USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 ASN : amide:sc= -1.05 K(o=-1.1,f=-1.9) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 32 SER OG : rot 110:sc= -0.793 USER MOD Single : A 1 SER N :NH3+ 142:sc= 0.413 (180deg=0.0223) USER MOD Single : A 1 SER OG : rot 180:sc= 0.149 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.146 K(o=-0.15,f=-3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.44 K(o=-1.4,f=-3!) USER MOD Single : A 31 THR OG1 : rot -101:sc= -0.182 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.352) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.61 X(o=-1.6,f=-2!) USER MOD Single : A 62 HIS : no HE2:sc= -13.9! C(o=-14!,f=-21!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 71 SER OG : rot 29:sc= 1.14 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -103:sc= -0.041 (180deg=-0.366) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -19.510 -1.726 4.803 1.00 0.00 N ATOM 2 CA SER A 1 -19.128 -0.896 3.625 1.00 0.00 C ATOM 3 C SER A 1 -17.737 -1.301 3.148 1.00 0.00 C ATOM 4 O SER A 1 -16.929 -1.823 3.917 1.00 0.00 O ATOM 5 CB SER A 1 -19.122 0.580 4.020 1.00 0.00 C ATOM 6 OG SER A 1 -20.129 0.808 4.998 1.00 0.00 O ATOM 0 H1 SER A 1 -20.030 -1.140 5.487 1.00 0.00 H new ATOM 0 H2 SER A 1 -20.114 -2.513 4.492 1.00 0.00 H new ATOM 0 H3 SER A 1 -18.653 -2.104 5.254 1.00 0.00 H new ATOM 0 HA SER A 1 -19.848 -1.053 2.822 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.145 0.859 4.415 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.301 1.204 3.144 1.00 0.00 H new ATOM 0 HG SER A 1 -20.127 1.754 5.255 1.00 0.00 H new ATOM 14 N LYS A 2 -17.466 -1.055 1.870 1.00 0.00 N ATOM 15 CA LYS A 2 -16.168 -1.397 1.296 1.00 0.00 C ATOM 16 C LYS A 2 -16.101 -0.957 -0.164 1.00 0.00 C ATOM 17 O LYS A 2 -15.079 -0.450 -0.628 1.00 0.00 O ATOM 18 CB LYS A 2 -15.928 -2.905 1.374 1.00 0.00 C ATOM 19 CG LYS A 2 -14.467 -3.207 1.035 1.00 0.00 C ATOM 20 CD LYS A 2 -14.378 -4.555 0.317 1.00 0.00 C ATOM 21 CE LYS A 2 -12.911 -4.884 0.028 1.00 0.00 C ATOM 22 NZ LYS A 2 -12.835 -6.076 -0.863 1.00 0.00 N ATOM 0 H LYS A 2 -18.121 -0.624 1.217 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.399 -0.879 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.164 -3.270 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -16.588 -3.426 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.059 -2.419 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.868 -3.228 1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.823 -5.337 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.944 -4.521 -0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.422 -4.032 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.381 -5.079 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.839 -6.300 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.286 -6.888 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.327 -5.873 -1.757 1.00 0.00 H new ATOM 36 N SER A 3 -17.204 -1.160 -0.883 1.00 0.00 N ATOM 37 CA SER A 3 -17.269 -0.784 -2.295 1.00 0.00 C ATOM 38 C SER A 3 -16.255 -1.584 -3.108 1.00 0.00 C ATOM 39 O SER A 3 -15.182 -1.933 -2.619 1.00 0.00 O ATOM 40 CB SER A 3 -16.985 0.709 -2.473 1.00 0.00 C ATOM 41 OG SER A 3 -17.408 1.117 -3.767 1.00 0.00 O ATOM 0 H SER A 3 -18.058 -1.579 -0.515 1.00 0.00 H new ATOM 0 HA SER A 3 -18.276 -1.003 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.508 1.284 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.920 0.906 -2.347 1.00 0.00 H new ATOM 0 HG SER A 3 -17.229 2.073 -3.883 1.00 0.00 H new ATOM 47 N MET A 4 -16.614 -1.872 -4.358 1.00 0.00 N ATOM 48 CA MET A 4 -15.731 -2.633 -5.241 1.00 0.00 C ATOM 49 C MET A 4 -15.436 -4.009 -4.648 1.00 0.00 C ATOM 50 O MET A 4 -14.611 -4.148 -3.745 1.00 0.00 O ATOM 51 CB MET A 4 -14.412 -1.889 -5.455 1.00 0.00 C ATOM 52 CG MET A 4 -14.644 -0.692 -6.378 1.00 0.00 C ATOM 53 SD MET A 4 -13.073 -0.190 -7.122 1.00 0.00 S ATOM 54 CE MET A 4 -12.793 1.275 -6.097 1.00 0.00 C ATOM 0 H MET A 4 -17.500 -1.594 -4.779 1.00 0.00 H new ATOM 0 HA MET A 4 -16.238 -2.752 -6.198 1.00 0.00 H new ATOM 0 HB2 MET A 4 -14.013 -1.552 -4.498 1.00 0.00 H new ATOM 0 HB3 MET A 4 -13.671 -2.559 -5.891 1.00 0.00 H new ATOM 0 HG2 MET A 4 -15.360 -0.953 -7.157 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.073 0.137 -5.815 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.858 1.751 -6.391 1.00 0.00 H new ATOM 0 HE2 MET A 4 -13.616 1.977 -6.233 1.00 0.00 H new ATOM 0 HE3 MET A 4 -12.737 0.981 -5.049 1.00 0.00 H new ATOM 64 N GLN A 5 -16.123 -5.023 -5.166 1.00 0.00 N ATOM 65 CA GLN A 5 -15.930 -6.388 -4.682 1.00 0.00 C ATOM 66 C GLN A 5 -16.399 -7.397 -5.727 1.00 0.00 C ATOM 67 O GLN A 5 -16.939 -8.452 -5.395 1.00 0.00 O ATOM 68 CB GLN A 5 -16.710 -6.609 -3.384 1.00 0.00 C ATOM 69 CG GLN A 5 -16.078 -7.760 -2.599 1.00 0.00 C ATOM 70 CD GLN A 5 -17.118 -8.371 -1.666 1.00 0.00 C ATOM 71 OE1 GLN A 5 -17.916 -9.211 -2.082 1.00 0.00 O ATOM 72 NE2 GLN A 5 -17.158 -7.997 -0.417 1.00 0.00 N ATOM 0 H GLN A 5 -16.811 -4.929 -5.913 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.866 -6.532 -4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.704 -5.699 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.752 -6.836 -3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.700 -8.518 -3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -15.226 -7.397 -2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.497 -7.301 -0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.850 -8.401 0.214 1.00 0.00 H new ATOM 81 N VAL A 6 -16.187 -7.058 -6.996 1.00 0.00 N ATOM 82 CA VAL A 6 -16.592 -7.939 -8.086 1.00 0.00 C ATOM 83 C VAL A 6 -15.663 -9.173 -8.136 1.00 0.00 C ATOM 84 O VAL A 6 -16.122 -10.295 -7.926 1.00 0.00 O ATOM 85 CB VAL A 6 -16.593 -7.148 -9.419 1.00 0.00 C ATOM 86 CG1 VAL A 6 -16.475 -8.078 -10.638 1.00 0.00 C ATOM 87 CG2 VAL A 6 -17.904 -6.369 -9.524 1.00 0.00 C ATOM 0 H VAL A 6 -15.742 -6.189 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 6 -17.606 -8.303 -7.918 1.00 0.00 H new ATOM 0 HB VAL A 6 -15.732 -6.480 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -16.480 -7.483 -11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.544 -8.642 -10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -17.318 -8.769 -10.651 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -17.919 -5.807 -10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -18.743 -7.065 -9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -17.986 -5.679 -8.684 1.00 0.00 H new ATOM 97 N PRO A 7 -14.357 -8.990 -8.398 1.00 0.00 N ATOM 98 CA PRO A 7 -13.412 -10.129 -8.447 1.00 0.00 C ATOM 99 C PRO A 7 -13.128 -10.713 -7.065 1.00 0.00 C ATOM 100 O PRO A 7 -13.682 -10.266 -6.060 1.00 0.00 O ATOM 101 CB PRO A 7 -12.157 -9.494 -9.034 1.00 0.00 C ATOM 102 CG PRO A 7 -12.246 -8.007 -8.740 1.00 0.00 C ATOM 103 CD PRO A 7 -13.735 -7.670 -8.658 1.00 0.00 C ATOM 0 HA PRO A 7 -13.800 -10.968 -9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.260 -9.924 -8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.097 -9.674 -10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.741 -7.765 -7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.759 -7.427 -9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.945 -6.959 -7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.101 -7.226 -9.584 1.00 0.00 H new ATOM 111 N PHE A 8 -12.256 -11.718 -7.027 1.00 0.00 N ATOM 112 CA PHE A 8 -11.903 -12.359 -5.763 1.00 0.00 C ATOM 113 C PHE A 8 -10.464 -12.864 -5.801 1.00 0.00 C ATOM 114 O PHE A 8 -10.130 -13.878 -5.187 1.00 0.00 O ATOM 115 CB PHE A 8 -12.838 -13.536 -5.473 1.00 0.00 C ATOM 116 CG PHE A 8 -12.853 -14.473 -6.654 1.00 0.00 C ATOM 117 CD1 PHE A 8 -13.545 -14.118 -7.816 1.00 0.00 C ATOM 118 CD2 PHE A 8 -12.178 -15.696 -6.586 1.00 0.00 C ATOM 119 CE1 PHE A 8 -13.563 -14.987 -8.914 1.00 0.00 C ATOM 120 CE2 PHE A 8 -12.194 -16.567 -7.684 1.00 0.00 C ATOM 121 CZ PHE A 8 -12.887 -16.212 -8.847 1.00 0.00 C ATOM 0 H PHE A 8 -11.786 -12.102 -7.846 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.005 -11.614 -4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -12.506 -14.066 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -13.846 -13.172 -5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -14.066 -13.173 -7.867 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -11.645 -15.969 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.098 -14.713 -9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.672 -17.511 -7.633 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.901 -16.883 -9.693 1.00 0.00 H new ATOM 131 N SER A 9 -9.615 -12.145 -6.530 1.00 0.00 N ATOM 132 CA SER A 9 -8.209 -12.526 -6.642 1.00 0.00 C ATOM 133 C SER A 9 -7.330 -11.536 -5.885 1.00 0.00 C ATOM 134 O SER A 9 -6.777 -11.853 -4.831 1.00 0.00 O ATOM 135 CB SER A 9 -7.777 -12.559 -8.108 1.00 0.00 C ATOM 136 OG SER A 9 -8.465 -13.608 -8.777 1.00 0.00 O ATOM 0 H SER A 9 -9.871 -11.304 -7.047 1.00 0.00 H new ATOM 0 HA SER A 9 -8.093 -13.520 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.995 -11.603 -8.585 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.700 -12.712 -8.178 1.00 0.00 H new ATOM 0 HG SER A 9 -8.191 -13.631 -9.718 1.00 0.00 H new ATOM 142 N ARG A 10 -7.211 -10.328 -6.433 1.00 0.00 N ATOM 143 CA ARG A 10 -6.400 -9.288 -5.804 1.00 0.00 C ATOM 144 C ARG A 10 -4.944 -9.737 -5.690 1.00 0.00 C ATOM 145 O ARG A 10 -4.573 -10.818 -6.147 1.00 0.00 O ATOM 146 CB ARG A 10 -6.942 -8.959 -4.407 1.00 0.00 C ATOM 147 CG ARG A 10 -7.779 -7.678 -4.464 1.00 0.00 C ATOM 148 CD ARG A 10 -6.850 -6.464 -4.500 1.00 0.00 C ATOM 149 NE ARG A 10 -7.625 -5.224 -4.582 1.00 0.00 N ATOM 150 CZ ARG A 10 -8.230 -4.834 -5.714 1.00 0.00 C ATOM 151 NH1 ARG A 10 -8.154 -5.553 -6.808 1.00 0.00 N ATOM 152 NH2 ARG A 10 -8.906 -3.717 -5.727 1.00 0.00 N ATOM 0 H ARG A 10 -7.662 -10.047 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.450 -8.396 -6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.550 -9.785 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.116 -8.834 -3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.418 -7.687 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.436 -7.621 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.226 -6.451 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.180 -6.538 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.707 -4.638 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.628 -6.427 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.621 -5.239 -7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.970 -3.150 -4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.370 -3.411 -6.583 1.00 0.00 H new ATOM 166 N CYS A 11 -4.125 -8.884 -5.076 1.00 0.00 N ATOM 167 CA CYS A 11 -2.704 -9.185 -4.904 1.00 0.00 C ATOM 168 C CYS A 11 -2.033 -9.358 -6.264 1.00 0.00 C ATOM 169 O CYS A 11 -2.692 -9.635 -7.267 1.00 0.00 O ATOM 170 CB CYS A 11 -2.496 -10.471 -4.094 1.00 0.00 C ATOM 171 SG CYS A 11 -3.528 -10.463 -2.602 1.00 0.00 S ATOM 0 H CYS A 11 -4.418 -7.986 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.259 -8.348 -4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.742 -11.337 -4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.446 -10.566 -3.816 1.00 0.00 H new ATOM 176 N CYS A 12 -0.715 -9.195 -6.287 1.00 0.00 N ATOM 177 CA CYS A 12 0.041 -9.338 -7.528 1.00 0.00 C ATOM 178 C CYS A 12 1.088 -10.437 -7.390 1.00 0.00 C ATOM 179 O CYS A 12 1.216 -11.067 -6.340 1.00 0.00 O ATOM 180 CB CYS A 12 0.759 -8.036 -7.875 1.00 0.00 C ATOM 181 SG CYS A 12 -0.452 -6.755 -8.284 1.00 0.00 S ATOM 0 H CYS A 12 -0.151 -8.966 -5.469 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.667 -9.592 -8.317 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.372 -7.713 -7.034 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.432 -8.195 -8.718 1.00 0.00 H new ATOM 186 N PHE A 13 1.850 -10.643 -8.459 1.00 0.00 N ATOM 187 CA PHE A 13 2.904 -11.650 -8.451 1.00 0.00 C ATOM 188 C PHE A 13 4.218 -11.003 -8.037 1.00 0.00 C ATOM 189 O PHE A 13 4.907 -11.469 -7.129 1.00 0.00 O ATOM 190 CB PHE A 13 3.074 -12.265 -9.842 1.00 0.00 C ATOM 191 CG PHE A 13 3.458 -13.721 -9.711 1.00 0.00 C ATOM 192 CD1 PHE A 13 4.752 -14.070 -9.307 1.00 0.00 C ATOM 193 CD2 PHE A 13 2.519 -14.720 -9.995 1.00 0.00 C ATOM 194 CE1 PHE A 13 5.107 -15.419 -9.187 1.00 0.00 C ATOM 195 CE2 PHE A 13 2.874 -16.068 -9.875 1.00 0.00 C ATOM 196 CZ PHE A 13 4.168 -16.418 -9.470 1.00 0.00 C ATOM 0 H PHE A 13 1.758 -10.130 -9.336 1.00 0.00 H new ATOM 0 HA PHE A 13 2.628 -12.434 -7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.146 -12.173 -10.407 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.841 -11.725 -10.398 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.476 -13.299 -9.088 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.521 -14.450 -10.307 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.105 -15.689 -8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.150 -16.839 -10.095 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.442 -17.459 -9.376 1.00 0.00 H new ATOM 206 N SER A 14 4.550 -9.911 -8.720 1.00 0.00 N ATOM 207 CA SER A 14 5.776 -9.182 -8.430 1.00 0.00 C ATOM 208 C SER A 14 5.442 -7.788 -7.908 1.00 0.00 C ATOM 209 O SER A 14 4.781 -7.000 -8.585 1.00 0.00 O ATOM 210 CB SER A 14 6.632 -9.050 -9.688 1.00 0.00 C ATOM 211 OG SER A 14 7.483 -10.185 -9.797 1.00 0.00 O ATOM 0 H SER A 14 3.989 -9.515 -9.474 1.00 0.00 H new ATOM 0 HA SER A 14 6.332 -9.737 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.995 -8.972 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.227 -8.138 -9.643 1.00 0.00 H new ATOM 0 HG SER A 14 8.033 -10.105 -10.604 1.00 0.00 H new ATOM 217 N PHE A 15 5.897 -7.495 -6.695 1.00 0.00 N ATOM 218 CA PHE A 15 5.630 -6.193 -6.088 1.00 0.00 C ATOM 219 C PHE A 15 6.732 -5.199 -6.440 1.00 0.00 C ATOM 220 O PHE A 15 7.645 -5.505 -7.207 1.00 0.00 O ATOM 221 CB PHE A 15 5.541 -6.325 -4.560 1.00 0.00 C ATOM 222 CG PHE A 15 4.354 -7.186 -4.128 1.00 0.00 C ATOM 223 CD1 PHE A 15 3.478 -7.775 -5.064 1.00 0.00 C ATOM 224 CD2 PHE A 15 4.139 -7.397 -2.761 1.00 0.00 C ATOM 225 CE1 PHE A 15 2.408 -8.562 -4.630 1.00 0.00 C ATOM 226 CE2 PHE A 15 3.064 -8.184 -2.327 1.00 0.00 C ATOM 227 CZ PHE A 15 2.200 -8.766 -3.262 1.00 0.00 C ATOM 0 H PHE A 15 6.446 -8.131 -6.117 1.00 0.00 H new ATOM 0 HA PHE A 15 4.680 -5.828 -6.479 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.464 -6.763 -4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.451 -5.334 -4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.635 -7.617 -6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.805 -6.951 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.742 -9.013 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.902 -8.342 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.372 -9.373 -2.927 1.00 0.00 H new ATOM 237 N ALA A 16 6.631 -4.002 -5.869 1.00 0.00 N ATOM 238 CA ALA A 16 7.620 -2.958 -6.122 1.00 0.00 C ATOM 239 C ALA A 16 8.701 -2.970 -5.039 1.00 0.00 C ATOM 240 O ALA A 16 9.093 -1.926 -4.513 1.00 0.00 O ATOM 241 CB ALA A 16 6.943 -1.584 -6.149 1.00 0.00 C ATOM 0 H ALA A 16 5.881 -3.732 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 16 8.083 -3.153 -7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.691 -0.814 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.193 -1.564 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.463 -1.396 -5.188 1.00 0.00 H new ATOM 247 N GLU A 17 9.182 -4.166 -4.711 1.00 0.00 N ATOM 248 CA GLU A 17 10.216 -4.303 -3.688 1.00 0.00 C ATOM 249 C GLU A 17 11.586 -4.494 -4.331 1.00 0.00 C ATOM 250 O GLU A 17 12.454 -5.173 -3.783 1.00 0.00 O ATOM 251 CB GLU A 17 9.919 -5.503 -2.786 1.00 0.00 C ATOM 252 CG GLU A 17 8.965 -5.078 -1.668 1.00 0.00 C ATOM 253 CD GLU A 17 8.915 -6.165 -0.601 1.00 0.00 C ATOM 254 OE1 GLU A 17 9.967 -6.674 -0.251 1.00 0.00 O ATOM 255 OE2 GLU A 17 7.825 -6.475 -0.149 1.00 0.00 O ATOM 0 H GLU A 17 8.878 -5.044 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 17 10.220 -3.390 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.475 -6.309 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.845 -5.890 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.299 -4.138 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.968 -4.905 -2.073 1.00 0.00 H new ATOM 262 N GLN A 18 11.773 -3.885 -5.499 1.00 0.00 N ATOM 263 CA GLN A 18 13.047 -3.998 -6.203 1.00 0.00 C ATOM 264 C GLN A 18 13.880 -2.732 -6.001 1.00 0.00 C ATOM 265 O GLN A 18 14.839 -2.726 -5.229 1.00 0.00 O ATOM 266 CB GLN A 18 12.818 -4.248 -7.700 1.00 0.00 C ATOM 267 CG GLN A 18 14.159 -4.499 -8.397 1.00 0.00 C ATOM 268 CD GLN A 18 14.497 -5.983 -8.330 1.00 0.00 C ATOM 269 OE1 GLN A 18 14.265 -6.635 -7.313 1.00 0.00 O ATOM 270 NE2 GLN A 18 15.039 -6.564 -9.366 1.00 0.00 N ATOM 0 H GLN A 18 11.071 -3.317 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 18 13.592 -4.847 -5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.160 -5.106 -7.838 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.320 -3.389 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.107 -4.174 -9.436 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.945 -3.914 -7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.232 -6.025 -10.210 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.269 -7.557 -9.331 1.00 0.00 H new ATOM 279 N GLU A 19 13.505 -1.658 -6.698 1.00 0.00 N ATOM 280 CA GLU A 19 14.228 -0.390 -6.582 1.00 0.00 C ATOM 281 C GLU A 19 13.618 0.660 -7.516 1.00 0.00 C ATOM 282 O GLU A 19 14.286 1.187 -8.408 1.00 0.00 O ATOM 283 CB GLU A 19 15.712 -0.575 -6.933 1.00 0.00 C ATOM 284 CG GLU A 19 16.562 0.358 -6.069 1.00 0.00 C ATOM 285 CD GLU A 19 18.030 0.208 -6.450 1.00 0.00 C ATOM 286 OE1 GLU A 19 18.412 0.743 -7.477 1.00 0.00 O ATOM 287 OE2 GLU A 19 18.750 -0.440 -5.709 1.00 0.00 O ATOM 0 H GLU A 19 12.714 -1.640 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 19 14.145 -0.051 -5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.009 -1.611 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.876 -0.360 -7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.243 