3.975 1.00 13.34 N ATOM 803 CA MET A 50 -7.571 -3.564 -3.231 1.00 73.40 C ATOM 804 C MET A 50 -6.048 -3.423 -3.020 1.00 52.43 C ATOM 805 O MET A 50 -5.542 -2.312 -2.947 1.00 35.04 O ATOM 806 CB MET A 50 -8.288 -3.591 -1.865 1.00 21.32 C ATOM 807 CG MET A 50 -9.813 -3.593 -1.964 1.00 31.13 C ATOM 808 SD MET A 50 -10.475 -2.026 -2.551 1.00 34.13 S ATOM 809 CE MET A 50 -9.908 -0.925 -1.255 1.00 2.13 C ATOM 0 H MET A 50 -8.443 -5.467 -3.404 1.00 13.34 H new ATOM 0 HA MET A 50 -7.883 -2.704 -3.823 1.00 73.40 H new ATOM 0 HB2 MET A 50 -7.969 -4.477 -1.316 1.00 21.32 H new ATOM 0 HB3 MET A 50 -7.973 -2.725 -1.284 1.00 21.32 H new ATOM 0 HG2 MET A 50 -10.128 -4.390 -2.637 1.00 31.13 H new ATOM 0 HG3 MET A 50 -10.236 -3.817 -0.985 1.00 31.13 H new ATOM 0 HE1 MET A 50 -10.508 -0.015 -1.263 1.00 2.13 H new ATOM 0 HE2 MET A 50 -10.009 -1.418 -0.288 1.00 2.13 H new ATOM 0 HE3 MET A 50 -8.862 -0.672 -1.425 1.00 2.13 H new ATOM 819 N ILE A 51 -5.343 -4.559 -2.895 1.00 41.21 N ATOM 820 CA ILE A 51 -3.875 -4.584 -2.662 1.00 50.21 C ATOM 821 C ILE A 51 -3.114 -4.265 -3.976 1.00 43.00 C ATOM 822 O ILE A 51 -2.149 -3.488 -3.990 1.00 74.20 O ATOM 823 CB ILE A 51 -3.394 -5.972 -2.079 1.00 31.23 C ATOM 824 CG1 ILE A 51 -4.244 -6.386 -0.836 1.00 13.32 C ATOM 825 CG2 ILE A 51 -1.896 -5.917 -1.692 1.00 43.11 C ATOM 826 CD1 ILE A 51 -4.004 -7.806 -0.337 1.00 52.54 C ATOM 0 H ILE A 51 -5.765 -5.486 -2.951 1.00 41.21 H new ATOM 0 HA ILE A 51 -3.650 -3.818 -1.920 1.00 50.21 H new ATOM 0 HB ILE A 51 -3.531 -6.720 -2.860 1.00 31.23 H new ATOM 0 HG12 ILE A 51 -4.034 -5.691 -0.023 1.00 13.32 H new ATOM 0 HG13 ILE A 51 -5.300 -6.277 -1.084 1.00 13.32 H new ATOM 0 HG21 ILE A 51 -1.588 -6.883 -1.293 1.00 43.11 H new ATOM 0 HG22 ILE A 51 -1.301 -5.682 -2.574 1.00 43.11 H new ATOM 0 HG23 ILE A 51 -1.744 -5.147 -0.936 1.00 43.11 H new ATOM 0 HD11 ILE A 51 -4.639 -8.000 0.528 1.00 52.54 H new ATOM 0 HD12 ILE A 51 -4.243 -8.515 -1.129 1.00 52.54 H new ATOM 0 HD13 ILE A 51 -2.958 -7.920 -0.052 1.00 52.54 H new ATOM 838 N GLU A 52 -3.581 -4.880 -5.084 1.00 11.55 N ATOM 839 CA GLU A 52 -3.052 -4.618 -6.441 1.00 63.22 C ATOM 840 C GLU A 52 -3.400 -3.179 -6.900 1.00 15.04 C ATOM 841 O GLU A 52 -2.610 -2.519 -7.586 1.00 42.22 O ATOM 842 CB GLU A 52 -3.621 -5.654 -7.451 1.00 53.20 C ATOM 843 CG GLU A 52 -3.223 -7.123 -7.167 1.00 3.01 C ATOM 844 CD GLU A 52 -3.769 -8.106 -8.220 1.00 12.35 C ATOM 845 OE1 GLU A 52 -3.120 -8.278 -9.277 1.00 5.32 O ATOM 846 OE2 GLU A 52 -4.854 -8.697 -8.006 1.00 13.43 O ATOM 0 H GLU A 52 -4.332 -5.570 -5.064 1.00 11.55 H new ATOM 0 HA GLU A 52 -1.967 -4.715 -6.408 1.00 63.22 H new ATOM 0 HB2 GLU A 52 -4.709 -5.580 -7.452 1.00 53.20 H new ATOM 0 HB3 GLU A 52 -3.283 -5.388 -8.452 1.00 53.20 H new ATOM 0 HG2 GLU A 52 -2.136 -7.200 -7.134 1.00 3.01 H new ATOM 0 HG3 GLU A 52 -3.593 -7.411 -6.183 1.00 3.01 H new ATOM 853 N LYS A 53 -4.592 -2.707 -6.490 1.00 4.23 N ATOM 854 CA LYS A 53 -5.054 -1.330 -6.773 1.00 71.24 C ATOM 855 C LYS A 53 -4.282 -0.315 -5.918 1.00 44.14 C ATOM 856 O LYS A 53 -4.000 0.783 -6.378 1.00 54.11 O ATOM 857 CB LYS A 53 -6.606 -1.183 -6.557 1.00 10.50 C ATOM 858 CG LYS A 53 -7.381 -0.783 -7.830 1.00 21.12 C ATOM 859 CD LYS A 53 -6.894 0.572 -8.402 1.00 41.23 C ATOM 860 CE LYS A 53 -7.606 0.979 -9.699 1.00 64.02 C ATOM 861 NZ LYS A 53 -7.111 2.285 -10.205 1.00 1.03 N ATOM 0 H LYS A 53 -5.260 -3.263 -5.956 1.00 4.23 H new ATOM 0 HA LYS A 53 -4.851 -1.121 -7.823 1.00 71.24 H new ATOM 0 HB2 LYS A 53 -7.002 -2.128 -6.185 1.00 10.50 H new ATOM 0 HB3 LYS A 53 -6.786 -0.435 -5.784 1.00 10.50 H new ATOM 0 HG2 LYS A 53 -7.263 -1.559 -8.586 1.00 21.12 H new ATOM 0 HG3 LYS A 53 -8.445 -0.719 -7.602 1.00 21.12 H new ATOM 0 HD2 LYS A 53 -7.047 1.349 -7.653 1.00 41.23 H new ATOM 0 HD3 LYS A 53 -5.822 0.515 -8.588 1.00 41.23 H new ATOM 0 HE2 LYS A 53 -7.450 0.211 -10.457 1.00 64.02 H new ATOM 0 HE3 LYS A 53 -8.680 1.039 -9.522 1.00 64.02 H new ATOM 0 HZ1 LYS A 53 -7.858 2.747 -10.762 1.00 1.03 H new ATOM 0 HZ2 LYS A 53 -6.852 2.893 -9.402 1.00 1.03 H new ATOM 0 HZ3 LYS A 53 -6.276 2.131 -10.806 1.00 1.03 H new ATOM 875 N PHE A 54 -3.942 -0.705 -4.679 1.00 22.24 N ATOM 876 CA PHE A 54 -3.125 0.129 -3.776 1.00 1.20 C ATOM 877 C PHE A 54 -1.738 0.391 -4.402 1.00 31.15 C ATOM 878 O PHE A 54 -1.203 1.498 -4.311 1.00 5.13 O ATOM 879 CB PHE A 54 -2.979 -0.544 -2.383 1.00 21.44 C ATOM 880 CG PHE A 54 -2.281 0.354 -1.362 1.00 75.40 C ATOM 881 CD1 PHE A 54 -2.987 1.379 -0.731 1.00 41.42 C ATOM 882 CD2 PHE A 54 -0.921 0.225 -1.088 1.00 40.41 C ATOM 883 CE1 PHE A 54 -2.360 2.232 0.146 1.00 63.22 C ATOM 884 CE2 PHE A 54 -0.293 1.086 -0.222 1.00 63.52 C ATOM 885 CZ PHE A 54 -1.010 2.090 0.393 1.00 22.04 C ATOM 0 H PHE A 54 -4.222 -1.599 -4.275 1.00 22.24 H new ATOM 0 HA PHE A 54 -3.631 1.084 -3.637 1.00 1.20 H new ATOM 0 HB2 PHE A 54 -3.967 -0.812 -2.009 1.00 21.44 H new ATOM 0 HB3 PHE A 54 -2.416 -1.471 -2.490 1.00 21.44 H new ATOM 0 HD1 PHE A 54 -4.040 1.504 -0.934 1.00 41.42 H new ATOM 0 HD2 PHE A 54 -0.354 -0.562 -1.563 1.00 40.41 H new ATOM 0 HE1 PHE A 54 -2.922 3.011 0.640 1.00 63.22 H new ATOM 0 HE2 PHE A 54 0.763 0.977 -0.023 1.00 63.52 H new ATOM 0 HZ PHE A 54 -0.513 2.768 1.071 1.00 22.04 H new ATOM 895 N ARG A 55 -1.187 -0.652 -5.054 1.00 34.51 N ATOM 896 CA ARG A 55 0.077 -0.561 -5.812 1.00 50.42 C ATOM 897 C ARG A 55 -0.049 0.451 -6.971 1.00 34.35 C ATOM 898 O ARG A 55 0.856 1.233 -7.216 1.00 63.41 O ATOM 899 CB ARG A 55 0.451 -1.958 -6.391 1.00 2.02 C ATOM 900 CG ARG A 55 1.831 -2.028 -7.133 1.00 31.50 C ATOM 901 CD ARG A 55 1.726 -2.496 -8.603 1.00 64.13 C ATOM 902 NE ARG A 55 1.017 -1.526 -9.462 1.00 51.23 N ATOM 903 CZ ARG A 55 0.708 -1.716 -10.730 1.00 72.05 C ATOM 904 NH1 ARG A 55 1.002 -2.824 -11.343 1.00 42.42 N ATOM 905 NH2 ARG A 55 0.106 -0.779 -11.389 1.00 41.12 N ATOM 0 H ARG A 55 -1.606 -1.582 -5.070 1.00 34.51 H new ATOM 0 HA ARG A 55 0.857 -0.222 -5.131 1.00 50.42 H new ATOM 0 HB2 ARG A 55 0.459 -2.681 -5.575 1.00 2.02 H new ATOM 0 HB3 ARG A 55 -0.332 -2.267 -7.084 1.00 2.02 H new ATOM 0 HG2 ARG A 55 2.297 -1.043 -7.107 1.00 