USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 0 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 31 SER OG : rot 80:sc= -2.43! USER MOD Set 1.2: A 39 ASN : amide:sc= -16.2! C(o=-23!,f=-31!) USER MOD Set 1.3: A 43 THR OG1 : rot -89:sc= -4.11! USER MOD Single : A 1 LYS N :NH3+ -133:sc= 0.0372 (180deg=-0.4) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.058) USER MOD Single : A 5 GLN : amide:sc= -0.0021 K(o=-0.0021,f=-1.4!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-5.3!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 15 MET CE :methyl 179:sc= -1.44! (180deg=-1.46!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= -0.975 (180deg=-1.03) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.194 (180deg=-1.04) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.11 (180deg=1.08) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 36 MET CE :methyl -161:sc= -0.0378 (180deg=-0.503) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= -2.01! (180deg=-2.03!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -96:sc= 1.24 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.381 10.255 -3.998 1.00 0.00 N ATOM 2 CA LYS A 1 -6.939 11.434 -3.201 1.00 0.00 C ATOM 3 C LYS A 1 -7.950 11.703 -2.083 1.00 0.00 C ATOM 4 O LYS A 1 -8.962 11.040 -1.977 1.00 0.00 O ATOM 5 CB LYS A 1 -6.849 12.660 -4.112 1.00 0.00 C ATOM 6 CG LYS A 1 -5.766 12.431 -5.168 1.00 0.00 C ATOM 7 CD LYS A 1 -5.597 13.701 -6.008 1.00 0.00 C ATOM 8 CE LYS A 1 -4.617 13.430 -7.151 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.141 14.726 -7.713 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.578 9.610 -4.138 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.140 9.758 -3.490 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.734 10.574 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.961 11.232 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.810 12.840 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.617 13.548 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.823 12.172 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.039 11.592 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.561 14.016 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.229 14.516 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.771 12.846 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.102 12.840 -7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.475 14.543 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.953 15.267 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.663 15.273 -6.968 1.00 0.00 H new ATOM 10 N ASN A 2 -7.683 12.671 -1.249 1.00 0.00 N ATOM 11 CA ASN A 2 -8.628 12.981 -0.139 1.00 0.00 C ATOM 12 C ASN A 2 -10.053 13.076 -0.693 1.00 0.00 C ATOM 13 O ASN A 2 -11.012 12.759 -0.018 1.00 0.00 O ATOM 14 CB ASN A 2 -8.241 14.316 0.502 1.00 0.00 C ATOM 15 CG ASN A 2 -6.817 14.224 1.053 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.012 15.108 0.840 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.470 13.183 1.759 1.00 0.00 N ATOM 0 H ASN A 2 -6.851 13.260 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.581 12.190 0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.306 15.117 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.937 14.562 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.523 13.112 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.146 12.440 1.938 1.00 0.00 H new ATOM 18 N GLU A 3 -10.196 13.511 -1.913 1.00 0.00 N ATOM 19 CA GLU A 3 -11.558 13.629 -2.508 1.00 0.00 C ATOM 20 C GLU A 3 -12.296 12.297 -2.364 1.00 0.00 C ATOM 21 O GLU A 3 -13.508 12.238 -2.432 1.00 0.00 O ATOM 22 CB GLU A 3 -11.437 13.987 -3.990 1.00 0.00 C ATOM 23 CG GLU A 3 -12.832 14.213 -4.577 1.00 0.00 C ATOM 24 CD GLU A 3 -12.726 14.379 -6.094 1.00 0.00 C ATOM 25 OE1 GLU A 3 -11.623 14.279 -6.606 1.00 0.00 O ATOM 26 OE2 GLU A 3 -13.749 14.603 -6.718 1.00 0.00 O ATOM 0 H GLU A 3 -9.429 13.790 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.114 14.410 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.831 14.885 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.930 13.186 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.480 13.370 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.285 15.100 -4.134 1.00 0.00 H new ATOM 27 N ASP A 4 -11.577 11.225 -2.168 1.00 0.00 N ATOM 28 CA ASP A 4 -12.240 9.898 -2.024 1.00 0.00 C ATOM 29 C ASP A 4 -12.974 9.837 -0.683 1.00 0.00 C ATOM 30 O ASP A 4 -13.916 9.087 -0.514 1.00 0.00 O ATOM 31 CB ASP A 4 -11.185 8.792 -2.080 1.00 0.00 C ATOM 32 CG ASP A 4 -10.164 9.004 -0.960 1.00 0.00 C ATOM 33 OD1 ASP A 4 -10.239 10.029 -0.303 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.326 8.136 -0.778 1.00 0.00 O ATOM 0 H ASP A 4 -10.559 11.211 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.955 9.759 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.659 7.816 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.685 8.800 -3.049 1.00 0.00 H new ATOM 35 N GLN A 5 -12.551 10.616 0.275 1.00 0.00 N ATOM 36 CA GLN A 5 -13.226 10.599 1.604 1.00 0.00 C ATOM 37 C GLN A 5 -14.674 11.067 1.447 1.00 0.00 C ATOM 38 O GLN A 5 -15.551 10.660 2.182 1.00 0.00 O ATOM 39 CB GLN A 5 -12.489 11.536 2.563 1.00 0.00 C ATOM 40 CG GLN A 5 -11.087 10.988 2.835 1.00 0.00 C ATOM 41 CD GLN A 5 -10.332 11.953 3.753 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.713 13.097 3.895 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.269 11.535 4.386 1.00 0.00 N ATOM 0 H GLN A 5 -11.767 11.264 0.195 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.213 9.585 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.423 12.535 2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.043 11.627 3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.153 10.004 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.546 10.862 1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.949 10.574 4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.759 12.170 5.000 1.00 0.00 H new ATOM 44 N GLU A 6 -14.931 11.921 0.493 1.00 0.00 N ATOM 45 CA GLU A 6 -16.322 12.415 0.290 1.00 0.00 C ATOM 46 C GLU A 6 -17.194 11.280 -0.252 1.00 0.00 C ATOM 47 O GLU A 6 -18.373 11.203 0.029 1.00 0.00 O ATOM 48 CB GLU A 6 -16.309 13.572 -0.709 1.00 0.00 C ATOM 49 CG GLU A 6 -15.533 14.749 -0.118 1.00 0.00 C ATOM 50 CD GLU A 6 -16.238 15.242 1.147 1.00 0.00 C ATOM 51 OE1 GLU A 6 -17.392 14.891 1.333 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.614 15.963 1.908 1.00 0.00 O ATOM 0 H GLU A 6 -14.238 12.297 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.728 12.760 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.850 13.253 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.329 13.876 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.513 14.445 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.465 15.556 -0.847 1.00 0.00 H new ATOM 53 N MET A 7 -16.624 10.402 -1.030 1.00 0.00 N ATOM 54 CA MET A 7 -17.423 9.276 -1.591 1.00 0.00 C ATOM 55 C MET A 7 -17.835 8.329 -0.462 1.00 0.00 C ATOM 56 O MET A 7 -18.831 7.638 -0.552 1.00 0.00 O ATOM 57 CB MET A 7 -16.581 8.514 -2.617 1.00 0.00 C ATOM 58 CG MET A 7 -16.231 9.446 -3.779 1.00 0.00 C ATOM 59 SD MET A 7 -15.064 8.618 -4.886 1.00 0.00 S ATOM 60 CE MET A 7 -14.852 9.985 -6.052 1.00 0.00 C ATOM 0 H MET A 7 -15.641 10.415 -1.301 1.00 0.00 H new ATOM 0 HA MET A 7 -18.316 9.671 -2.076 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.670 8.139 -2.150 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.131 7.648 -2.984 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.134 9.720 -4.324 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.795 10.370 -3.399 1.00 0.00 H new ATOM 0 HE1 MET A 7 -14.156 9.689 -6.837 1.00 0.00 H new ATOM 0 HE2 MET A 7 -15.815 10.237 -6.496 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.457 10.854 -5.526 1.00 0.00 H new ATOM 61 N CYS A 8 -17.080 8.292 0.602 1.00 0.00 N ATOM 62 CA CYS A 8 -17.434 7.391 1.734 1.00 0.00 C ATOM 63 C CYS A 8 -18.666 7.939 2.453 1.00 0.00 C ATOM 64 O CYS A 8 -19.425 7.206 3.054 1.00 0.00 O ATOM 65 CB CYS A 8 -16.260 7.316 2.713 1.00 0.00 C ATOM 66 SG CYS A 8 -14.795 6.697 1.848 1.00 0.00 S ATOM 0 H CYS A 8 -16.234 8.846 0.736 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.651 6.393 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -16.059 8.302 3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.509 6.659 3.547 1.00 0.00 H new ATOM 67 N HIS A 9 -18.877 9.225 2.391 1.00 0.00 N ATOM 68 CA HIS A 9 -20.064 9.815 3.065 1.00 0.00 C ATOM 69 C HIS A 9 -21.324 9.092 2.577 1.00 0.00 C ATOM 70 O HIS A 9 -22.138 8.644 3.361 1.00 0.00 O ATOM 71 CB HIS A 9 -20.153 11.308 2.721 1.00 0.00 C ATOM 72 CG HIS A 9 -21.531 11.823 3.036 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.642 11.447 2.300 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.994 12.680 4.003 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.709 12.070 2.830 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.370 12.835 3.872 1.00 0.00 N ATOM 0 H HIS A 9 -18.278 9.891 1.903 