1.391 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.423 0.121 -5.014 1.00 0.00 H new ATOM 294 N ILE A 20 12.341 0.965 -7.301 1.00 0.00 N ATOM 295 CA ILE A 20 11.666 1.956 -8.133 1.00 0.00 C ATOM 296 C ILE A 20 11.599 3.310 -7.405 1.00 0.00 C ATOM 297 O ILE A 20 11.221 3.363 -6.235 1.00 0.00 O ATOM 298 CB ILE A 20 10.248 1.494 -8.492 1.00 0.00 C ATOM 299 CG1 ILE A 20 9.426 1.268 -7.216 1.00 0.00 C ATOM 300 CG2 ILE A 20 10.334 0.187 -9.285 1.00 0.00 C ATOM 301 CD1 ILE A 20 7.992 0.877 -7.588 1.00 0.00 C ATOM 0 H ILE A 20 11.762 0.549 -6.572 1.00 0.00 H new ATOM 0 HA ILE A 20 12.240 2.070 -9.052 1.00 0.00 H new ATOM 0 HB ILE A 20 9.760 2.262 -9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.882 0.483 -6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.421 2.174 -6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.330 -0.148 -9.544 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.908 0.352 -10.197 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.826 -0.574 -8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.411 0.717 -6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.537 1.676 -8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.006 -0.041 -8.176 1.00 0.00 H new ATOM 313 N PRO A 21 11.968 4.423 -8.068 1.00 0.00 N ATOM 314 CA PRO A 21 11.933 5.750 -7.432 1.00 0.00 C ATOM 315 C PRO A 21 10.567 6.427 -7.548 1.00 0.00 C ATOM 316 O PRO A 21 9.572 5.795 -7.903 1.00 0.00 O ATOM 317 CB PRO A 21 12.975 6.516 -8.235 1.00 0.00 C ATOM 318 CG PRO A 21 13.086 5.831 -9.595 1.00 0.00 C ATOM 319 CD PRO A 21 12.446 4.445 -9.470 1.00 0.00 C ATOM 0 HA PRO A 21 12.125 5.704 -6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.681 7.559 -8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.937 6.512 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.581 6.418 -10.362 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.130 5.745 -9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.627 4.313 -10.177 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.166 3.649 -9.663 1.00 0.00 H new ATOM 327 N LEU A 22 10.539 7.724 -7.250 1.00 0.00 N ATOM 328 CA LEU A 22 9.297 8.492 -7.328 1.00 0.00 C ATOM 329 C LEU A 22 9.059 9.004 -8.746 1.00 0.00 C ATOM 330 O LEU A 22 7.920 9.221 -9.150 1.00 0.00 O ATOM 331 CB LEU A 22 9.321 9.687 -6.363 1.00 0.00 C ATOM 332 CG LEU A 22 8.901 9.409 -4.910 1.00 0.00 C ATOM 333 CD1 LEU A 22 7.440 8.958 -4.880 1.00 0.00 C ATOM 334 CD2 LEU A 22 9.780 8.324 -4.286 1.00 0.00 C ATOM 0 H LEU A 22 11.354 8.262 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 22 8.487 7.820 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.331 10.096 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.667 10.462 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 22 9.021 10.326 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.141 8.761 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.808 9.742 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.328 8.049 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.463 8.145 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.684 7.403 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.820 8.649 -4.294 1.00 0.00 H new ATOM 346 N ARG A 23 10.136 9.190 -9.503 1.00 0.00 N ATOM 347 CA ARG A 23 9.996 9.667 -10.878 1.00 0.00 C ATOM 348 C ARG A 23 9.201 8.666 -11.724 1.00 0.00 C ATOM 349 O ARG A 23 8.691 9.009 -12.790 1.00 0.00 O ATOM 350 CB ARG A 23 11.367 9.895 -11.519 1.00 0.00 C ATOM 351 CG ARG A 23 12.225 8.639 -11.370 1.00 0.00 C ATOM 352 CD ARG A 23 13.354 8.655 -12.406 1.00 0.00 C ATOM 353 NE ARG A 23 14.613 9.099 -11.797 1.00 0.00 N ATOM 354 CZ ARG A 23 14.940 10.396 -11.683 1.00 0.00 C ATOM 355 NH1 ARG A 23 14.144 11.344 -12.115 1.00 0.00 N ATOM 356 NH2 ARG A 23 16.077 10.720 -11.132 1.00 0.00 N ATOM 0 H ARG A 23 11.095 9.023 -9.199 1.00 0.00 H new ATOM 0 HA ARG A 23 9.457 10.614 -10.843 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.249 10.142 -12.574 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.863 10.743 -11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.643 8.590 -10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.610 7.749 -11.503 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.481 7.658 -12.828 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.089 9.318 -13.229 1.00 0.00 H new ATOM 0 HE ARG A 23 15.264 8.396 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.253 11.103 -12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.416 12.322 -12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.706 9.992 -10.794 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.337 11.702 -11.039 1.00 0.00 H new ATOM 370 N ALA A 24 9.095 7.422 -11.240 1.00 0.00 N ATOM 371 CA ALA A 24 8.354 6.391 -11.964 1.00 0.00 C ATOM 372 C ALA A 24 6.965 6.204 -11.355 1.00 0.00 C ATOM 373 O ALA A 24 6.009 5.858 -12.048 1.00 0.00 O ATOM 374 CB ALA A 24 9.105 5.058 -11.909 1.00 0.00 C ATOM 0 H ALA A 24 9.509 7.111 -10.361 1.00 0.00 H new ATOM 0 HA ALA A 24 8.255 6.712 -13.001 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.541 4.300 -12.452 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.088 5.175 -12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.221 4.749 -10.870 1.00 0.00 H new ATOM 380 N ILE A 25 6.870 6.435 -10.047 1.00 0.00 N ATOM 381 CA ILE A 25 5.600 6.292 -9.341 1.00 0.00 C ATOM 382 C ILE A 25 4.916 7.655 -9.226 1.00 0.00 C ATOM 383 O ILE A 25 5.541 8.694 -9.423 1.00 0.00 O ATOM 384 CB ILE A 25 5.836 5.706 -7.941 1.00 0.00 C ATOM 385 CG1 ILE A 25 6.731 4.460 -8.050 1.00 0.00 C ATOM 386 CG2 ILE A 25 4.499 5.306 -7.317 1.00 0.00 C ATOM 387 CD1 ILE A 25 7.067 3.926 -6.651 1.00 0.00 C ATOM 0 H ILE A 25 7.653 6.720 -9.458 1.00 0.00 H new ATOM 0 HA ILE A 25 4.957 5.614 -9.902 1.00 0.00 H new ATOM 0 HB ILE A 25 6.321 6.456 -7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.224 3.689 -8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.649 4.708 -8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.671 4.891 -6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.858 6.184 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.014 4.558 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.701 3.044 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.593 4.695 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.146 3.660 -6.132 1.00 0.00 H new ATOM 399 N LEU A 26 3.621 7.643 -8.933 1.00 0.00 N ATOM 400 CA LEU A 26 2.868 8.894 -8.827 1.00 0.00 C ATOM 401 C LEU A 26 2.139 9.005 -7.492 1.00 0.00 C ATOM 402 O LEU A 26 2.092 10.073 -6.884 1.00 0.00 O ATOM 403 CB LEU A 26 1.841 8.986 -9.948 1.00 0.00 C ATOM 404 CG LEU A 26 2.420 9.310 -11.324 1.00 0.00 C ATOM 405 CD1 LEU A 26 1.336 9.133 -12.385 1.00 0.00 C ATOM 406 CD2 LEU A 26 2.923 10.757 -11.342 1.00 0.00 C ATOM 0 H LEU A 26 3.075 6.798 -8.766 1.00 0.00 H new ATOM 0 HA LEU A 26 3.588 9.709 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.305 8.039 -10.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.109 9.750 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 26 3.251 8.637 -11.536 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.747 9.364 -13.368 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.980 8.103 -12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.505 9.806 -12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.336 10.987 -12.324 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.095 11.433 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.697 10.883 -10.585 1.00 0.00 H new ATOM 418 N CYS A 27 1.547 7.900 -7.061 1.00 0.00 N ATOM 419 CA CYS A 27 0.792 7.894 -5.808 1.00 0.00 C ATOM 420 C CYS A 27 0.694 6.462 -5.266 1.00 0.00 C ATOM 421 O CYS A 27 0.803 5.494 -6.019 1.00 0.00 O ATOM 422 CB CYS A 27 -0.620 8.473 -6.078 1.00 0.00 C ATOM 423 SG CYS A 27 -1.750 8.207 -4.690 1.00 0.00 S ATOM 0 H CYS A 27 1.571 7.005 -7.550 1.00 0.00 H new ATOM 0 HA CYS A 27 1.298 8.506 -5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.540 9.541 -6.278 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.034 8.011 -6.974 1.00 0.00 H new ATOM 428 N TYR A 28 0.470 6.337 -3.953 1.00 0.00 N ATOM 429 CA TYR A 28 0.341 5.017 -3.342 1.00 0.00 C ATOM 430 C TYR A 28 -1.000 4.882 -2.611 1.00 0.00 C ATOM 431 O TYR A 28 -1.627 5.873 -2.237 1.00 0.00 O ATOM 432 CB TYR A 28 1.546 4.712 -2.415 1.00 0.00 C ATOM 433 CG TYR A 28 1.260 4.960 -0.939 1.00 0.00 C ATOM 434 CD1 TYR A 28 0.687 6.167 -0.517 1.00 0.00 C ATOM 435 CD2 TYR A 28 1.581 3.971 0.000 1.00 0.00 C ATOM 436 CE1 TYR A 28 0.435 6.382 0.844 1.00 0.00 C ATOM 437 CE2 TYR A 28 1.329 4.185 1.361 1.00 0.00 C ATOM 438 CZ TYR A 28 0.755 5.392 1.783 1.00 0.00 C ATOM 439 OH TYR A 28 0.506 5.604 3.123 1.00 0.00 O ATOM 0 H TYR A 28 0.376 7.120 -3.306 1.00 0.00 H new ATOM 0 HA TYR A 28 0.352 4.269 -4.135 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.842 3.672 -2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.393 5.326 -2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.440 6.930 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.024 3.042 