31.50 H new ATOM 0 HG3 ARG A 55 2.490 -2.707 -6.592 1.00 31.50 H new ATOM 0 HD2 ARG A 55 2.728 -2.662 -8.999 1.00 64.13 H new ATOM 0 HD3 ARG A 55 1.207 -3.454 -8.639 1.00 64.13 H new ATOM 0 HE ARG A 55 0.744 -0.638 -9.041 1.00 51.23 H new ATOM 0 HH11 ARG A 55 1.483 -3.572 -10.843 1.00 42.42 H new ATOM 0 HH12 ARG A 55 0.752 -2.946 -12.324 1.00 42.42 H new ATOM 0 HH21 ARG A 55 -0.127 0.100 -10.928 1.00 41.12 H new ATOM 0 HH22 ARG A 55 -0.136 -0.920 -12.370 1.00 41.12 H new ATOM 919 N ASP A 56 -1.188 0.381 -7.683 1.00 1.50 N ATOM 920 CA ASP A 56 -1.487 1.235 -8.853 1.00 43.45 C ATOM 921 C ASP A 56 -1.564 2.736 -8.458 1.00 30.33 C ATOM 922 O ASP A 56 -0.905 3.579 -9.070 1.00 62.20 O ATOM 923 CB ASP A 56 -2.808 0.746 -9.512 1.00 12.43 C ATOM 924 CG ASP A 56 -3.124 1.431 -10.853 1.00 62.40 C ATOM 925 OD1 ASP A 56 -2.338 1.251 -11.809 1.00 20.41 O ATOM 926 OD2 ASP A 56 -4.157 2.131 -10.965 1.00 63.53 O ATOM 0 H ASP A 56 -1.936 -0.276 -7.462 1.00 1.50 H new ATOM 0 HA ASP A 56 -0.676 1.149 -9.576 1.00 43.45 H new ATOM 0 HB2 ASP A 56 -2.747 -0.331 -9.670 1.00 12.43 H new ATOM 0 HB3 ASP A 56 -3.634 0.921 -8.822 1.00 12.43 H new ATOM 931 N GLU A 57 -2.349 3.039 -7.407 1.00 24.52 N ATOM 932 CA GLU A 57 -2.518 4.419 -6.878 1.00 11.43 C ATOM 933 C GLU A 57 -1.170 4.993 -6.373 1.00 33.41 C ATOM 934 O GLU A 57 -0.819 6.148 -6.655 1.00 13.53 O ATOM 935 CB GLU A 57 -3.564 4.429 -5.729 1.00 43.10 C ATOM 936 CG GLU A 57 -4.935 3.799 -6.073 1.00 51.44 C ATOM 937 CD GLU A 57 -5.665 4.474 -7.248 1.00 12.44 C ATOM 938 OE1 GLU A 57 -6.333 5.505 -7.032 1.00 5.41 O ATOM 939 OE2 GLU A 57 -5.588 3.971 -8.391 1.00 3.44 O ATOM 0 H GLU A 57 -2.887 2.339 -6.896 1.00 24.52 H new ATOM 0 HA GLU A 57 -2.874 5.051 -7.692 1.00 11.43 H new ATOM 0 HB2 GLU A 57 -3.144 3.899 -4.874 1.00 43.10 H new ATOM 0 HB3 GLU A 57 -3.726 5.461 -5.417 1.00 43.10 H new ATOM 0 HG2 GLU A 57 -4.788 2.745 -6.309 1.00 51.44 H new ATOM 0 HG3 GLU A 57 -5.573 3.842 -5.191 1.00 51.44 H new ATOM 946 N MET A 58 -0.428 4.158 -5.615 1.00 2.43 N ATOM 947 CA MET A 58 0.934 4.480 -5.139 1.00 2.25 C ATOM 948 C MET A 58 1.931 4.757 -6.284 1.00 65.45 C ATOM 949 O MET A 58 2.691 5.720 -6.216 1.00 62.15 O ATOM 950 CB MET A 58 1.482 3.345 -4.235 1.00 31.40 C ATOM 951 CG MET A 58 1.063 3.430 -2.757 1.00 64.31 C ATOM 952 SD MET A 58 2.360 2.801 -1.682 1.00 61.33 S ATOM 953 CE MET A 58 3.732 3.856 -2.176 1.00 45.50 C ATOM 0 H MET A 58 -0.757 3.240 -5.315 1.00 2.43 H new ATOM 0 HA MET A 58 0.841 5.401 -4.564 1.00 2.25 H new ATOM 0 HB2 MET A 58 1.149 2.388 -4.637 1.00 31.40 H new ATOM 0 HB3 MET A 58 2.571 3.352 -4.289 1.00 31.40 H new ATOM 0 HG2 MET A 58 0.841 4.465 -2.497 1.00 64.31 H new ATOM 0 HG3 MET A 58 0.148 2.859 -2.601 1.00 64.31 H new ATOM 0 HE1 MET A 58 4.643 3.524 -1.679 1.00 45.50 H new ATOM 0 HE2 MET A 58 3.866 3.797 -3.256 1.00 45.50 H new ATOM 0 HE3 MET A 58 3.519 4.887 -1.893 1.00 45.50 H new ATOM 963 N GLU A 59 1.909 3.907 -7.321 1.00 1.43 N ATOM 964 CA GLU A 59 2.883 3.965 -8.437 1.00 22.53 C ATOM 965 C GLU A 59 2.741 5.285 -9.236 1.00 53.22 C ATOM 966 O GLU A 59 3.721 5.810 -9.764 1.00 2.23 O ATOM 967 CB GLU A 59 2.700 2.722 -9.353 1.00 73.11 C ATOM 968 CG GLU A 59 3.883 2.426 -10.299 1.00 42.20 C ATOM 969 CD GLU A 59 3.663 1.168 -11.168 1.00 22.42 C ATOM 970 OE1 GLU A 59 3.675 0.044 -10.620 1.00 32.15 O ATOM 971 OE2 GLU A 59 3.480 1.296 -12.397 1.00 64.42 O ATOM 0 H GLU A 59 1.221 3.160 -7.416 1.00 1.43 H new ATOM 0 HA GLU A 59 3.893 3.949 -8.027 1.00 22.53 H new ATOM 0 HB2 GLU A 59 2.531 1.848 -8.724 1.00 73.11 H new ATOM 0 HB3 GLU A 59 1.801 2.862 -9.953 1.00 73.11 H new ATOM 0 HG2 GLU A 59 4.045 3.286 -10.949 1.00 42.20 H new ATOM 0 HG3 GLU A 59 4.790 2.298 -9.708 1.00 42.20 H new ATOM 978 N GLN A 60 1.505 5.818 -9.279 1.00 25.41 N ATOM 979 CA GLN A 60 1.195 7.105 -9.939 1.00 34.40 C ATOM 980 C GLN A 60 1.858 8.301 -9.205 1.00 21.33 C ATOM 981 O GLN A 60 2.617 9.063 -9.805 1.00 70.53 O ATOM 982 CB GLN A 60 -0.344 7.308 -9.993 1.00 42.00 C ATOM 983 CG GLN A 60 -0.804 8.568 -10.754 1.00 70.11 C ATOM 984 CD GLN A 60 -2.327 8.733 -10.774 1.00 52.23 C ATOM 985 OE1 GLN A 60 -3.010 8.238 -11.668 1.00 13.04 O ATOM 986 NE2 GLN A 60 -2.870 9.439 -9.795 1.00 22.00 N ATOM 0 H GLN A 60 0.691 5.370 -8.858 1.00 25.41 H new ATOM 0 HA GLN A 60 1.600 7.069 -10.950 1.00 34.40 H new ATOM 0 HB2 GLN A 60 -0.796 6.433 -10.461 1.00 42.00 H new ATOM 0 HB3 GLN A 60 -0.726 7.357 -8.973 1.00 42.00 H new ATOM 0 HG2 GLN A 60 -0.355 9.448 -10.294 1.00 70.11 H new ATOM 0 HG3 GLN A 60 -0.436 8.521 -11.779 1.00 70.11 H new ATOM 0 HE21 GLN A 60 -2.279 9.838 -9.066 1.00 22.00 H new ATOM 0 HE22 GLN A 60 -3.879 9.584 -9.770 1.00 22.00 H new ATOM 995 N MET A 61 1.575 8.440 -7.894 1.00 64.12 N ATOM 996 CA MET A 61 2.063 9.594 -7.085 1.00 51.01 C ATOM 997 C MET A 61 3.569 9.482 -6.745 1.00 34.32 C ATOM 998 O MET A 61 4.220 10.490 -6.454 1.00 70.53 O ATOM 999 CB MET A 61 1.195 9.783 -5.813 1.00 45.14 C ATOM 1000 CG MET A 61 1.049 8.545 -4.937 1.00 34.13 C ATOM 1001 SD MET A 61 -0.088 8.820 -3.568 1.00 24.44 S ATOM 1002 CE MET A 61 -0.122 7.202 -2.817 1.00 61.14 C ATOM 0 H MET A 61 1.012 7.773 -7.366 1.00 64.12 H new ATOM 0 HA MET A 61 1.957 10.488 -7.699 1.00 51.01 H new ATOM 0 HB2 MET A 61 1.628 10.584 -5.213 1.00 45.14 H new ATOM 0 HB3 MET A 61 0.201 10.113 -6.116 1.00 45.14 H new ATOM 0 HG2 MET A 61 0.693 7.712 -5.543 1.00 34.13 H new ATOM 0 HG3 MET A 61 2.026 8.260 -4.546 1.00 34.13 H new ATOM 0 HE1 MET A 61 -0.715 7.237 -1.903 1.00 61.14 H new ATOM 0 HE2 MET A 61 -0.566 6.488 -3.511 1.00 61.14 H new ATOM 0 HE3 MET A 61 0.895 6.890 -2.578 1.00 61.14 H new ATOM 1012 N TYR A 62 4.108 8.246 -6.777 1.00 41.50 N ATOM 1013 CA TYR A 62 5.566 7.999 -6.687 1.00 72.42 C ATOM 1014 C TYR A 62 6.271 8.430 -7.997 1.00 12.42 C ATOM 1015 O TYR A 62 7.365 8.981 -7.963 1.00 52.33 O ATOM 1016 CB TYR A 62 5.861 6.504 -6.373 1.00 51.42 C ATOM 1017 CG TYR A 62 7.359 6.129 -6.459 1.00 30.43 C ATOM 1018 CD1 TYR A 62 8.261 6.516 -5.461 1.00 21.32 C ATOM 1019 CD2 TYR A 62 7.877 5.438 -7.567 1.00 53.13 C ATOM 1020 CE1 TYR A 62 9.607 6.228 -5.565 1.00 