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.007 7.312 1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.576 3.422 2.084 1.00 0.00 H new ATOM 0 HH TYR A 28 0.786 4.818 3.636 1.00 0.00 H new ATOM 449 N ARG A 29 -1.420 3.638 -2.415 1.00 0.00 N ATOM 450 CA ARG A 29 -2.681 3.368 -1.728 1.00 0.00 C ATOM 451 C ARG A 29 -2.703 1.937 -1.199 1.00 0.00 C ATOM 452 O ARG A 29 -2.264 1.005 -1.872 1.00 0.00 O ATOM 453 CB ARG A 29 -3.865 3.572 -2.677 1.00 0.00 C ATOM 454 CG ARG A 29 -3.675 2.715 -3.934 1.00 0.00 C ATOM 455 CD ARG A 29 -4.520 1.444 -3.824 1.00 0.00 C ATOM 456 NE ARG A 29 -5.946 1.775 -3.759 1.00 0.00 N ATOM 457 CZ ARG A 29 -6.625 2.213 -4.828 1.00 0.00 C ATOM 458 NH1 ARG A 29 -6.039 2.365 -5.992 1.00 0.00 N ATOM 459 NH2 ARG A 29 -7.895 2.494 -4.710 1.00 0.00 N ATOM 0 H ARG A 29 -0.913 2.806 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.766 4.064 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.795 3.300 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.946 4.624 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.966 3.281 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.623 2.455 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.330 0.799 -4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.230 0.884 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.438 1.669 -2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.048 2.148 -6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.575 2.700 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.361 2.379 -3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.421 2.828 -5.518 1.00 0.00 H new ATOM 473 N ASN A 30 -3.220 1.777 0.016 1.00 0.00 N ATOM 474 CA ASN A 30 -3.296 0.456 0.633 1.00 0.00 C ATOM 475 C ASN A 30 -4.519 -0.298 0.125 1.00 0.00 C ATOM 476 O ASN A 30 -5.620 0.247 0.059 1.00 0.00 O ATOM 477 CB ASN A 30 -3.385 0.578 2.155 1.00 0.00 C ATOM 478 CG ASN A 30 -2.725 -0.636 2.800 1.00 0.00 C ATOM 479 OD1 ASN A 30 -1.512 -0.817 2.701 1.00 0.00 O ATOM 480 ND2 ASN A 30 -3.460 -1.488 3.461 1.00 0.00 N ATOM 0 H ASN A 30 -3.589 2.537 0.588 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.392 -0.091 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.893 1.492 2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.428 0.646 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.029 -2.304 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.466 -1.338 3.543 1.00 0.00 H new ATOM 487 N THR A 31 -4.314 -1.565 -0.232 1.00 0.00 N ATOM 488 CA THR A 31 -5.411 -2.388 -0.730 1.00 0.00 C ATOM 489 C THR A 31 -6.046 -3.172 0.417 1.00 0.00 C ATOM 490 O THR A 31 -5.614 -3.080 1.565 1.00 0.00 O ATOM 491 CB THR A 31 -4.914 -3.362 -1.807 1.00 0.00 C ATOM 492 OG1 THR A 31 -5.994 -4.173 -2.245 1.00 0.00 O ATOM 493 CG2 THR A 31 -3.804 -4.251 -1.240 1.00 0.00 C ATOM 0 H THR A 31 -3.411 -2.037 -0.186 1.00 0.00 H new ATOM 0 HA THR A 31 -6.157 -1.728 -1.172 1.00 0.00 H new ATOM 0 HB THR A 31 -4.518 -2.792 -2.648 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.937 -5.053 -1.817 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.458 -4.938 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.972 -3.629 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.190 -4.820 -0.394 1.00 0.00 H new ATOM 501 N SER A 32 -7.083 -3.940 0.091 1.00 0.00 N ATOM 502 CA SER A 32 -7.787 -4.739 1.098 1.00 0.00 C ATOM 503 C SER A 32 -6.827 -5.671 1.829 1.00 0.00 C ATOM 504 O SER A 32 -5.628 -5.699 1.550 1.00 0.00 O ATOM 505 CB SER A 32 -8.872 -5.586 0.434 1.00 0.00 C ATOM 506 OG SER A 32 -10.068 -4.823 0.331 1.00 0.00 O ATOM 0 H SER A 32 -7.454 -4.028 -0.855 1.00 0.00 H new ATOM 0 HA SER A 32 -8.233 -4.048 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.545 -5.906 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.052 -6.489 1.017 1.00 0.00 H new ATOM 0 HG SER A 32 -10.235 -4.602 -0.609 1.00 0.00 H new ATOM 512 N SER A 33 -7.378 -6.448 2.758 1.00 0.00 N ATOM 513 CA SER A 33 -6.571 -7.400 3.518 1.00 0.00 C ATOM 514 C SER A 33 -6.604 -8.786 2.862 1.00 0.00 C ATOM 515 O SER A 33 -6.269 -9.789 3.491 1.00 0.00 O ATOM 516 CB SER A 33 -7.092 -7.518 4.950 1.00 0.00 C ATOM 517 OG SER A 33 -6.506 -6.498 5.748 1.00 0.00 O ATOM 0 H SER A 33 -8.369 -6.439 3.001 1.00 0.00 H new ATOM 0 HA SER A 33 -5.546 -7.031 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.178 -7.427 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.850 -8.499 5.358 1.00 0.00 H new ATOM 0 HG SER A 33 -6.839 -6.570 6.667 1.00 0.00 H new ATOM 523 N ILE A 34 -7.008 -8.832 1.587 1.00 0.00 N ATOM 524 CA ILE A 34 -7.080 -10.094 0.852 1.00 0.00 C ATOM 525 C ILE A 34 -5.727 -10.805 0.869 1.00 0.00 C ATOM 526 O ILE A 34 -5.643 -12.007 1.123 1.00 0.00 O ATOM 527 CB ILE A 34 -7.523 -9.826 -0.605 1.00 0.00 C ATOM 528 CG1 ILE A 34 -7.498 -11.121 -1.439 1.00 0.00 C ATOM 529 CG2 ILE A 34 -6.598 -8.793 -1.260 1.00 0.00 C ATOM 530 CD1 ILE A 34 -8.883 -11.759 -1.423 1.00 0.00 C ATOM 0 H ILE A 34 -7.288 -8.013 1.048 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.812 -10.740 1.336 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.543 -9.443 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.198 -10.901 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.761 -11.814 -1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.921 -8.614 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.639 -7.860 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.575 -9.170 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.868 -12.676 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.164 -11.992 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.608 -11.065 -1.849 1.00 0.00 H new ATOM 542 N CYS A 35 -4.678 -10.055 0.582 1.00 0.00 N ATOM 543 CA CYS A 35 -3.339 -10.627 0.552 1.00 0.00 C ATOM 544 C CYS A 35 -2.952 -11.129 1.947 1.00 0.00 C ATOM 545 O CYS A 35 -3.809 -11.298 2.813 1.00 0.00 O ATOM 546 CB CYS A 35 -2.327 -9.584 0.063 1.00 0.00 C ATOM 547 SG CYS A 35 -2.864 -8.885 -1.527 1.00 0.00 S ATOM 0 H CYS A 35 -4.723 -9.059 0.368 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.331 -11.469 -0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.227 -8.789 0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.345 -10.043 -0.047 1.00 0.00 H new ATOM 552 N SER A 36 -1.655 -11.379 2.157 1.00 0.00 N ATOM 553 CA SER A 36 -1.166 -11.877 3.452 1.00 0.00 C ATOM 554 C SER A 36 -1.760 -11.091 4.624 1.00 0.00 C ATOM 555 O SER A 36 -2.524 -11.629 5.425 1.00 0.00 O ATOM 556 CB SER A 36 0.359 -11.779 3.516 1.00 0.00 C ATOM 557 OG SER A 36 0.863 -12.838 4.319 1.00 0.00 O ATOM 0 H SER A 36 -0.928 -11.247 1.454 1.00 0.00 H new ATOM 0 HA SER A 36 -1.480 -12.917 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.781 -11.835 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.656 -10.817 3.934 1.00 0.00 H new ATOM 0 HG SER A 36 1.840 -12.780 4.361 1.00 0.00 H new ATOM 563 N ASN A 37 -1.401 -9.815 4.714 1.00 0.00 N ATOM 564 CA ASN A 37 -1.907 -8.967 5.792 1.00 0.00 C ATOM 565 C ASN A 37 -1.756 -7.494 5.429 1.00 0.00 C ATOM 566 O ASN A 37 -2.673 -6.696 5.618 1.00 0.00 O ATOM 567 CB ASN A 37 -1.155 -9.244 7.098 1.00 0.00 C ATOM 568 CG ASN A 37 0.348 -9.150 6.856 1.00 0.00 C ATOM 569 OD1 ASN A 37 0.950 -10.060 6.285 1.00 0.00 O ATOM 570 ND2 ASN A 37 0.997 -8.093 7.262 1.00 0.00 N ATOM 0 H ASN A 37 -0.770 -9.348 4.063 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.963 -9.199 5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.456 -8.526 7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.411 -10.235 7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.002 -8.021 7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.499 -7.339 7.735 1.00 0.00 H new ATOM 577 N GLU A 38 -0.587 -7.142 4.901 1.00 0.00 N ATOM 578 CA GLU A 38 -0.327 -5.762 4.508 1.00 0.00 C ATOM 579 C GLU A 38 -0.331 -5.640 2.989 1.00 0.00 C ATOM 580 O GLU A 38 0.687 -5.851 2.330 1.00 0.00 O ATOM 581 CB GLU A 38 1.030 -5.297 5.043 1.00 0.00 C ATOM 582 CG GLU A 38 0.873 -4.821 6.488 1.00 0.00 C ATOM 583 CD GLU A 38 0.345 -3.390 6.498 1.00 0.00 C ATOM 584 OE1 GLU A 38 -0.506 -3.087 5.677 1.00 0.00 O ATOM 585 OE2 GLU A 38 0.797 -2.618 7.327 1.00 0.00 O ATOM 0 H GLU A 38 0.187 -7.786 4.737 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.113 -5.135 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.751 -6.113 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.420 -4.490 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.188 -5.476 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.832 -4.870 7.004 1.00 0.00 H new ATOM 592 N GLY A 39 -1.493 -5.302 2.440 1.00 0.00 N ATOM 593 CA GLY A 39 -1.628 -5.156 0.994 1.00 0.00 C ATOM 594 C GLY A 39 -1.515 -3.691 0.585 1.00 0.00 C ATOM 595 O GLY A 39 -2.323 -2.855 0.989 1.00 0.00 O ATOM 0 H GLY A 39 -2.348 -5.125 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.856 -5.739 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.590 -5.555 0.672 1.00 0.00 H new ATOM 599 N LEU A 40 -0.502 -3.390 -0.223 1.00 0.00 N ATOM 600 CA LEU A 40 -0.290 -2.022 -0.685 1.00 0.00 C ATOM 601 C LEU A 40 -0.231 -1.970 -2.208 1.00 0.00 C ATOM 602 O LEU A 40 0.108 -2.951 -2.869 1.00 0.00 O ATOM 603 CB LEU A 40 1.011 -1.461 -0.113 1.00 0.00 C ATOM 604 CG LEU A 40 1.395 -0.063 -0.596 1.00 0.00 C ATOM 605 CD1 LEU A 40 0.344 0.938 -0.126 1.00 0.00 C ATOM 606 CD2 LEU A 40 2.749 0.320 -0.006 1.00 0.00 C ATOM 0 H LEU A 40 0.178 -4.067 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.129 -1.418 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.931 -1.441 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.821 -2.147 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 40 1.452 -0.055 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.614 1.937 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.628 0.664 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.294 0.929 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.026 1.317 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.686 0.315 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.503 -0.398 -0.330 1.00 0.00 H new ATOM 618 N ILE A 41 -0.570 -0.805 -2.753 1.00 0.00 N ATOM 619 CA ILE A 41 -0.559 -0.611 -4.198 1.00 0.00 C ATOM 620 C ILE A 41 -0.083 0.805 -4.529 1.00 0.00 C ATOM 621 O ILE A 41 -0.115 1.700 -3.683 1.00 0.00 O ATOM 622 CB ILE A 41 -1.969 -0.842 -4.771 1.00 0.00 C ATOM 623 CG1 ILE A 41 -2.368 -2.304 -4.543 1.00 0.00 C ATOM 624 CG2 ILE A 41 -1.993 -0.536 -6.275 1.00 0.00 C ATOM 625 CD1 ILE A 41 -3.808 -2.529 -5.014 1.00 0.00 C ATOM 0 H ILE A 41 -0.854 0.015 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 41 0.126 -1.329 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.672 -0.178 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.691 -2.964 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.278 -2.554 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.997 -0.704 -6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.710 0.504 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.289 -1.190 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.086 -3.570 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.480 -1.881 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.884 -2.297 -6.076 1.00 0.00 H new ATOM 637 N PHE A 42 0.359 0.995 -5.769 1.00 0.00 N ATOM 638 CA PHE A 42 0.840 2.303 -6.203 1.00 0.00 C ATOM 639 C PHE A 42 0.259 2.677 -7.562 1.00 0.00 C ATOM 640 O PHE A 42 -0.484 1.913 -8.176 1.00 0.00 O ATOM 641 CB PHE A 42 2.362 2.306 -6.323 1.00 0.00 C ATOM 642 CG PHE A 42 3.004 2.382 -4.959 1.00 0.00 C ATOM 643 CD1 PHE A 42 3.063 1.243 -4.147 1.00 0.00 C ATOM 644 CD2 PHE A 42 3.572 3.584 -4.520 1.00 0.00 C ATOM 645 CE1 PHE A 42 3.688 1.309 -2.899 1.00 0.00 C ATOM 646 CE2 PHE A 42 4.193 3.650 -3.269 1.00 0.00 C ATOM 647 CZ PHE A 42 4.254 2.512 -2.460 1.00 0.00 C ATOM 0 H PHE A 42 0.394 0.269 -6.484 1.00 0.00 H new ATOM 0 HA PHE A 42 0.521 3.027 -5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.693 1.403 -6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.682 3.153 -6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.626 0.315 -4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.530 4.461 -5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.735 0.431 -2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.625 4.579 -2.928 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.738 2.561 -1.496 1.00 0.00 H new ATOM 657 N LYS A 43 0.630 3.868 -8.024 1.00 0.00 N ATOM 658 CA LYS A 43 0.176 4.366 -9.321 1.00 0.00 C ATOM 659 C LYS A 43 1.369 4.901 -10.099 1.00 0.00 C ATOM 660 O LYS A 43 2.213 5.595 -9.545 1.00 0.00 O ATOM 661 CB LYS A 43 -0.838 5.495 -9.146 1.00 0.00 C ATOM 662 CG LYS A 43 -1.642 5.663 -10.438 1.00 0.00 C ATOM 663 CD LYS A 43 -2.881 4.769 -10.388 1.00 0.00 C ATOM 664 CE LYS A 43 -3.824 5.139 -11.534 1.00 0.00 C ATOM 665 NZ LYS A 43 -5.218 4.759 -11.172 1.00 0.00 N ATOM 0 H LYS A 43 1.244 4.507 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.296 3.544 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.507 5.272 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.325 6.425 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.937 6.705 -10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.026 5.401 -11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.590 3.721 -10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.390 4.888 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.768 6.209 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.522 4.627 -12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.860 5.010 -11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.265 3.734 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.504 5.267 -10.311 1.00 0.00 H new ATOM 679 N LEU A 44 1.440 4.572 -11.383 1.00 0.00 N ATOM 680 CA LEU A 44 2.560 5.038 -12.203 1.00 0.00 C ATOM 681 C LEU A 44 2.060 5.810 -13.420 1.00 0.00 C ATOM 682 O LEU A 44 0.864 5.836 -13.711 1.00 0.00 O ATOM 683 CB LEU A 44 3.409 3.854 -12.671 1.00 0.00 C ATOM 684 CG LEU A 44 3.576 2.729 -11.646 1.00 0.00 C ATOM 685 CD1 LEU A 44 4.380 1.584 -12.263 1.00 0.00 C ATOM 686 CD2 LEU A 44 4.319 3.264 -10.419 1.00 0.00 C ATOM 0 H LEU A 44 0.754 3.998 -11.874 1.00 0.00 H new ATOM 0 HA LEU A 44 3.169 5.701 -11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.960 3.439 -13.573 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.397 4.222 -12.947 1.00 0.00 H new ATOM 0 HG LEU A 44 2.593 2.363 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.497 0.785 -11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.855 1.200 -13.138 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.363 1.949 -12.561 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.438 2.464 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.301 3.631 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.748 4.079 -9.974 1.00 0.00 H new ATOM 698 N LYS A 45 2.995 6.444 -14.125 1.00 0.00 N ATOM 699 CA LYS A 45 2.649 7.224 -15.311 1.00 0.00 C ATOM 700 C LYS A 45 2.478 6.333 -16.548 1.00 0.00 C ATOM 701 O LYS A 45 2.218 6.831 -17.644 1.00 0.00 O ATOM 702 CB LYS A 45 3.736 8.260 -15.602 1.00 0.00 C ATOM 703 CG LYS A 45 3.939 9.148 -14.373 1.00 0.00 C ATOM 704 CD LYS A 45 5.241 9.938 -14.523 1.00 0.00 C ATOM 705 CE LYS A 45 4.948 11.284 -15.190 1.00 0.00 C ATOM 706 NZ LYS A 45 5.125 11.157 -16.665 1.00 0.00 N ATOM 0 H LYS A 45 3.989 6.433 -13.898 1.00 0.00 H new ATOM 0 HA LYS A 45 1.701 7.720 -15.101 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.669 7.760 -15.860 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.452 8.869 -16.460 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.097 9.832 -14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.974 8.537 -13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.697 10.096 -13.546 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.955 9.372 -15.121 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.931 11.602 -14.961 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.617 12.050 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.998 11.643 -16.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.188 10.151 -16.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.313 11.588 -17.151 1.00 0.00 H new ATOM 720 N ARG A 46 2.621 5.015 -16.377 1.00 0.00 N ATOM 721 CA ARG A 46 2.472 4.094 -17.503 1.00 0.00 C ATOM 722 C ARG A 46 1.027 3.604 -17.638 1.00 0.00 C ATOM 723 O ARG A 46 0.774 2.557 -18.234 1.00 0.00 O ATOM 724 CB ARG A 46 3.390 2.883 -17.325 1.00 0.00 C ATOM 725 CG ARG A 46 3.697 2.270 -18.693 1.00 0.00 C ATOM 726 CD ARG A 46 4.082 0.800 -18.518 1.00 0.00 C ATOM 727 NE ARG A 46 4.101 0.113 -19.812 1.00 0.00 N ATOM 728 CZ ARG A 46 4.535 -1.150 -19.944 1.00 0.00 C ATOM 729 NH1 ARG A 46 4.966 -1.831 -18.910 1.00 0.00 N ATOM 730 NH2 ARG A 46 4.528 -1.708 -21.123 1.00 0.00 N ATOM 0 H ARG A 46 2.836 4.570 -15.485 1.00 0.00 H new ATOM 0 HA ARG A 46 2.745 4.639 -18.406 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.315 3.184 -16.834 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.913 2.143 -16.682 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.827 2.354 -19.345 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.509 2.815 -19.174 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.063 0.729 -18.048 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.373 0.310 -17.851 1.00 0.00 H new ATOM 0 HE ARG A 46 3.774 0.611 -20.640 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.975 -1.402 -17.985 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.292 -2.790 -19.031 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.195 -1.185 -21.933 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.856 -2.667 -21.235 1.00 0.00 H new ATOM 744 N GLY A 47 0.080 4.361 -17.082 1.00 0.00 N ATOM 745 CA GLY A 47 -1.326 3.974 -17.157 1.00 0.00 C ATOM 746 C GLY A 47 -1.556 2.639 -16.461 1.00 0.00 C ATOM 747 O GLY A 47 -2.307 1.792 -16.944 1.00 0.00 O ATOM 0 H GLY A 47 0.258 5.232 -16.582 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.945 4.742 -16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.634 3.903 -18.200 1.00 0.00 H new ATOM 751 N LYS A 48 -0.898 2.460 -15.318 1.00 0.00 N ATOM 752 CA LYS A 48 -1.040 1.219 -14.562 1.00 0.00 C ATOM 753 C LYS A 48 -0.651 1.426 -13.103 1.00 0.00 C ATOM 754 O LYS A 48 -0.241 2.515 -12.701 1.00 0.00 O ATOM 755 CB LYS A 48 -0.157 0.121 -15.163 1.00 0.00 C ATOM 756 CG LYS A 48 -0.857 -0.486 -16.381 1.00 0.00 C ATOM 757 CD LYS A 48 -0.453 -1.954 -16.523 1.00 0.00 C ATOM 758 CE LYS A 48 -1.596 -2.737 -17.172 1.00 0.00 C ATOM 759 NZ LYS A 48 -1.273 -4.192 -17.159 1.00 0.00 N ATOM 0 H LYS A 48 -0.271 3.147 -14.900 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.086 0.916 -14.615 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.809 0.534 -15.454 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.038 -0.652 -14.419 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.938 -0.405 -16.270 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.586 0.065 -17.281 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.449 -2.037 -17.129 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.219 -2.374 -15.545 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.526 -2.556 -16.634 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.748 -2.397 -18.