15.14 C ATOM 1021 CE2 TYR A 62 9.221 5.141 -7.663 1.00 62.52 C ATOM 1022 CZ TYR A 62 10.081 5.545 -6.667 1.00 44.10 C ATOM 1023 OH TYR A 62 11.424 5.283 -6.783 1.00 45.42 O ATOM 0 H TYR A 62 3.552 7.396 -6.865 1.00 41.50 H new ATOM 0 HA TYR A 62 5.961 8.599 -5.867 1.00 72.42 H new ATOM 0 HB2 TYR A 62 5.496 6.274 -5.372 1.00 51.42 H new ATOM 0 HB3 TYR A 62 5.300 5.879 -7.068 1.00 51.42 H new ATOM 0 HD1 TYR A 62 7.898 7.049 -4.595 1.00 21.32 H new ATOM 0 HD2 TYR A 62 7.210 5.133 -8.360 1.00 53.13 H new ATOM 0 HE1 TYR A 62 10.288 6.536 -4.786 1.00 15.14 H new ATOM 0 HE2 TYR A 62 9.596 4.594 -8.515 1.00 62.52 H new ATOM 0 HH TYR A 62 11.553 4.459 -7.298 1.00 45.42 H new ATOM 1033 N LYS A 63 5.638 8.146 -9.145 1.00 64.14 N ATOM 1034 CA LYS A 63 6.147 8.590 -10.470 1.00 33.50 C ATOM 1035 C LYS A 63 6.099 10.138 -10.576 1.00 3.53 C ATOM 1036 O LYS A 63 6.980 10.762 -11.181 1.00 73.14 O ATOM 1037 CB LYS A 63 5.328 7.899 -11.607 1.00 64.00 C ATOM 1038 CG LYS A 63 5.837 8.115 -13.066 1.00 44.52 C ATOM 1039 CD LYS A 63 5.268 9.382 -13.761 1.00 33.34 C ATOM 1040 CE LYS A 63 5.716 9.506 -15.229 1.00 60.21 C ATOM 1041 NZ LYS A 63 5.317 8.329 -16.045 1.00 32.14 N ATOM 0 H LYS A 63 4.771 7.611 -9.192 1.00 64.14 H new ATOM 0 HA LYS A 63 7.190 8.292 -10.580 1.00 33.50 H new ATOM 0 HB2 LYS A 63 5.307 6.827 -11.409 1.00 64.00 H new ATOM 0 HB3 LYS A 63 4.299 8.254 -11.549 1.00 64.00 H new ATOM 0 HG2 LYS A 63 6.925 8.180 -13.053 1.00 44.52 H new ATOM 0 HG3 LYS A 63 5.577 7.240 -13.662 1.00 44.52 H new ATOM 0 HD2 LYS A 63 4.179 9.357 -13.719 1.00 33.34 H new ATOM 0 HD3 LYS A 63 5.588 10.267 -13.212 1.00 33.34 H new ATOM 0 HE2 LYS A 63 5.285 10.408 -15.663 1.00 60.21 H new ATOM 0 HE3 LYS A 63 6.799 9.621 -15.267 1.00 60.21 H new ATOM 0 HZ1 LYS A 63 5.456 8.543 -17.053 1.00 32.14 H new ATOM 0 HZ2 LYS A 63 5.901 7.510 -15.781 1.00 32.14 H new ATOM 0 HZ3 LYS A 63 4.315 8.110 -15.872 1.00 32.14 H new ATOM 1055 N ASP A 64 5.057 10.734 -9.965 1.00 42.11 N ATOM 1056 CA ASP A 64 4.876 12.198 -9.894 1.00 51.31 C ATOM 1057 C ASP A 64 5.962 12.854 -8.994 1.00 5.14 C ATOM 1058 O ASP A 64 6.510 13.910 -9.334 1.00 11.51 O ATOM 1059 CB ASP A 64 3.452 12.517 -9.363 1.00 21.42 C ATOM 1060 CG ASP A 64 3.129 14.019 -9.338 1.00 14.43 C ATOM 1061 OD1 ASP A 64 2.825 14.591 -10.405 1.00 55.31 O ATOM 1062 OD2 ASP A 64 3.180 14.637 -8.255 1.00 13.25 O ATOM 0 H ASP A 64 4.313 10.211 -9.504 1.00 42.11 H new ATOM 0 HA ASP A 64 4.986 12.616 -10.895 1.00 51.31 H new ATOM 0 HB2 ASP A 64 2.718 12.006 -9.986 1.00 21.42 H new ATOM 0 HB3 ASP A 64 3.350 12.115 -8.355 1.00 21.42 H new ATOM 1067 N ALA A 65 6.279 12.198 -7.861 1.00 42.15 N ATOM 1068 CA ALA A 65 7.276 12.694 -6.885 1.00 65.33 C ATOM 1069 C ALA A 65 8.050 11.513 -6.221 1.00 53.32 C ATOM 1070 O ALA A 65 7.617 10.985 -5.184 1.00 22.20 O ATOM 1071 CB ALA A 65 6.578 13.573 -5.827 1.00 42.12 C ATOM 0 H ALA A 65 5.853 11.310 -7.594 1.00 42.15 H new ATOM 0 HA ALA A 65 8.010 13.303 -7.412 1.00 65.33 H new ATOM 0 HB1 ALA A 65 7.316 13.936 -5.111 1.00 42.12 H new ATOM 0 HB2 ALA A 65 6.100 14.421 -6.317 1.00 42.12 H new ATOM 0 HB3 ALA A 65 5.824 12.984 -5.304 1.00 42.12 H new ATOM 1077 N PRO A 66 9.185 11.029 -6.843 1.00 63.11 N ATOM 1078 CA PRO A 66 10.049 9.984 -6.244 1.00 42.43 C ATOM 1079 C PRO A 66 10.921 10.565 -5.107 1.00 72.50 C ATOM 1080 O PRO A 66 11.986 11.139 -5.359 1.00 32.53 O ATOM 1081 CB PRO A 66 10.911 9.465 -7.449 1.00 3.32 C ATOM 1082 CG PRO A 66 10.347 10.154 -8.666 1.00 74.10 C ATOM 1083 CD PRO A 66 9.706 11.433 -8.167 1.00 43.32 C ATOM 0 HA PRO A 66 9.481 9.180 -5.776 1.00 42.43 H new ATOM 0 HB2 PRO A 66 11.965 9.708 -7.312 1.00 3.32 H new ATOM 0 HB3 PRO A 66 10.843 8.381 -7.543 1.00 3.32 H new ATOM 0 HG2 PRO A 66 11.132 10.369 -9.391 1.00 74.10 H new ATOM 0 HG3 PRO A 66 9.615 9.521 -9.168 1.00 74.10 H new ATOM 0 HD2 PRO A 66 10.428 12.246 -8.089 1.00 43.32 H new ATOM 0 HD3 PRO A 66 8.911 11.775 -8.830 1.00 43.32 H new ATOM 1091 N ASN A 67 10.425 10.455 -3.862 1.00 54.33 N ATOM 1092 CA ASN A 67 11.123 10.984 -2.668 1.00 64.32 C ATOM 1093 C ASN A 67 12.377 10.125 -2.319 1.00 41.40 C ATOM 1094 O ASN A 67 13.487 10.450 -2.765 1.00 11.42 O ATOM 1095 CB ASN A 67 10.130 11.082 -1.474 1.00 5.43 C ATOM 1096 CG ASN A 67 8.913 11.976 -1.766 1.00 42.42 C ATOM 1097 OD1 ASN A 67 8.992 12.924 -2.538 1.00 52.45 O ATOM 1098 ND2 ASN A 67 7.778 11.691 -1.144 1.00 23.23 N ATOM 0 H ASN A 67 9.536 10.001 -3.652 1.00 54.33 H new ATOM 0 HA ASN A 67 11.486 11.988 -2.888 1.00 64.32 H new ATOM 0 HB2 ASN A 67 9.783 10.081 -1.216 1.00 5.43 H new ATOM 0 HB3 ASN A 67 10.657 11.471 -0.603 1.00 5.43 H new ATOM 0 HD21 ASN A 67 6.950 12.265 -1.304 1.00 23.23 H new ATOM 0 HD22 ASN A 67 7.732 10.897 -0.505 1.00 23.23 H new ATOM 1105 N ALA A 68 12.187 9.014 -1.557 1.00 13.01 N ATOM 1106 CA ALA A 68 13.280 8.070 -1.203 1.00 2.21 C ATOM 1107 C ALA A 68 12.718 6.779 -0.557 1.00 34.33 C ATOM 1108 O ALA A 68 12.729 5.719 -1.180 1.00 74.32 O ATOM 1109 CB ALA A 68 14.329 8.742 -0.287 1.00 41.41 C ATOM 0 H ALA A 68 11.279 8.750 -1.174 1.00 13.01 H new ATOM 0 HA ALA A 68 13.783 7.787 -2.128 1.00 2.21 H new ATOM 0 HB1 ALA A 68 15.114 8.025 -0.047 1.00 41.41 H new ATOM 0 HB2 ALA A 68 14.765 9.599 -0.800 1.00 41.41 H new ATOM 0 HB3 ALA A 68 13.848 9.076 0.633 1.00 41.41 H new ATOM 1115 N VAL A 69 12.191 6.890 0.686 1.00 34.43 N ATOM 1116 CA VAL A 69 11.609 5.738 1.436 1.00 41.44 C ATOM 1117 C VAL A 69 10.403 5.111 0.685 1.00 3.55 C ATOM 1118 O VAL A 69 10.150 3.907 0.786 1.00 43.23 O ATOM 1119 CB VAL A 69 11.179 6.171 2.895 1.00 34.14 C ATOM 1120 CG1 VAL A 69 10.061 7.241 2.884 1.00 51.11 C ATOM 1121 CG2 VAL A 69 10.773 4.954 3.761 1.00 2.25 C ATOM 0 H VAL A 69 12.155 7.771 1.198 1.00 34.43 H new ATOM 0 HA VAL A 69 12.388 4.979 1.511 1.00 41.44 H new ATOM 0 HB VAL A 69 12.058 6.626 3.352 1.00 34.14 H new ATOM 0 HG11 VAL A 69 9.800 7.505 3.909 1.00 51.11 H new ATOM 0 HG12 VAL A 69 10.412 8.129 2.358 1.00 51.11 H new ATOM 0 HG13 VAL A 69 9.182 6.843 2.377 1.00 51.11 H new ATOM 0 HG21 VAL A 69 10.485 5.295 4.755 1.00 2.25 H new ATOM 0 HG22 VAL A 69 9.932 4.441 