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.050 -4.724 -17.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.395 -4.357 -17.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.149 -4.511 -16.177 1.00 0.00 H new ATOM 773 N GLU A 49 -0.790 0.364 -12.316 1.00 0.00 N ATOM 774 CA GLU A 49 -0.458 0.428 -10.896 1.00 0.00 C ATOM 775 C GLU A 49 0.626 -0.585 -10.552 1.00 0.00 C ATOM 776 O GLU A 49 1.077 -1.351 -11.404 1.00 0.00 O ATOM 777 CB GLU A 49 -1.696 0.133 -10.045 1.00 0.00 C ATOM 778 CG GLU A 49 -2.711 1.265 -10.206 1.00 0.00 C ATOM 779 CD GLU A 49 -4.121 0.715 -10.024 1.00 0.00 C ATOM 780 OE1 GLU A 49 -4.346 0.031 -9.039 1.00 0.00 O ATOM 781 OE2 GLU A 49 -4.955 0.985 -10.872 1.00 0.00 O ATOM 0 H GLU A 49 -1.127 -0.545 -12.633 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.096 1.434 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.141 -0.814 -10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.413 0.031 -8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.517 2.048 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.611 1.720 -11.192 1.00 0.00 H new ATOM 788 N ALA A 50 1.031 -0.581 -9.288 1.00 0.00 N ATOM 789 CA ALA A 50 2.057 -1.503 -8.818 1.00 0.00 C ATOM 790 C ALA A 50 1.676 -2.043 -7.445 1.00 0.00 C ATOM 791 O ALA A 50 1.138 -1.319 -6.611 1.00 0.00 O ATOM 792 CB ALA A 50 3.409 -0.793 -8.723 1.00 0.00 C ATOM 0 H ALA A 50 0.666 0.048 -8.573 1.00 0.00 H new ATOM 0 HA ALA A 50 2.135 -2.326 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.165 -1.495 -8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.693 -0.418 -9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.334 0.040 -8.024 1.00 0.00 H new ATOM 798 N CYS A 51 1.950 -3.323 -7.222 1.00 0.00 N ATOM 799 CA CYS A 51 1.616 -3.946 -5.943 1.00 0.00 C ATOM 800 C CYS A 51 2.776 -3.855 -4.957 1.00 0.00 C ATOM 801 O CYS A 51 3.945 -3.818 -5.341 1.00 0.00 O ATOM 802 CB CYS A 51 1.245 -5.416 -6.142 1.00 0.00 C ATOM 803 SG CYS A 51 -0.483 -5.538 -6.670 1.00 0.00 S ATOM 0 H CYS A 51 2.396 -3.944 -7.898 1.00 0.00 H new ATOM 0 HA CYS A 51 0.764 -3.403 -5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.897 -5.869 -6.889 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.392 -5.968 -5.214 1.00 0.00 H new ATOM 808 N ALA A 52 2.424 -3.829 -3.676 1.00 0.00 N ATOM 809 CA ALA A 52 3.414 -3.751 -2.607 1.00 0.00 C ATOM 810 C ALA A 52 2.792 -4.233 -1.300 1.00 0.00 C ATOM 811 O ALA A 52 1.618 -4.598 -1.259 1.00 0.00 O ATOM 812 CB ALA A 52 3.910 -2.313 -2.432 1.00 0.00 C ATOM 0 H ALA A 52 1.457 -3.861 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 52 4.261 -4.384 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.647 -2.277 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.367 -1.970 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.069 -1.666 -2.181 1.00 0.00 H new ATOM 818 N LEU A 53 3.582 -4.231 -0.231 1.00 0.00 N ATOM 819 CA LEU A 53 3.078 -4.676 1.066 1.00 0.00 C ATOM 820 C LEU A 53 2.355 -3.531 1.779 1.00 0.00 C ATOM 821 O LEU A 53 1.128 -3.467 1.781 1.00 0.00 O ATOM 822 CB LEU A 53 4.225 -5.200 1.940 1.00 0.00 C ATOM 823 CG LEU A 53 4.364 -6.723 1.973 1.00 0.00 C ATOM 824 CD1 LEU A 53 3.045 -7.345 2.436 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.700 -7.229 0.570 1.00 0.00 C ATOM 0 H LEU A 53 4.557 -3.932 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 53 2.370 -5.488 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.161 -4.772 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.080 -4.841 2.959 1.00 0.00 H new ATOM 0 HG LEU A 53 5.159 -7.003 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.143 -8.430 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.801 -6.981 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.249 -7.068 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.800 -8.314 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.902 -6.950 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.638 -6.784 0.238 1.00 0.00 H new ATOM 837 N ASP A 54 3.138 -2.632 2.377 1.00 0.00 N ATOM 838 CA ASP A 54 2.588 -1.476 3.094 1.00 0.00 C ATOM 839 C ASP A 54 3.711 -0.694 3.773 1.00 0.00 C ATOM 840 O ASP A 54 3.807 0.525 3.634 1.00 0.00 O ATOM 841 CB ASP A 54 1.566 -1.909 4.158 1.00 0.00 C ATOM 842 CG ASP A 54 0.953 -0.679 4.826 1.00 0.00 C ATOM 843 OD1 ASP A 54 0.313 0.092 4.129 1.00 0.00 O ATOM 844 OD2 ASP A 54 1.136 -0.525 6.022 1.00 0.00 O ATOM 0 H ASP A 54 4.157 -2.681 2.380 1.00 0.00 H new ATOM 0 HA ASP A 54 2.084 -0.845 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.783 -2.511 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.051 -2.535 4.906 1.00 0.00 H new ATOM 849 N THR A 55 4.555 -1.403 4.521 1.00 0.00 N ATOM 850 CA THR A 55 5.659 -0.751 5.224 1.00 0.00 C ATOM 851 C THR A 55 6.986 -1.428 4.895 1.00 0.00 C ATOM 852 O THR A 55 7.787 -1.741 5.778 1.00 0.00 O ATOM 853 CB THR A 55 5.425 -0.794 6.734 1.00 0.00 C ATOM 854 OG1 THR A 55 5.399 -2.146 7.170 1.00 0.00 O ATOM 855 CG2 THR A 55 4.091 -0.125 7.055 1.00 0.00 C ATOM 0 H THR A 55 4.498 -2.413 4.655 1.00 0.00 H new ATOM 0 HA THR A 55 5.702 0.287 4.894 1.00 0.00 H new ATOM 0 HB THR A 55 6.229 -0.266 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.251 -2.175 8.138 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.919 -0.153 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.113 0.911 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.286 -0.655 6.545 1.00 0.00 H new ATOM 863 N VAL A 56 7.209 -1.643 3.606 1.00 0.00 N ATOM 864 CA VAL A 56 8.443 -2.280 3.143 1.00 0.00 C ATOM 865 C VAL A 56 9.666 -1.467 3.569 1.00 0.00 C ATOM 866 O VAL A 56 10.697 -2.016 3.958 1.00 0.00 O ATOM 867 CB VAL A 56 8.442 -2.396 1.613 1.00 0.00 C ATOM 868 CG1 VAL A 56 7.283 -3.284 1.162 1.00 0.00 C ATOM 869 CG2 VAL A 56 8.282 -1.003 0.992 1.00 0.00 C ATOM 0 H VAL A 56 6.558 -1.389 2.863 1.00 0.00 H new ATOM 0 HA VAL A 56 8.492 -3.272 3.591 1.00 0.00 H new ATOM 0 HB VAL A 56 9.385 -2.836 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.287 -3.363 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.394 -4.277 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.340 -2.847 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.281 -1.087 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.341 -0.563 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.110 -0.367 1.306 1.00 0.00 H new ATOM 879 N GLY A 57 9.532 -0.151 3.465 1.00 0.00 N ATOM 880 CA GLY A 57 10.618 0.761 3.812 1.00 0.00 C ATOM 881 C GLY A 57 10.672 1.890 2.794 1.00 0.00 C ATOM 882 O GLY A 57 10.554 3.065 3.139 1.00 0.00 O ATOM 0 H GLY A 57 8.681 0.311 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.463 1.165 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.567 0.225 3.828 1.00 0.00 H new ATOM 886 N TRP A 58 10.820 1.513 1.527 1.00 0.00 N ATOM 887 CA TRP A 58 10.853 2.498 0.452 1.00 0.00 C ATOM 888 C TRP A 58 9.463 3.121 0.258 1.00 0.00 C ATOM 889 O TRP A 58 9.328 4.198 -0.321 1.00 0.00 O ATOM 890 CB TRP A 58 11.344 1.857 -0.855 1.00 0.00 C ATOM 891 CG TRP A 58 10.386 0.805 -1.327 1.00 0.00 C ATOM 892 CD1 TRP A 58 10.542 -0.530 -1.161 1.00 0.00 C ATOM 893 CD2 TRP A 58 9.142 0.983 -2.055 1.00 0.00 C ATOM 894 NE1 TRP A 58 9.464 -1.179 -1.743 1.00 0.00 N ATOM 895 CE2 TRP A 58 8.577 -0.286 -2.310 1.00 0.00 C ATOM 896 CE3 TRP A 58 8.458 2.118 -2.514 1.00 0.00 C ATOM 897 CZ2 TRP A 58 7.373 -0.423 -3.002 1.00 0.00 C ATOM 898 CZ3 TRP A 58 7.249 1.987 -3.212 1.00 0.00 C ATOM 899 CH2 TRP A 58 6.708 0.719 -3.457 1.00 0.00 C ATOM 0 H TRP A 58 10.918 0.544 1.222 1.00 0.00 H new ATOM 0 HA TRP A 58 11.552 3.287 0.728 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.455 2.624 -1.622 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.329 1.415 -0.701 1.00 0.00 H new ATOM 0 HD1 TRP A 58 11.369 -1.010 -0.659 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.341 -2.192 -1.751 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.866 3.101 -2.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 6.958 -1.403 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.733 2.868 -3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.778 0.623 -3.997 1.00 0.00 H new ATOM 910 N VAL A 59 8.435 2.441 0.771 1.00 0.00 N ATOM 911 CA VAL A 59 7.074 2.948 0.673 1.00 0.00 C ATOM 912 C VAL A 59 6.944 4.187 1.558 1.00 0.00 C ATOM 913 O VAL A 59 6.243 5.135 1.222 1.00 0.00 O ATOM 914 CB VAL A 59 6.081 1.856 1.128 1.00 0.00 C ATOM 915 CG1 VAL A 59 4.669 2.430 1.329 1.00 0.00 C ATOM 916 CG2 VAL A 59 6.028 0.752 0.066 1.00 0.00 C ATOM 0 H VAL A 59 8.522 1.546 1.253 1.00 0.00 H new ATOM 0 HA VAL A 59 6.847 3.216 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 59 6.426 1.455 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.995 1.635 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.698 3.209 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.311 2.853 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.329 -0.022 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.698 1.175 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.020 0.317 -0.057 1.00 0.00 H new ATOM 926 N GLN A 60 7.623 4.152 2.700 1.00 0.00 N ATOM 927 CA GLN A 60 7.581 5.264 3.646 1.00 0.00 C ATOM 928 C GLN A 60 8.028 6.566 2.988 1.00 0.00 C ATOM 929 O GLN A 60 7.365 7.594 3.117 1.00 0.00 O ATOM 930 CB GLN A 60 8.475 4.968 4.855 1.00 0.00 C ATOM 931 CG GLN A 60 7.635 4.338 5.974 1.00 0.00 C ATOM 932 CD GLN A 60 7.034 3.018 5.492 1.00 0.00 C ATOM 933 OE1 GLN A 60 7.600 1.949 5.721 1.00 0.00 O ATOM 934 NE2 GLN A 60 5.910 3.033 4.828 1.00 0.00 N ATOM 0 H GLN A 60 8.207 3.369 2.993 1.00 0.00 H new ATOM 0 HA GLN A 60 6.549 5.379 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.281 4.293 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.941 5.888 5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.255 4.166 6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.841 5.022 6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.441 3.919 4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.500 2.159 4.499 1.00 0.00 H new ATOM 943 N ARG A 61 9.152 6.521 2.276 1.00 0.00 N ATOM 944 CA ARG A 61 9.641 7.728 1.612 1.00 0.00 C ATOM 945 C ARG A 61 8.704 8.120 0.465 1.00 0.00 C ATOM 946 O ARG A 61 8.598 9.295 0.112 1.00 0.00 O ATOM 947 CB ARG A 61 11.074 7.543 1.094 1.00 0.00 C ATOM 948 CG ARG A 61 11.127 6.416 0.065 1.00 0.00 C ATOM 949 CD ARG A 61 12.521 6.365 -0.568 1.00 0.00 C ATOM 950 NE ARG A 61 12.921 4.980 -0.829 1.00 0.00 N ATOM 951 CZ ARG A 61 14.202 4.634 -1.030 1.00 0.00 C ATOM 952 NH1 ARG A 61 15.161 5.528 -1.006 1.00 0.00 N ATOM 953 NH2 ARG A 61 14.498 3.383 -1.256 1.00 0.00 N ATOM 0 H ARG A 61 9.727 5.689 2.145 1.00 0.00 H new ATOM 0 HA ARG A 61 9.656 8.532 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.428 8.471 0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.742 7.317 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.898 5.463 0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.372 6.577 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.524 6.931 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.245 6.839 0.095 1.00 0.00 H new ATOM 0 HE ARG A 61 12.203 4.256 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.940 6.508 -0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.128 5.243 -1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.759 2.680 -1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.468 3.108 -1.410 1.00 0.00 H new ATOM 967 N HIS A 62 7.999 7.132 -0.094 1.00 0.00 N ATOM 968 CA HIS A 62 7.049 7.401 -1.174 1.00 0.00 C ATOM 969 C HIS A 62 5.753 7.977 -0.611 1.00 0.00 C ATOM 970 O HIS A 62 5.184 8.923 -1.154 1.00 0.00 O ATOM 971 CB HIS A 62 6.714 6.121 -1.945 1.00 0.00 C ATOM 972 CG HIS A 62 7.769 5.853 -2.982 1.00 0.00 C ATOM 973 ND1 HIS A 62 9.063 5.490 -2.655 1.00 0.00 N ATOM 974 CD2 HIS A 62 7.730 5.910 -4.352 1.00 0.00 C ATOM 975 CE1 HIS A 62 9.747 5.353 -3.807 1.00 0.00 C ATOM 976 NE2 HIS A 62 8.979 5.594 -4.871 1.00 0.00 N ATOM 0 H HIS A 62 8.067 6.152 0.180 1.00 0.00 H new ATOM 0 HA HIS A 62 7.517 8.118 -1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.648 5.279 -1.256 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.739 6.219 -2.423 1.00 0.00 H new ATOM 0 HD1 HIS A 62 9.432 5.351 -1.714 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.859 6.163 -4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.791 5.081 -3.863 1.00 0.00 H new ATOM 984 N ARG A 63 5.296 7.386 0.487 1.00 0.00 N ATOM 985 CA ARG A 63 4.060 7.831 1.131 1.00 0.00 C ATOM 986 C ARG A 63 4.306 9.066 1.997 1.00 0.00 C ATOM 987 O ARG A 63 3.372 9.795 2.327 1.00 0.00 O ATOM 988 CB ARG A 63 3.443 6.713 1.982 1.00 0.00 C ATOM 989 CG ARG A 63 4.453 6.194 3.008 1.00 0.00 C ATOM 990 CD ARG A 63 4.071 6.671 4.415 1.00 0.00 C ATOM 991 NE ARG A 63 5.245 7.195 5.118 1.00 0.00 N ATOM 992 CZ ARG A 63 5.180 7.636 6.383 1.00 0.00 C ATOM 993 NH1 ARG A 63 4.054 7.617 7.054 1.00 0.00 N ATOM 994 NH2 ARG A 63 6.260 8.092 6.956 1.00 0.00 N ATOM 0 H ARG A 63 5.757 6.603 0.949 1.00 0.00 H new ATOM 0 HA ARG A 63 3.358 8.092 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.556 7.086 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.119 5.896 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.483 5.105 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.453 6.547 2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.306 7.444 4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.640 5.845 4.981 1.00 0.00 H new ATOM 0 HE ARG A 63 6.140 7.225 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.205 7.262 6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.027 7.957 8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.141 8.110 6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.223 8.430 7.918 1.00 0.00 H new ATOM 1008 N LYS A 64 5.570 9.322 2.341 1.00 0.00 N ATOM 1009 CA LYS A 64 5.892 10.505 3.131 1.00 0.00 C ATOM 1010 C LYS A 64 5.739 11.746 2.252 1.00 0.00 C ATOM 1011 O LYS A 64 5.388 12.825 2.728 1.00 0.00 O ATOM 1012 CB LYS A 64 7.326 10.437 3.667 1.00 0.00 C ATOM 1013 CG LYS A 64 7.584 11.624 4.599 1.00 0.00 C ATOM 1014 CD LYS A 64 9.035 12.088 4.451 1.00 0.00 C ATOM 1015 CE LYS A 64 9.494 12.752 5.750 1.00 0.00 C ATOM 1016 NZ LYS A 64 10.948 12.492 5.954 1.00 0.00 N ATOM 0 H LYS A 64 6.369 8.739 2.090 1.00 0.00 H new ATOM 0 HA LYS A 64 5.211 10.553 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.480 9.501 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.035 10.451 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.904 12.442 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.387 11.338 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.677 11.239 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.121 12.790 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.308 13.825 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.922 12.362 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.261 12.943 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.113 11.467 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.486 12.884 5.155 1.00 0.00 H new ATOM 1030 N MET A 65 5.997 11.569 0.953 1.00 0.00 N ATOM 1031 CA MET A 65 5.877 12.665 -0.003 1.00 0.00 C ATOM 1032 C MET A 65 4.496 12.641 -0.651 1.00 0.00 C ATOM 1033 O MET A 65 3.830 13.670 -0.775 1.00 0.00 O ATOM 1034 CB MET A 65 6.943 12.538 -1.094 1.00 0.00 C ATOM 1035 CG MET A 65 8.333 12.682 -0.468 1.00 0.00 C ATOM 1036 SD MET A 65 8.856 14.414 -0.536 1.00 0.00 S ATOM 1037 CE MET A 65 10.617 14.109 -0.823 1.00 0.00 C ATOM 0 H MET A 65 6.288 10.681 0.544 1.00 0.00 H new ATOM 0 HA MET A 65 6.017 13.605 0.531 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.855 11.573 -1.593 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.794 13.304 -1.854 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.314 12.338 0.566 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.049 12.055 -1.000 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.143 15.060 -0.899 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.026 13.533 0.007 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.743 13.550 -1.750 1.00 0.00 H new ATOM 1047 N LEU A 66 4.072 11.446 -1.056 1.00 0.00 N ATOM 1048 CA LEU A 66 2.763 11.274 -1.684 1.00 0.00 C ATOM 1049 C LEU A 66 1.723 10.925 -0.627 1.00 0.00 C ATOM 1050 O LEU A 66 2.032 10.847 0.559 1.00 0.00 O ATOM 1051 CB LEU A 66 2.805 10.158 -2.731 1.00 0.00 C ATOM 1052 CG LEU A 66 3.526 10.513 -4.033 1.00 0.00 C ATOM 1053 CD1 LEU A 66 2.768 11.636 -4.744 1.00 0.00 C ATOM 1054 CD2 LEU A 66 4.948 10.982 -3.720 1.00 0.00 C ATOM 0 H LEU A 66 4.612 10.586 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 66 2.496 12.210 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.291 9.287 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.782 9.866 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 66 3.566 9.634 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.280 11.890 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.754 11.305 