3.295 1.00 2.25 H new ATOM 0 HG23 VAL A 69 11.616 4.268 3.843 1.00 2.25 H new ATOM 1131 N MET A 70 9.710 5.952 -0.112 1.00 52.32 N ATOM 1132 CA MET A 70 8.532 5.547 -0.909 1.00 11.21 C ATOM 1133 C MET A 70 8.897 4.466 -1.971 1.00 72.42 C ATOM 1134 O MET A 70 8.041 3.687 -2.378 1.00 41.32 O ATOM 1135 CB MET A 70 7.876 6.807 -1.550 1.00 24.24 C ATOM 1136 CG MET A 70 6.418 6.618 -1.998 1.00 74.02 C ATOM 1137 SD MET A 70 5.623 8.176 -2.455 1.00 4.42 S ATOM 1138 CE MET A 70 3.893 7.698 -2.534 1.00 51.22 C ATOM 0 H MET A 70 9.953 6.937 -0.221 1.00 52.32 H new ATOM 0 HA MET A 70 7.802 5.082 -0.246 1.00 11.21 H new ATOM 0 HB2 MET A 70 7.917 7.626 -0.832 1.00 24.24 H new ATOM 0 HB3 MET A 70 8.470 7.109 -2.412 1.00 24.24 H new ATOM 0 HG2 MET A 70 6.389 5.936 -2.848 1.00 74.02 H new ATOM 0 HG3 MET A 70 5.853 6.148 -1.193 1.00 74.02 H new ATOM 0 HE1 MET A 70 3.274 8.588 -2.647 1.00 51.22 H new ATOM 0 HE2 MET A 70 3.737 7.037 -3.386 1.00 51.22 H new ATOM 0 HE3 MET A 70 3.617 7.179 -1.616 1.00 51.22 H new ATOM 1148 N GLU A 71 10.187 4.429 -2.384 1.00 70.53 N ATOM 1149 CA GLU A 71 10.741 3.368 -3.267 1.00 43.52 C ATOM 1150 C GLU A 71 10.645 1.968 -2.610 1.00 34.11 C ATOM 1151 O GLU A 71 10.119 1.028 -3.208 1.00 51.42 O ATOM 1152 CB GLU A 71 12.231 3.677 -3.611 1.00 42.25 C ATOM 1153 CG GLU A 71 12.980 2.567 -4.394 1.00 24.50 C ATOM 1154 CD GLU A 71 12.496 2.391 -5.851 1.00 60.24 C ATOM 1155 OE1 GLU A 71 11.410 1.811 -6.074 1.00 52.14 O ATOM 1156 OE2 GLU A 71 13.212 2.827 -6.778 1.00 2.20 O ATOM 0 H GLU A 71 10.875 5.133 -2.116 1.00 70.53 H new ATOM 0 HA GLU A 71 10.145 3.359 -4.180 1.00 43.52 H new ATOM 0 HB2 GLU A 71 12.268 4.597 -4.195 1.00 42.25 H new ATOM 0 HB3 GLU A 71 12.768 3.867 -2.682 1.00 42.25 H new ATOM 0 HG2 GLU A 71 14.045 2.797 -4.401 1.00 24.50 H new ATOM 0 HG3 GLU A 71 12.862 1.621 -3.866 1.00 24.50 H new ATOM 1163 N GLN A 72 11.171 1.849 -1.376 1.00 53.10 N ATOM 1164 CA GLN A 72 11.106 0.586 -0.600 1.00 1.53 C ATOM 1165 C GLN A 72 9.661 0.216 -0.218 1.00 43.25 C ATOM 1166 O GLN A 72 9.339 -0.962 -0.072 1.00 31.41 O ATOM 1167 CB GLN A 72 12.039 0.630 0.645 1.00 34.24 C ATOM 1168 CG GLN A 72 13.546 0.544 0.313 1.00 14.15 C ATOM 1169 CD GLN A 72 13.876 -0.639 -0.613 1.00 54.52 C ATOM 1170 OE1 GLN A 72 13.938 -0.502 -1.831 1.00 21.15 O ATOM 1171 NE2 GLN A 72 14.046 -1.818 -0.044 1.00 71.03 N ATOM 0 H GLN A 72 11.647 2.610 -0.891 1.00 53.10 H new ATOM 0 HA GLN A 72 11.472 -0.207 -1.252 1.00 1.53 H new ATOM 0 HB2 GLN A 72 11.852 1.554 1.193 1.00 34.24 H new ATOM 0 HB3 GLN A 72 11.778 -0.193 1.310 1.00 34.24 H new ATOM 0 HG2 GLN A 72 13.864 1.473 -0.161 1.00 14.15 H new ATOM 0 HG3 GLN A 72 14.114 0.447 1.238 1.00 14.15 H new ATOM 0 HE21 GLN A 72 13.990 -1.907 0.971 1.00 71.03 H new ATOM 0 HE22 GLN A 72 14.233 -2.639 -0.619 1.00 71.03 H new ATOM 1180 N LEU A 73 8.813 1.234 -0.046 1.00 32.12 N ATOM 1181 CA LEU A 73 7.361 1.047 0.146 1.00 14.33 C ATOM 1182 C LEU A 73 6.679 0.471 -1.134 1.00 3.54 C ATOM 1183 O LEU A 73 5.724 -0.295 -1.018 1.00 24.24 O ATOM 1184 CB LEU A 73 6.730 2.387 0.604 1.00 52.13 C ATOM 1185 CG LEU A 73 7.198 2.883 2.023 1.00 54.51 C ATOM 1186 CD1 LEU A 73 6.850 4.368 2.266 1.00 31.25 C ATOM 1187 CD2 LEU A 73 6.620 1.986 3.151 1.00 12.53 C ATOM 0 H LEU A 73 9.107 2.211 -0.035 1.00 32.12 H new ATOM 0 HA LEU A 73 7.195 0.305 0.927 1.00 14.33 H new ATOM 0 HB2 LEU A 73 6.968 3.155 -0.131 1.00 52.13 H new ATOM 0 HB3 LEU A 73 5.645 2.279 0.611 1.00 52.13 H new ATOM 0 HG LEU A 73 8.285 2.799 2.044 1.00 54.51 H new ATOM 0 HD11 LEU A 73 7.192 4.664 3.257 1.00 31.25 H new ATOM 0 HD12 LEU A 73 7.341 4.985 1.513 1.00 31.25 H new ATOM 0 HD13 LEU A 73 5.771 4.504 2.199 1.00 31.25 H new ATOM 0 HD21 LEU A 73 6.961 2.354 4.119 1.00 12.53 H new ATOM 0 HD22 LEU A 73 5.531 2.013 3.115 1.00 12.53 H new ATOM 0 HD23 LEU A 73 6.962 0.960 3.012 1.00 12.53 H new ATOM 1199 N LEU A 74 7.191 0.826 -2.345 1.00 61.14 N ATOM 1200 CA LEU A 74 6.760 0.174 -3.622 1.00 40.55 C ATOM 1201 C LEU A 74 7.226 -1.306 -3.671 1.00 34.44 C ATOM 1202 O LEU A 74 6.444 -2.197 -4.029 1.00 61.23 O ATOM 1203 CB LEU A 74 7.275 0.936 -4.903 1.00 63.33 C ATOM 1204 CG LEU A 74 6.277 1.930 -5.587 1.00 1.35 C ATOM 1205 CD1 LEU A 74 4.943 1.240 -5.955 1.00 44.33 C ATOM 1206 CD2 LEU A 74 6.043 3.170 -4.723 1.00 64.32 C ATOM 0 H LEU A 74 7.896 1.553 -2.467 1.00 61.14 H new ATOM 0 HA LEU A 74 5.671 0.215 -3.633 1.00 40.55 H new ATOM 0 HB2 LEU A 74 8.172 1.491 -4.629 1.00 63.33 H new ATOM 0 HB3 LEU A 74 7.573 0.193 -5.642 1.00 63.33 H new ATOM 0 HG LEU A 74 6.738 2.259 -6.518 1.00 1.35 H new ATOM 0 HD11 LEU A 74 4.278 1.963 -6.427 1.00 44.33 H new ATOM 0 HD12 LEU A 74 5.136 0.419 -6.646 1.00 44.33 H new ATOM 0 HD13 LEU A 74 4.473 0.851 -5.052 1.00 44.33 H new ATOM 0 HD21 LEU A 74 5.346 3.839 -5.228 1.00 64.32 H new ATOM 0 HD22 LEU A 74 5.627 2.870 -3.761 1.00 64.32 H new ATOM 0 HD23 LEU A 74 6.990 3.686 -4.564 1.00 64.32 H new ATOM 1218 N GLU A 75 8.514 -1.546 -3.318 1.00 23.30 N ATOM 1219 CA GLU A 75 9.103 -2.912 -3.281 1.00 23.41 C ATOM 1220 C GLU A 75 8.333 -3.826 -2.301 1.00 52.03 C ATOM 1221 O GLU A 75 8.106 -5.007 -2.580 1.00 61.04 O ATOM 1222 CB GLU A 75 10.597 -2.875 -2.851 1.00 43.41 C ATOM 1223 CG GLU A 75 11.299 -4.263 -2.885 1.00 20.21 C ATOM 1224 CD GLU A 75 12.575 -4.343 -2.027 1.00 64.53 C ATOM 1225 OE1 GLU A 75 13.603 -3.756 -2.414 1.00 34.50 O ATOM 1226 OE2 GLU A 75 12.553 -5.005 -0.960 1.00 74.43 O ATOM 0 H GLU A 75 9.168 -0.809 -3.054 1.00 23.30 H new ATOM 0 HA GLU A 75 9.027 -3.312 -4.292 1.00 23.41 H new ATOM 0 HB2 GLU A 75 11.136 -2.190 -3.506 1.00 43.41 H new ATOM 0 HB3 GLU A 75 10.664 -2.470 -1.841 1.00 43.41 H new ATOM 0 HG2 GLU A 75 10.596 -5.022 -2.543 1.00 20.21 H new ATOM 0 HG3 GLU A 75 11.552 -4.505 -3.917 1.00 20.21 H new ATOM 1233 N GLU A 76 7.937 -3.240 -1.157 1.00 71.32 N ATOM 1234 CA GLU A 76 7.254 -3.952 -0.059 1.00 12.42 C ATOM 1235 C GLU A 76 5.873 -4.481 -0.513 1.00 54.20 C ATOM 1236 O GLU A 76 5.426 -5.550 -0.079 1.00 72.04 O ATOM 1237 CB GLU A 76 7.113 -3.015 1.176 1.00 60.41 C ATOM 1238 CG GLU A 76 6.893 -3.742 2.520 1.00 22.30 