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.729 12.514 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.460 11.235 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.908 11.861 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.490 10.185 -3.211 1.00 0.00 H new ATOM 1066 N ARG A 67 0.484 10.719 -1.063 1.00 0.00 N ATOM 1067 CA ARG A 67 -0.584 10.378 -0.126 1.00 0.00 C ATOM 1068 C ARG A 67 -1.569 9.408 -0.765 1.00 0.00 C ATOM 1069 O ARG A 67 -1.409 9.008 -1.915 1.00 0.00 O ATOM 1070 CB ARG A 67 -1.335 11.635 0.316 1.00 0.00 C ATOM 1071 CG ARG A 67 -0.344 12.643 0.902 1.00 0.00 C ATOM 1072 CD ARG A 67 -1.102 13.880 1.386 1.00 0.00 C ATOM 1073 NE ARG A 67 -0.356 14.560 2.448 1.00 0.00 N ATOM 1074 CZ ARG A 67 -0.175 14.009 3.657 1.00 0.00 C ATOM 1075 NH1 ARG A 67 -0.662 12.825 3.946 1.00 0.00 N ATOM 1076 NH2 ARG A 67 0.499 14.662 4.564 1.00 0.00 N ATOM 0 H ARG A 67 0.197 10.780 -2.040 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.126 9.907 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.859 12.075 -0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.090 11.378 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.204 12.192 1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.392 12.926 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.263 14.564 0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.086 13.589 1.754 1.00 0.00 H new ATOM 0 HE ARG A 67 0.038 15.482 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.190 12.306 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.513 12.424 4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.882 15.583 4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.642 14.252 5.487 1.00 0.00 H new ATOM 1090 N HIS A 68 -2.590 9.031 0.001 1.00 0.00 N ATOM 1091 CA HIS A 68 -3.601 8.102 -0.494 1.00 0.00 C ATOM 1092 C HIS A 68 -4.313 8.684 -1.712 1.00 0.00 C ATOM 1093 O HIS A 68 -4.997 9.703 -1.622 1.00 0.00 O ATOM 1094 CB HIS A 68 -4.636 7.806 0.593 1.00 0.00 C ATOM 1095 CG HIS A 68 -4.173 6.643 1.425 1.00 0.00 C ATOM 1096 ND1 HIS A 68 -4.926 5.487 1.562 1.00 0.00 N ATOM 1097 CD2 HIS A 68 -3.038 6.441 2.169 1.00 0.00 C ATOM 1098 CE1 HIS A 68 -4.240 4.649 2.362 1.00 0.00 C ATOM 1099 NE2 HIS A 68 -3.082 5.182 2.760 1.00 0.00 N ATOM 0 H HIS A 68 -2.738 9.351 0.958 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.096 7.178 -0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.778 8.684 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.601 7.580 0.139 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.232 7.152 2.279 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.584 3.666 2.647 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.381 4.757 3.367 1.00 0.00 H new ATOM 1107 N CYS A 69 -4.138 8.021 -2.856 1.00 0.00 N ATOM 1108 CA CYS A 69 -4.759 8.469 -4.115 1.00 0.00 C ATOM 1109 C CYS A 69 -6.244 8.827 -3.914 1.00 0.00 C ATOM 1110 O CYS A 69 -7.082 7.933 -3.794 1.00 0.00 O ATOM 1111 CB CYS A 69 -4.672 7.370 -5.184 1.00 0.00 C ATOM 1112 SG CYS A 69 -2.972 6.733 -5.347 1.00 0.00 S ATOM 0 H CYS A 69 -3.575 7.175 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.213 9.355 -4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.345 6.553 -4.923 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.007 7.766 -6.143 1.00 0.00 H new ATOM 1117 N PRO A 70 -6.597 10.126 -3.877 1.00 0.00 N ATOM 1118 CA PRO A 70 -7.998 10.541 -3.688 1.00 0.00 C ATOM 1119 C PRO A 70 -8.796 10.517 -4.991 1.00 0.00 C ATOM 1120 O PRO A 70 -8.357 9.954 -5.994 1.00 0.00 O ATOM 1121 CB PRO A 70 -7.849 11.966 -3.173 1.00 0.00 C ATOM 1122 CG PRO A 70 -6.494 12.476 -3.648 1.00 0.00 C ATOM 1123 CD PRO A 70 -5.645 11.254 -4.016 1.00 0.00 C ATOM 0 HA PRO A 70 -8.546 9.877 -3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.652 12.598 -3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.910 11.990 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.612 13.134 -4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.008 13.059 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.253 11.327 -5.030 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.789 11.143 -3.350 1.00 0.00 H new ATOM 1131 N SER A 71 -9.973 11.134 -4.962 1.00 0.00 N ATOM 1132 CA SER A 71 -10.828 11.179 -6.146 1.00 0.00 C ATOM 1133 C SER A 71 -11.901 12.251 -5.989 1.00 0.00 C ATOM 1134 O SER A 71 -11.874 13.282 -6.660 1.00 0.00 O ATOM 1135 CB SER A 71 -11.503 9.826 -6.370 1.00 0.00 C ATOM 1136 OG SER A 71 -10.636 8.988 -7.124 1.00 0.00 O ATOM 0 H SER A 71 -10.355 11.605 -4.142 1.00 0.00 H new ATOM 0 HA SER A 71 -10.201 11.418 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.736 9.360 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.447 9.961 -6.898 1.00 0.00 H new ATOM 0 HG SER A 71 -9.705 9.235 -6.945 1.00 0.00 H new ATOM 1142 N LYS A 72 -12.850 11.993 -5.093 1.00 0.00 N ATOM 1143 CA LYS A 72 -13.934 12.942 -4.852 1.00 0.00 C ATOM 1144 C LYS A 72 -14.648 12.613 -3.545 1.00 0.00 C ATOM 1145 O LYS A 72 -14.478 11.530 -2.983 1.00 0.00 O ATOM 1146 CB LYS A 72 -14.947 12.901 -5.997 1.00 0.00 C ATOM 1147 CG LYS A 72 -14.524 13.886 -7.088 1.00 0.00 C ATOM 1148 CD LYS A 72 -15.769 14.471 -7.761 1.00 0.00 C ATOM 1149 CE LYS A 72 -15.511 15.932 -8.133 1.00 0.00 C ATOM 1150 NZ LYS A 72 -14.912 16.000 -9.496 1.00 0.00 N ATOM 0 H LYS A 72 -12.891 11.145 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.500 13.940 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.008 11.893 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.940 13.156 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.921 14.685 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.902 13.381 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.017 13.896 -8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.625 14.402 -7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.444 16.495 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.840 16.390 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.737 16.993 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.014 15.476 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.567 15.578 -10.185 1.00 0.00 H new ATOM 1164 N ARG A 73 -15.450 13.560 -3.068 1.00 0.00 N ATOM 1165 CA ARG A 73 -16.190 13.364 -1.825 1.00 0.00 C ATOM 1166 C ARG A 73 -17.557 12.745 -2.110 1.00 0.00 C ATOM 1167 O ARG A 73 -18.584 13.424 -2.087 1.00 0.00 O ATOM 1168 CB ARG A 73 -16.382 14.699 -1.101 1.00 0.00 C ATOM 1169 CG ARG A 73 -15.203 14.943 -0.156 1.00 0.00 C ATOM 1170 CD ARG A 73 -15.353 14.063 1.086 1.00 0.00 C ATOM 1171 NE ARG A 73 -16.466 14.528 1.918 1.00 0.00 N ATOM 1172 CZ ARG A 73 -16.405 15.672 2.616 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -15.336 16.431 2.585 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -17.428 16.035 3.339 1.00 0.00 N ATOM 0 H ARG A 73 -15.604 14.463 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.614 12.690 -1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.455 15.510 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.316 14.689 -0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.265 14.718 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.166 15.994 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.523 13.029 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.429 14.080 1.664 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.314 13.964 1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.531 16.155 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.310 17.297 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.264 15.451 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.392 16.903 3.874 1.00 0.00 H new ATOM 1188 N LYS A 74 -17.554 11.442 -2.380 1.00 0.00 N ATOM 1189 CA LYS A 74 -18.797 10.732 -2.671 1.00 0.00 C ATOM 1190 C LYS A 74 -18.522 9.250 -2.901 1.00 0.00 C ATOM 1191 O LYS A 74 -17.471 8.791 -2.485 1.00 0.00 O ATOM 1192 CB LYS A 74 -19.469 11.313 -3.917 1.00 0.00 C ATOM 1193 CG LYS A 74 -18.474 11.324 -5.077 1.00 0.00 C ATOM 1194 CD LYS A 74 -19.223 11.544 -6.394 1.00 0.00 C ATOM 1195 CE LYS A 74 -19.843 12.943 -6.408 1.00 0.00 C ATOM 1196 NZ LYS A 74 -21.286 12.852 -6.045 1.00 0.00 N ATOM 1197 OXT LYS A 74 -19.365 8.595 -3.490 1.00 0.00 O ATOM 0 H LYS A 74 -16.715 10.862 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 74 -19.460 10.851 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -20.344 10.719 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.819 12.325 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.737 12.114 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.928 10.381 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.540 11.430 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.001 10.790 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.320 13.591 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.733 13.391 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -21.866 12.940 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.473 11.934 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.527 13.618 -5.384 1.00 0.00 H new TER 1211 LYS A 74