C ATOM 1239 CD GLU A 76 8.064 -4.658 2.921 1.00 23.34 C ATOM 1240 OE1 GLU A 76 9.121 -4.130 3.328 1.00 20.11 O ATOM 1241 OE2 GLU A 76 7.941 -5.899 2.827 1.00 14.44 O ATOM 0 H GLU A 76 8.083 -2.249 -0.966 1.00 71.32 H new ATOM 0 HA GLU A 76 7.858 -4.814 0.224 1.00 12.42 H new ATOM 0 HB2 GLU A 76 8.011 -2.402 1.254 1.00 60.41 H new ATOM 0 HB3 GLU A 76 6.278 -2.336 1.006 1.00 60.41 H new ATOM 0 HG2 GLU A 76 6.737 -3.001 3.304 1.00 22.30 H new ATOM 0 HG3 GLU A 76 5.982 -4.337 2.458 1.00 22.30 H new ATOM 1248 N ILE A 77 5.211 -3.704 -1.389 1.00 22.23 N ATOM 1249 CA ILE A 77 3.959 -4.121 -2.055 1.00 45.30 C ATOM 1250 C ILE A 77 4.226 -5.255 -3.079 1.00 22.22 C ATOM 1251 O ILE A 77 3.502 -6.238 -3.109 1.00 21.32 O ATOM 1252 CB ILE A 77 3.253 -2.918 -2.792 1.00 52.10 C ATOM 1253 CG1 ILE A 77 3.005 -1.732 -1.815 1.00 51.13 C ATOM 1254 CG2 ILE A 77 1.913 -3.365 -3.430 1.00 44.25 C ATOM 1255 CD1 ILE A 77 2.492 -0.464 -2.479 1.00 2.25 C ATOM 0 H ILE A 77 5.526 -2.771 -1.656 1.00 22.23 H new ATOM 0 HA ILE A 77 3.296 -4.485 -1.270 1.00 45.30 H new ATOM 0 HB ILE A 77 3.922 -2.583 -3.585 1.00 52.10 H new ATOM 0 HG12 ILE A 77 2.287 -2.046 -1.057 1.00 51.13 H new ATOM 0 HG13 ILE A 77 3.936 -1.504 -1.297 1.00 51.13 H new ATOM 0 HG21 ILE A 77 1.448 -2.516 -3.931 1.00 44.25 H new ATOM 0 HG22 ILE A 77 2.102 -4.156 -4.156 1.00 44.25 H new ATOM 0 HG23 ILE A 77 1.246 -3.737 -2.652 1.00 44.25 H new ATOM 0 HD11 ILE A 77 2.347 0.309 -1.724 1.00 2.25 H new ATOM 0 HD12 ILE A 77 3.218 -0.120 -3.216 1.00 2.25 H new ATOM 0 HD13 ILE A 77 1.543 -0.671 -2.973 1.00 2.25 H new ATOM 1267 N GLU A 78 5.284 -5.101 -3.900 1.00 30.01 N ATOM 1268 CA GLU A 78 5.625 -6.070 -4.979 1.00 50.14 C ATOM 1269 C GLU A 78 5.878 -7.499 -4.421 1.00 54.34 C ATOM 1270 O GLU A 78 5.375 -8.495 -4.959 1.00 1.42 O ATOM 1271 CB GLU A 78 6.887 -5.605 -5.754 1.00 35.44 C ATOM 1272 CG GLU A 78 7.223 -6.480 -6.992 1.00 24.45 C ATOM 1273 CD GLU A 78 8.678 -6.358 -7.483 1.00 13.25 C ATOM 1274 OE1 GLU A 78 9.030 -5.322 -8.082 1.00 41.41 O ATOM 1275 OE2 GLU A 78 9.463 -7.322 -7.308 1.00 43.52 O ATOM 0 H GLU A 78 5.926 -4.311 -3.841 1.00 30.01 H new ATOM 0 HA GLU A 78 4.767 -6.106 -5.650 1.00 50.14 H new ATOM 0 HB2 GLU A 78 6.743 -4.574 -6.078 1.00 35.44 H new ATOM 0 HB3 GLU A 78 7.740 -5.610 -5.076 1.00 35.44 H new ATOM 0 HG2 GLU A 78 7.021 -7.523 -6.750 1.00 24.45 H new ATOM 0 HG3 GLU A 78 6.553 -6.206 -7.807 1.00 24.45 H new ATOM 1282 N LYS A 79 6.677 -7.568 -3.340 1.00 44.22 N ATOM 1283 CA LYS A 79 7.033 -8.841 -2.664 1.00 31.54 C ATOM 1284 C LYS A 79 5.821 -9.456 -1.918 1.00 41.25 C ATOM 1285 O LYS A 79 5.753 -10.682 -1.746 1.00 42.24 O ATOM 1286 CB LYS A 79 8.268 -8.643 -1.737 1.00 44.33 C ATOM 1287 CG LYS A 79 8.084 -7.657 -0.555 1.00 2.50 C ATOM 1288 CD LYS A 79 9.427 -7.031 -0.082 1.00 54.13 C ATOM 1289 CE LYS A 79 10.475 -8.066 0.368 1.00 22.24 C ATOM 1290 NZ LYS A 79 11.769 -7.418 0.727 1.00 62.23 N ATOM 0 H LYS A 79 7.097 -6.746 -2.906 1.00 44.22 H new ATOM 0 HA LYS A 79 7.314 -9.565 -3.429 1.00 31.54 H new ATOM 0 HB2 LYS A 79 8.552 -9.614 -1.332 1.00 44.33 H new ATOM 0 HB3 LYS A 79 9.102 -8.296 -2.347 1.00 44.33 H new ATOM 0 HG2 LYS A 79 7.402 -6.861 -0.854 1.00 2.50 H new ATOM 0 HG3 LYS A 79 7.617 -8.180 0.280 1.00 2.50 H new ATOM 0 HD2 LYS A 79 9.845 -6.435 -0.894 1.00 54.13 H new ATOM 0 HD3 LYS A 79 9.227 -6.348 0.744 1.00 54.13 H new ATOM 0 HE2 LYS A 79 10.095 -8.620 1.226 1.00 22.24 H new ATOM 0 HE3 LYS A 79 10.639 -8.789 -0.431 1.00 22.24 H new ATOM 0 HZ1 LYS A 79 12.541 -8.108 0.629 1.00 62.23 H new ATOM 0 HZ2 LYS A 79 11.942 -6.612 0.092 1.00 62.23 H new ATOM 0 HZ3 LYS A 79 11.728 -7.081 1.710 1.00 62.23 H new ATOM 1304 N LEU A 80 4.882 -8.593 -1.468 1.00 0.32 N ATOM 1305 CA LEU A 80 3.565 -9.037 -0.930 1.00 43.35 C ATOM 1306 C LEU A 80 2.754 -9.743 -2.049 1.00 10.24 C ATOM 1307 O LEU A 80 2.324 -10.876 -1.873 1.00 25.25 O ATOM 1308 CB LEU A 80 2.776 -7.802 -0.359 1.00 24.25 C ATOM 1309 CG LEU A 80 1.541 -8.071 0.589 1.00 1.13 C ATOM 1310 CD1 LEU A 80 1.098 -6.773 1.293 1.00 61.05 C ATOM 1311 CD2 LEU A 80 0.324 -8.697 -0.138 1.00 14.50 C ATOM 0 H LEU A 80 5.008 -7.581 -1.465 1.00 0.32 H new ATOM 0 HA LEU A 80 3.724 -9.747 -0.118 1.00 43.35 H new ATOM 0 HB2 LEU A 80 3.484 -7.180 0.188 1.00 24.25 H new ATOM 0 HB3 LEU A 80 2.422 -7.214 -1.206 1.00 24.25 H new ATOM 0 HG LEU A 80 1.889 -8.799 1.322 1.00 1.13 H new ATOM 0 HD11 LEU A 80 0.246 -6.983 1.940 1.00 61.05 H new ATOM 0 HD12 LEU A 80 1.922 -6.384 1.892 1.00 61.05 H new ATOM 0 HD13 LEU A 80 0.812 -6.033 0.545 1.00 61.05 H new ATOM 0 HD21 LEU A 80 -0.485 -8.853 0.575 1.00 14.50 H new ATOM 0 HD22 LEU A 80 -0.013 -8.025 -0.928 1.00 14.50 H new ATOM 0 HD23 LEU A 80 0.613 -9.653 -0.574 1.00 14.50 H new ATOM 1323 N LEU A 81 2.595 -9.050 -3.203 1.00 52.03 N ATOM 1324 CA LEU A 81 1.842 -9.550 -4.393 1.00 74.14 C ATOM 1325 C LEU A 81 2.456 -10.844 -4.965 1.00 23.42 C ATOM 1326 O LEU A 81 1.750 -11.677 -5.540 1.00 1.02 O ATOM 1327 CB LEU A 81 1.761 -8.447 -5.502 1.00 44.31 C ATOM 1328 CG LEU A 81 0.599 -7.403 -5.367 1.00 34.25 C ATOM 1329 CD1 LEU A 81 0.570 -6.743 -3.985 1.00 15.00 C ATOM 1330 CD2 LEU A 81 0.684 -6.323 -6.472 1.00 43.34 C ATOM 0 H LEU A 81 2.987 -8.119 -3.341 1.00 52.03 H new ATOM 0 HA LEU A 81 0.832 -9.787 -4.057 1.00 74.14 H new ATOM 0 HB2 LEU A 81 2.707 -7.905 -5.514 1.00 44.31 H new ATOM 0 HB3 LEU A 81 1.665 -8.942 -6.469 1.00 44.31 H new ATOM 0 HG LEU A 81 -0.332 -7.957 -5.489 1.00 34.25 H new ATOM 0 HD11 LEU A 81 -0.252 -6.028 -3.940 1.00 15.00 H new ATOM 0 HD12 LEU A 81 0.429 -7.507 -3.220 1.00 15.00 H new ATOM 0 HD13 LEU A 81 1.512 -6.224 -3.810 1.00 15.00 H new ATOM 0 HD21 LEU A 81 -0.135 -5.614 -6.352 1.00 43.34 H new ATOM 0 HD22 LEU A 81 1.635 -5.796 -6.393 1.00 43.34 H new ATOM 0 HD23 LEU A 81 0.612 -6.797 -7.451 1.00 43.34 H new ATOM 1342 N LYS A 82 3.780 -10.980 -4.803 1.00 15.00 N ATOM 1343 CA LYS A 82 4.543 -12.159 -5.253 1.00 13.30 C ATOM 1344 C LYS A 82 4.073 -13.434 -4.493 1.00 51.11 C ATOM 1345 O LYS A 82 3.833 -14.484 -5.096 1.00 14.24 O ATOM 1346 CB LYS A 82 6.074 -11.894 -5.038 1.00 24.41 C ATOM 1347 CG LYS A 82 7.013 -12.566 -6.068 1.00 72.50 C ATOM 1348 CD LYS A 82 6.774 -12.053 -7.521 1.00 22.11 C ATOM 1349 CE LYS A 82 6.940 -10.520 -7.671 1.00 65.21 C ATOM 1350 NZ LYS A 82 8.323 -10.061 -7.372 1.00 11.21 N ATOM 0 H LYS A 82 4.358 -10.271 -4.353 1.00 15.00 H new ATOM 0 HA LYS A 82 4.364 -12.330 -6.315 1.00 13.30 H new ATOM 0 HB2 LYS A 82 6.246 -10.818 -5.062 1.00 24.41 H new ATOM 0 HB3 LYS A 82 6.349 -12.239 -4.041 1.00 24.41 H new ATOM 0 HG2 LYS A 82 8.049 -12.378 -5.786 1.00 72.50 H new ATOM 0 HG3 LYS A 82 6.865 -13.646 -6.039 1.00 72.50 H new ATOM 0 HD2 LYS A 82 7.471 -12.553 -8.194 1.00 22.11 H new ATOM 0 HD3 LYS A 82 5.769 -12.334 -7.836 1.00 22.11 H new ATOM 0 HE2 LYS A 82 6.676 -10.228 -8.687 1.00 65.21 H new ATOM 0 HE3 LYS A 82 6.242 -10.016 -7.003 1.00 65.21 H new ATOM 0 HZ1 LYS A 82 8.379 -9.029 -7.487 1.00 11.21 H new ATOM 0 HZ2 LYS A 82 8.569 -10.314 -6.394 1.00 11.21 H new ATOM 0 HZ3 LYS A 82 8.990 -10.519 -8.026 1.00 11.21 H new ATOM 1364 N LYS A 83 3.972 -13.309 -3.154 1.00 11.45 N ATOM 1365 CA LYS A 83 3.397 -14.353 -2.259 1.00 74.42 C ATOM 1366 C LYS A 83 1.845 -14.446 -2.346 1.00 35.11 C ATOM 1367 O LYS A 83 1.274 -15.518 -2.099 1.00 32.30 O ATOM 1368 CB LYS A 83 3.857 -14.125 -0.780 1.00 3.34 C ATOM 1369 CG LYS A 83 5.220 -14.778 -0.423 1.00 32.30 C ATOM 1370 CD LYS A 83 6.420 -14.213 -1.225 1.00 63.15 C ATOM 1371 CE LYS A 83 7.691 -15.068 -1.066 1.00 54.33 C ATOM 1372 NZ LYS A 83 8.115 -15.197 0.354 1.00 22.21 N ATOM 0 H LYS A 83 4.287 -12.478 -2.653 1.00 11.45 H new ATOM 0 HA LYS A 83 3.783 -15.310 -2.610 1.00 74.42 H new ATOM 0 HB2 LYS A 83 3.922 -13.053 -0.594 1.00 3.34 H new ATOM 0 HB3 LYS A 83 3.093 -14.519 -0.110 1.00 3.34 H new ATOM 0 HG2 LYS A 83 5.410 -14.639 0.641 1.00 32.30 H new ATOM 0 HG3 LYS A 83 5.153 -15.852 -0.597 1.00 32.30 H new ATOM 0 HD2 LYS A 83 6.153 -14.157 -2.280 1.00 63.15 H new ATOM 0 HD3 LYS A 83 6.627 -13.195 -0.894 1.00 63.15 H new ATOM 0 HE2 LYS A 83 7.512 -16.060 -1.480 1.00 54.33 H new ATOM 0 HE3 LYS A 83 8.500 -14.622 -1.645 1.00 54.33 H new ATOM 0 HZ1 LYS A 83 8.993 -15.752 0.405 1.00 22.21 H new ATOM 0 HZ2 LYS A 83 8.280 -14.251 0.754 1.00 22.21 H new ATOM 0 HZ3 LYS A 83 7.369 -15.678 0.897 1.00 22.21 H new ATOM 1386 N ALA A 84 1.176 -13.308 -2.650 1.00 52.32 N ATOM 1387 CA ALA A 84 -0.305 -13.197 -2.630 1.00 34.13 C ATOM 1388 C ALA A 84 -0.977 -14.050 -3.733 1.00 55.22 C ATOM 1389 O ALA A 84 -1.138 -13.608 -4.875 1.00 33.54 O ATOM 1390 CB ALA A 84 -0.748 -11.722 -2.717 1.00 50.13 C ATOM 0 H ALA A 84 1.645 -12.442 -2.916 1.00 52.32 H new ATOM 0 HA ALA A 84 -0.642 -13.600 -1.675 1.00 34.13 H new ATOM 0 HB1 ALA A 84 -1.837 -11.667 -2.701 1.00 50.13 H new ATOM 0 HB2 ALA A 84 -0.344 -11.170 -1.868 1.00 50.13 H new ATOM 0 HB3 ALA A 84 -0.377 -11.285 -3.644 1.00 50.13 H new ATOM 1396 N GLY A 85 -1.337 -15.290 -3.364 1.00 73.10 N ATOM 1397 CA GLY A 85 -2.008 -16.234 -4.266 1.00 33.01 C ATOM 1398 C GLY A 85 -2.106 -17.639 -3.663 1.00 41.02 C ATOM 1399 O GLY A 85 -2.163 -17.791 -2.433 1.00 52.33 O ATOM 0 H GLY A 85 -1.170 -15.665 -2.430 1.00 73.10 H new ATOM 0 HA2 GLY A 85 -3.009 -15.867 -4.494 1.00 33.01 H new ATOM 0 HA3 GLY A 85 -1.464 -16.282 -5.209 1.00 33.01 H new ATOM 1403 N SER A 86 -2.136 -18.671 -4.528 1.00 42.15 N ATOM 1404 CA SER A 86 -2.221 -20.092 -4.101 1.00 12.11 C ATOM 1405 C SER A 86 -1.635 -21.042 -5.171 1.00 54.25 C ATOM 1406 O SER A 86 -1.465 -20.645 -6.329 1.00 41.21 O ATOM 1407 CB SER A 86 -3.697 -20.466 -3.791 1.00 72.32 C ATOM 1408 OG SER A 86 -3.833 -21.819 -3.371 1.00 55.14 O ATOM 0 H SER A 86 -2.102 -18.550 -5.540 1.00 42.15 H new ATOM 0 HA SER A 86 -1.625 -20.209 -3.196 1.00 12.11 H new ATOM 0 HB2 SER A 86 -4.081 -19.806 -3.014 1.00 72.32 H new ATOM 0 HB3 SER A 86 -4.306 -20.300 -4.680 1.00 72.32 H new ATOM 0 HG SER A 86 -4.776 -22.011 -3.185 1.00 55.14 H new ATOM 1414 N LEU A 87 -1.300 -22.289 -4.742 1.00 31.20 N ATOM 1415 CA LEU A 87 -0.819 -23.391 -5.632 1.00 33.00 C ATOM 1416 C LEU A 87 0.596 -23.109 -6.257 1.00 54.53 C ATOM 1417 O LEU A 87 1.055 -23.835 -7.146 1.00 21.05 O ATOM 1418 CB LEU A 87 -1.911 -23.707 -6.722 1.00 13.12 C ATOM 1419 CG LEU A 87 -1.680 -24.950 -7.652 1.00 4.24 C ATOM 1420 CD1 LEU A 87 -1.590 -26.264 -6.842 1.00 52.21 C ATOM 1421 CD2 LEU A 87 -2.770 -25.038 -8.747 1.00 31.01 C ATOM 0 H LEU A 87 -1.355 -22.564 -3.761 1.00 31.20 H new ATOM 0 HA LEU A 87 -0.676 -24.280 -5.017 1.00 33.00 H new ATOM 0 HB2 LEU A 87 -2.864 -23.844 -6.211 1.00 13.12 H new ATOM 0 HB3 LEU A 87 -2.013 -22.828 -7.358 1.00 13.12 H new ATOM 0 HG LEU A 87 -0.719 -24.811 -8.147 1.00 4.24 H new ATOM 0 HD11 LEU A 87 -1.430 -27.101 -7.522 1.00 52.21 H new ATOM 0 HD12 LEU A 87 -0.758 -26.203 -6.140 1.00 52.21 H new ATOM 0 HD13 LEU A 87 -2.518 -26.416 -6.292 1.00 52.21 H new ATOM 0 HD21 LEU A 87 -2.584 -25.909 -9.376 1.00 31.01 H new ATOM 0 HD22 LEU A 87 -3.750 -25.131 -8.278 1.00 31.01 H new ATOM 0 HD23 LEU A 87 -2.745 -24.136 -9.359 1.00 31.01 H new ATOM 1433 N VAL A 88 1.313 -22.095 -5.740 1.00 63.55 N ATOM 1434 CA VAL A 88 2.649 -21.699 -6.263 1.00 53.33 C ATOM 1435 C VAL A 88 3.815 -22.462 -5.535 1.00 25.30 C ATOM 1436 O VAL A 88 4.033 -22.278 -4.332 1.00 73.13 O ATOM 1437 CB VAL A 88 2.844 -20.129 -6.188 1.00 52.31 C ATOM 1438 CG1 VAL A 88 2.574 -19.562 -4.767 1.00 63.41 C ATOM 1439 CG2 VAL A 88 4.244 -19.705 -6.709 1.00 32.14 C ATOM 0 H VAL A 88 0.994 -21.527 -4.955 1.00 63.55 H new ATOM 0 HA VAL A 88 2.689 -21.991 -7.312 1.00 53.33 H new ATOM 0 HB VAL A 88 2.094 -19.691 -6.847 1.00 52.31 H new ATOM 0 HG11 VAL A 88 2.722 -18.482 -4.772 1.00 63.41 H new ATOM 0 HG12 VAL A 88 1.548 -19.786 -4.475 1.00 63.41 H new ATOM 0 HG13 VAL A 88 3.262 -20.019 -4.056 1.00 63.41 H new ATOM 0 HG21 VAL A 88 4.344 -18.622 -6.643 1.00 32.14 H new ATOM 0 HG22 VAL A 88 5.016 -20.178 -6.103 1.00 32.14 H new ATOM 0 HG23 VAL A 88 4.356 -20.017 -7.747 1.00 32.14 H new ATOM 1449 N PRO A 89 4.557 -23.380 -6.252 1.00 51.41 N ATOM 1450 CA PRO A 89 5.706 -24.126 -5.684 1.00 21.21 C ATOM 1451 C PRO A 89 7.096 -23.531 -6.056 1.00 60.44 C ATOM 1452 O PRO A 89 7.184 -22.470 -6.689 1.00 24.11 O ATOM 1453 CB PRO A 89 5.494 -25.509 -6.344 1.00 52.01 C ATOM 1454 CG PRO A 89 5.015 -25.184 -7.738 1.00 22.20 C ATOM 1455 CD PRO A 89 4.306 -23.827 -7.655 1.00 54.21 C ATOM 0 HA PRO A 89 5.726 -24.117 -4.594 1.00 21.21 H new ATOM 0 HB2 PRO A 89 6.418 -26.086 -6.365 1.00 52.01 H new ATOM 0 HB3 PRO A 89 4.760 -26.102 -5.799 1.00 52.01 H new ATOM 0 HG2 PRO A 89 5.852 -25.141 -8.435 1.00 22.20 H new ATOM 0 HG3 PRO A 89 4.335 -25.954 -8.103 1.00 22.20 H new ATOM 0 HD2 PRO A 89 4.710 -23.119 -8.379 1.00 54.21 H new ATOM 0 HD3 PRO A 89 3.240 -23.919 -7.861 1.00 54.21 H new ATOM 1463 N ARG A 90 8.168 -24.242 -5.623 1.00 1.35 N ATOM 1464 CA ARG A 90 9.588 -23.977 -6.002 1.00 0.23 C ATOM 1465 C ARG A 90 10.045 -22.512 -5.711 1.00 22.41 C ATOM 1466 O ARG A 90 10.873 -21.946 -6.442 1.00 51.11 O ATOM 1467 CB ARG A 90 9.825 -24.349 -7.498 1.00 72.11 C ATOM 1468 CG ARG A 90 9.438 -25.798 -7.870 1.00 73.33 C ATOM 1469 CD ARG A 90 9.776 -26.149 -9.332 1.00 75.53 C ATOM 1470 NE ARG A 90 9.301 -27.491 -9.713 1.00 42.13 N ATOM 1471 CZ ARG A 90 10.009 -28.604 -9.661 1.00 22.34 C ATOM 1472 NH1 ARG A 90 11.227 -28.613 -9.221 1.00 61.52 N ATOM 1473 NH2 ARG A 90 9.472 -29.712 -10.051 1.00 32.31 N ATOM 0 H ARG A 90 8.072 -25.033 -4.987 1.00 1.35 H new ATOM 0 HA ARG A 90 10.206 -24.614 -5.369 1.00 0.23 H new ATOM 0 HB2 ARG A 90 9.255 -23.663 -8.124 1.00 72.11 H new ATOM 0 HB3 ARG A 90 10.878 -24.196 -7.734 1.00 72.11 H new ATOM 0 HG2 ARG A 90 9.956 -26.490 -7.206 1.00 73.33 H new ATOM 0 HG3 ARG A 90 8.370 -25.938 -7.705 1.00 73.33 H new ATOM 0 HD2 ARG A 90 9.329 -25.407 -9.993 1.00 75.53 H new ATOM 0 HD3 ARG A 90 10.855 -26.094 -9.476 1.00 75.53 H new ATOM 0 HE ARG A 90 8.340 -27.567 -10.046 1.00 42.13 H new ATOM 0 HH11 ARG A 90 11.661 -27.746 -8.904 1.00 61.52 H new ATOM 0 HH12 ARG A 90 11.752 -29.487 -9.191 1.00 61.52 H new ATOM 0 HH21 ARG A 90 8.512 -29.720 -10.394 1.00 32.31 H new ATOM 0 HH22 ARG A 90 10.008 -30.579 -10.016 1.00 32.31 H new ATOM 1487 N GLY A 91 9.522 -21.925 -4.615 1.00 33.34 N ATOM 1488 CA GLY A 91 9.804 -20.525 -4.254 1.00 43.21 C ATOM 1489 C GLY A 91 11.127 -20.334 -3.498 1.00 11.20 C ATOM 1490 O GLY A 91 11.123 -20.110 -2.279 1.00 40.31 O ATOM 0 H GLY A 91 8.900 -22.403 -3.964 1.00 33.34 H new ATOM 0 HA2 GLY A 91 9.825 -19.923 -5.162 1.00 43.21 H new ATOM 0 HA3 GLY A 91 8.987 -20.147 -3.639 1.00 43.21 H new ATOM 1494 N SER A 92 12.255 -20.450 -4.238 1.00 63.33 N ATOM 1495 CA SER A 92 13.638 -20.183 -3.736 1.00 73.21 C ATOM 1496 C SER A 92 14.130 -21.181 -2.649 1.00 21.22 C ATOM 1497 O SER A 92 13.342 -21.888 -2.007 1.00 32.23 O ATOM 1498 CB SER A 92 13.785 -18.718 -3.232 1.00 4.15 C ATOM 1499 OG SER A 92 13.549 -17.781 -4.276 1.00 34.30 O ATOM 0 H SER A 92 12.237 -20.736 -5.217 1.00 63.33 H new ATOM 0 HA SER A 92 14.285 -20.335 -4.600 1.00 73.21 H new ATOM 0 HB2 SER A 92 13.083 -18.540 -2.417 1.00 4.15 H new ATOM 0 HB3 SER A 92 14.787 -18.570 -2.828 1.00 4.15 H new ATOM 0 HG SER A 92 13.647 -16.871 -3.927 1.00 34.30 H new ATOM 1505 N TYR A 93 15.463 -21.225 -2.463 1.00 53.51 N ATOM 1506 CA TYR A 93 16.122 -22.083 -1.452 1.00 42.22 C ATOM 1507 C TYR A 93 16.194 -21.353 -0.087 1.00 51.12 C ATOM 1508 O TYR A 93 17.116 -20.568 0.173 1.00 0.10 O ATOM 1509 CB TYR A 93 17.539 -22.510 -1.942 1.00 73.44 C ATOM 1510 CG TYR A 93 17.531 -23.418 -3.192 1.00 11.32 C ATOM 1511 CD1 TYR A 93 17.163 -22.920 -4.449 1.00 50.12 C ATOM 1512 CD2 TYR A 93 17.873 -24.774 -3.111 1.00 43.40 C ATOM 1513 CE1 TYR A 93 17.149 -23.731 -5.566 1.00 4.24 C ATOM 1514 CE2 TYR A 93 17.861 -25.587 -4.231 1.00 35.41 C ATOM 1515 CZ TYR A 93 17.495 -25.061 -5.453 1.00 20.24 C ATOM 1516 OH TYR A 93 17.482 -25.869 -6.569 1.00 42.00 O ATOM 0 H TYR A 93 16.118 -20.666 -3.010 1.00 53.51 H new ATOM 0 HA TYR A 93 15.528 -22.987 -1.317 1.00 42.22 H new ATOM 0 HB2 TYR A 93 18.120 -21.614 -2.161 1.00 73.44 H new ATOM 0 HB3 TYR A 93 18.049 -23.031 -1.132 1.00 73.44 H new ATOM 0 HD1 TYR A 93 16.885 -21.881 -4.546 1.00 50.12 H new ATOM 0 HD2 TYR A 93 18.152 -25.193 -2.156 1.00 43.40 H new ATOM 0 HE1 TYR A 93 16.868 -23.325 -6.526 1.00 4.24 H new ATOM 0 HE2 TYR A 93 18.137 -26.628 -4.149 1.00 35.41 H new ATOM 0 HH TYR A 93 17.752 -26.777 -6.319 1.00 42.00 H new ATOM 1526 N LEU A 94 15.184 -21.593 0.767 1.00 41.11 N ATOM 1527 CA LEU A 94 15.078 -20.960 2.100 1.00 14.25 C ATOM 1528 C LEU A 94 15.987 -21.719 3.114 1.00 61.24 C ATOM 1529 O LEU A 94 15.550 -22.681 3.770 1.00 1.24 O ATOM 1530 CB LEU A 94 13.576 -20.934 2.561 1.00 74.51 C ATOM 1531 CG LEU A 94 13.079 -19.647 3.304 1.00 22.23 C ATOM 1532 CD1 LEU A 94 11.596 -19.785 3.712 1.00 32.53 C ATOM 1533 CD2 LEU A 94 13.955 -19.305 4.526 1.00 24.42 C ATOM 0 H LEU A 94 14.416 -22.231 0.556 1.00 41.11 H new ATOM 0 HA LEU A 94 15.424 -19.928 2.051 1.00 14.25 H new ATOM 0 HB2 LEU A 94 12.950 -21.080 1.681 1.00 74.51 H new ATOM 0 HB3 LEU A 94 13.409 -21.789 3.216 1.00 74.51 H new ATOM 0 HG LEU A 94 13.169 -18.818 2.603 1.00 22.23 H new ATOM 0 HD11 LEU A 94 11.274 -18.879 4.226 1.00 32.53 H new ATOM 0 HD12 LEU A 94 10.986 -19.933 2.821 1.00 32.53 H new ATOM 0 HD13 LEU A 94 11.480 -20.640 4.377 1.00 32.53 H new ATOM 0 HD21 LEU A 94 13.572 -18.406 5.008 1.00 24.42 H new ATOM 0 HD22 LEU A 94 13.932 -20.134 5.233 1.00 24.42 H new ATOM 0 HD23 LEU A 94 14.981 -19.133 4.201 1.00 24.42 H new ATOM 1545 N GLU A 95 17.256 -21.288 3.196 1.00 24.43 N ATOM 1546 CA GLU A 95 18.283 -21.925 4.055 1.00 51.21 C ATOM 1547 C GLU A 95 18.008 -21.664 5.556 1.00 44.15 C ATOM 1548 O GLU A 95 17.843 -22.606 6.345 1.00 35.32 O ATOM 1549 CB GLU A 95 19.688 -21.402 3.663 1.00 14.53 C ATOM 1550 CG GLU A 95 20.066 -21.633 2.186 1.00 22.25 C ATOM 1551 CD GLU A 95 21.487 -21.157 1.850 1.00 32.31 C ATOM 1552 OE1 GLU A 95 22.442 -21.952 1.992 1.00 71.14 O ATOM 1553 OE2 GLU A 95 21.659 -19.984 1.457 1.00 25.23 O ATOM 0 H GLU A 95 17.605 -20.487 2.670 1.00 24.43 H new ATOM 0 HA GLU A 95 18.241 -23.003 3.897 1.00 51.21 H new ATOM 0 HB2 GLU A 95 19.736 -20.334 3.875 1.00 14.53 H new ATOM 0 HB3 GLU A 95 20.432 -21.886 4.296 1.00 14.53 H new ATOM 0 HG2 GLU A 95 19.981 -22.695 1.956 1.00 22.25 H new ATOM 0 HG3 GLU A 95 19.353 -21.111 1.548 1.00 22.25 H new ATOM 1560 N HIS A 96 17.947 -20.373 5.927 1.00 3.24 N ATOM 1561 CA HIS A 96 17.661 -19.928 7.307 1.00 73.30 C ATOM 1562 C HIS A 96 16.126 -19.941 7.551 1.00 52.32 C ATOM 1563 O HIS A 96 15.479 -18.893 7.631 1.00 54.54 O ATOM 1564 CB HIS A 96 18.258 -18.507 7.543 1.00 64.43 C ATOM 1565 CG HIS A 96 19.705 -18.371 7.136 1.00 0.13 C ATOM 1566 ND1 HIS A 96 20.107 -17.734 5.981 1.00 45.20 N ATOM 1567 CD2 HIS A 96 20.848 -18.781 7.739 1.00 13.52 C ATOM 1568 CE1 HIS A 96 21.420 -17.769 5.892 1.00 1.04 C ATOM 1569 NE2 HIS A 96 21.895 -18.394 6.944 1.00 31.20 N ATOM 0 H HIS A 96 18.095 -19.602 5.275 1.00 3.24 H new ATOM 0 HA HIS A 96 18.128 -20.611 8.017 1.00 73.30 H new ATOM 0 HB2 HIS A 96 17.666 -17.779 6.988 1.00 64.43 H new ATOM 0 HB3 HIS A 96 18.164 -18.256 8.599 1.00 64.43 H new ATOM 0 HD2 HIS A 96 20.920 -19.315 8.675 1.00 13.52 H new ATOM 0 HE1 HIS A 96 22.008 -17.353 5.088 1.00 1.04 H new ATOM 0 HE2 HIS A 96 22.882 -18.564 7.138 1.00 31.20 H new ATOM 1578 N HIS A 97 15.544 -21.154 7.614 1.00 1.43 N ATOM 1579 CA HIS A 97 14.072 -21.345 7.676 1.00 31.45 C ATOM 1580 C HIS A 97 13.533 -21.333 9.131 1.00 52.50 C ATOM 1581 O HIS A 97 12.502 -20.708 9.408 1.00 21.03 O ATOM 1582 CB HIS A 97 13.670 -22.640 6.910 1.00 72.03 C ATOM 1583 CG HIS A 97 14.389 -23.896 7.339 1.00 10.30 C ATOM 1584 ND1 HIS A 97 15.572 -24.316 6.767 1.00 72.22 N ATOM 1585 CD2 HIS A 97 14.084 -24.826 8.277 1.00 64.42 C ATOM 1586 CE1 HIS A 97 15.956 -25.443 7.328 1.00 65.34 C ATOM 1587 NE2 HIS A 97 15.073 -25.777 8.247 1.00 11.13 N ATOM 0 H HIS A 97 16.072 -22.027 7.624 1.00 1.43 H new ATOM 0 HA HIS A 97 13.601 -20.495 7.182 1.00 31.45 H new ATOM 0 HB2 HIS A 97 12.598 -22.796 7.032 1.00 72.03 H new ATOM 0 HB3 HIS A 97 13.851 -22.484 5.847 1.00 72.03 H new ATOM 0 HD1 HIS A 97 16.072 -23.828 6.024 1.00 72.22 H new ATOM 0 HD2 HIS A 97 13.222 -24.820 8.928 1.00 64.42 H new ATOM 0 HE1 HIS A 97 16.846 -26.001 7.077 1.00 65.34 H new ATOM 1596 N HIS A 98 14.248 -22.027 10.048 1.00 45.00 N ATOM 1597 CA HIS A 98 13.857 -22.137 11.476 1.00 51.34 C ATOM 1598 C HIS A 98 14.957 -22.849 12.304 1.00 62.41 C ATOM 1599 O HIS A 98 15.599 -23.782 11.810 1.00 15.41 O ATOM 1600 CB HIS A 98 12.506 -22.895 11.630 1.00 1.12 C ATOM 1601 CG HIS A 98 11.901 -22.797 13.008 1.00 45.23 C ATOM 1602 ND1 HIS A 98 12.011 -23.781 13.960 1.00 70.53 N ATOM 1603 CD2 HIS A 98 11.204 -21.797 13.595 1.00 61.33 C ATOM 1604 CE1 HIS A 98 11.419 -23.395 15.063 1.00 51.15 C ATOM 1605 NE2 HIS A 98 10.921 -22.195 14.873 1.00 31.21 N ATOM 0 H HIS A 98 15.109 -22.525 9.821 1.00 45.00 H new ATOM 0 HA HIS A 98 13.735 -21.123 11.858 1.00 51.34 H new ATOM 0 HB2 HIS A 98 11.795 -22.501 10.904 1.00 1.12 H new ATOM 0 HB3 HIS A 98 12.661 -23.946 11.386 1.00 1.12 H new ATOM 0 HD1 HIS A 98 12.482 -24.676 13.828 1.00 70.53 H new ATOM 0 HD2 HIS A 98 10.923 -20.859 13.139 1.00 61.33 H new ATOM 0 HE1 HIS A 98 11.352 -23.968 15.976 1.00 51.15 H new ATOM 1614 N HIS A 99 15.138 -22.414 13.572 1.00 31.30 N ATOM 1615 CA HIS A 99 16.074 -23.059 14.533 1.00 33.44 C ATOM 1616 C HIS A 99 15.521 -24.429 15.033 1.00 1.23 C ATOM 1617 O HIS A 99 14.434 -24.853 14.634 1.00 3.10 O ATOM 1618 CB HIS A 99 16.325 -22.111 15.733 1.00 5.44 C ATOM 1619 CG HIS A 99 17.026 -20.823 15.377 1.00 62.33 C ATOM 1620 ND1 HIS A 99 16.374 -19.615 15.262 1.00 44.05 N ATOM 1621 CD2 HIS A 99 18.335 -20.557 15.133 1.00 4.12 C ATOM 1622 CE1 HIS A 99 17.239 -18.672 14.963 1.00 55.43 C ATOM 1623 NE2 HIS A 99 18.435 -19.211 14.884 1.00 4.22 N ATOM 0 H HIS A 99 14.644 -21.610 13.960 1.00 31.30 H new ATOM 0 HA HIS A 99 17.015 -23.250 14.018 1.00 33.44 H new ATOM 0 HB2 HIS A 99 15.368 -21.873 16.198 1.00 5.44 H new ATOM 0 HB3 HIS A 99 16.919 -22.639 16.479 1.00 5.44 H new ATOM 0 HD2 HIS A 99 19.146 -21.271 15.135 1.00 4.12 H new ATOM 0 HE1 HIS A 99 17.006 -17.629 14.808 1.00 55.43 H new ATOM 0 HE2 HIS A 99 19.298 -18.710 14.672 1.00 4.22 H new ATOM 1632 N HIS A 100 16.275 -25.115 15.912 1.00 44.04 N ATOM 1633 CA HIS A 100 15.868 -26.438 16.451 1.00 4.25 C ATOM 1634 C HIS A 100 16.504 -26.732 17.834 1.00 53.23 C ATOM 1635 O HIS A 100 17.711 -26.570 18.029 1.00 10.31 O ATOM 1636 CB HIS A 100 16.185 -27.576 15.435 1.00 60.53 C ATOM 1637 CG HIS A 100 17.569 -27.528 14.825 1.00 44.22 C ATOM 1638 ND1 HIS A 100 17.794 -27.127 13.529 1.00 41.42 N ATOM 1639 CD2 HIS A 100 18.792 -27.838 15.330 1.00 31.30 C ATOM 1640 CE1 HIS A 100 19.076 -27.200 13.259 1.00 32.22 C ATOM 1641 NE2 HIS A 100 19.707 -27.626 14.330 1.00 11.50 N ATOM 0 H HIS A 100 17.170 -24.780 16.268 1.00 44.04 H new ATOM 0 HA HIS A 100 14.789 -26.402 16.600 1.00 4.25 H new ATOM 0 HB2 HIS A 100 16.060 -28.535 15.938 1.00 60.53 H new ATOM 0 HB3 HIS A 100 15.450 -27.539 14.631 1.00 60.53 H new ATOM 0 HD2 HIS A 100 19.004 -28.186 16.330 1.00 31.30 H new ATOM 0 HE1 HIS A 100 19.536 -26.951 12.314 1.00 32.22 H new ATOM 0 HE2 HIS A 100 20.713 -27.775 14.406 1.00 11.50 H new ATOM 1650 N HIS A 101 15.655 -27.157 18.786 1.00 31.42 N ATOM 1651 CA HIS A 101 16.064 -27.595 20.142 1.00 10.22 C ATOM 1652 C HIS A 101 15.810 -29.122 20.308 1.00 71.02 C ATOM 1653 O HIS A 101 16.784 -29.894 20.451 1.00 37.19 O ATOM 1654 CB HIS A 101 15.293 -26.776 21.219 1.00 35.14 C ATOM 1655 CG HIS A 101 15.728 -25.333 21.317 1.00 4.42 C ATOM 1656 ND1 HIS A 101 16.629 -24.888 22.262 1.00 11.44 N ATOM 1657 CD2 HIS A 101 15.395 -24.241 20.585 1.00 64.01 C ATOM 1658 CE1 HIS A 101 16.829 -23.598 22.108 1.00 5.14 C ATOM 1659 NE2 HIS A 101 16.094 -23.179 21.098 1.00 74.42 N ATOM 1660 OXT HIS A 101 14.635 -29.545 20.261 1.00 37.19 O ATOM 0 H HIS A 101 14.647 -27.209 18.637 1.00 31.42 H new ATOM 0 HA HIS A 101 17.130 -27.413 20.275 1.00 10.22 H new ATOM 0 HB2 HIS A 101 14.227 -26.810 20.993 1.00 35.14 H new ATOM 0 HB3 HIS A 101 15.428 -27.253 22.190 1.00 35.14 H new ATOM 0 HD2 HIS A 101 14.707 -24.213 19.753 1.00 64.01 H new ATOM 0 HE1 HIS A 101 17.485 -22.985 22.708 1.00 5.14 H new ATOM 0 HE2 HIS A 101 16.052 -22.220 20.754 1.00 74.42 H new TER 1669 HIS A 101