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.975 9.702 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.408 11.866 3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.930 11.461 1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.383 13.161 4.752 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.718 11.965 2.459 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.987 13.409 4.447 1.00 0.00 H new ATOM 77 N GLU A 10 -21.488 8.976 1.288 1.00 0.00 N ATOM 78 CA GLU A 10 -22.693 8.285 0.748 1.00 0.00 C ATOM 79 C GLU A 10 -22.617 6.789 1.065 1.00 0.00 C ATOM 80 O GLU A 10 -23.613 6.160 1.359 1.00 0.00 O ATOM 81 CB GLU A 10 -22.756 8.481 -0.768 1.00 0.00 C ATOM 82 CG GLU A 10 -22.962 9.964 -1.082 1.00 0.00 C ATOM 83 CD GLU A 10 -23.109 10.151 -2.592 1.00 0.00 C ATOM 84 OE1 GLU A 10 -22.886 9.191 -3.313 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.442 11.251 -3.004 1.00 0.00 O ATOM 0 H GLU A 10 -20.839 9.330 0.585 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.586 8.706 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.835 8.125 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.572 7.893 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.851 10.335 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.117 10.545 -0.714 1.00 0.00 H new ATOM 86 N PHE A 11 -21.447 6.211 1.008 1.00 0.00 N ATOM 87 CA PHE A 11 -21.327 4.756 1.307 1.00 0.00 C ATOM 88 C PHE A 11 -21.354 4.546 2.821 1.00 0.00 C ATOM 89 O PHE A 11 -21.524 3.443 3.302 1.00 0.00 O ATOM 90 CB PHE A 11 -20.016 4.210 0.735 1.00 0.00 C ATOM 91 CG PHE A 11 -20.290 2.893 0.045 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.171 1.973 0.626 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.676 2.595 -1.180 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.436 0.757 -0.014 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.943 1.383 -1.819 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.823 0.462 -1.237 1.00 0.00 C ATOM 0 H PHE A 11 -20.574 6.681 0.769 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.161 4.225 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.587 4.922 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.286 4.072 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.646 2.202 1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.996 3.304 -1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.113 0.046 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.471 1.155 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.029 -0.476 -1.732 1.00 0.00 H new ATOM 97 N GLN A 12 -21.196 5.598 3.579 1.00 0.00 N ATOM 98 CA GLN A 12 -21.222 5.454 5.060 1.00 0.00 C ATOM 99 C GLN A 12 -22.647 5.130 5.508 1.00 0.00 C ATOM 100 O GLN A 12 -22.868 4.591 6.574 1.00 0.00 O ATOM 101 CB GLN A 12 -20.767 6.761 5.712 1.00 0.00 C ATOM 102 CG GLN A 12 -20.645 6.558 7.224 1.00 0.00 C ATOM 103 CD GLN A 12 -20.256 7.881 7.888 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.974 8.852 7.215 1.00 0.00 O ATOM 105 NE2 GLN A 12 -20.227 7.959 9.190 1.00 0.00 N ATOM 0 H GLN A 12 -21.051 6.548 3.236 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.550 4.650 5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.809 7.073 5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.481 7.556 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -21.590 6.199 7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.896 5.797 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -20.464 7.144 9.755 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.968 8.835 9.643 1.00 0.00 H new ATOM 106 N ALA A 13 -23.618 5.448 4.697 1.00 0.00 N ATOM 107 CA ALA A 13 -25.028 5.153 5.071 1.00 0.00 C ATOM 108 C ALA A 13 -25.263 3.645 4.989 1.00 0.00 C ATOM 109 O ALA A 13 -26.088 3.095 5.691 1.00 0.00 O ATOM 110 CB ALA A 13 -25.975 5.871 4.106 1.00 0.00 C ATOM 0 H ALA A 13 -23.495 5.900 3.791 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.218 5.500 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.007 5.654 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.803 6.946 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.790 5.525 3.089 1.00 0.00 H new ATOM 111 N PHE A 14 -24.538 2.973 4.137 1.00 0.00 N ATOM 112 CA PHE A 14 -24.711 1.500 4.009 1.00 0.00 C ATOM 113 C PHE A 14 -23.848 0.795 5.056 1.00 0.00 C ATOM 114 O PHE A 14 -23.659 -0.404 5.012 1.00 0.00 O ATOM 115 CB PHE A 14 -24.280 1.055 2.610 1.00 0.00 C ATOM 116 CG PHE A 14 -25.173 1.698 1.577 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.367 1.074 1.197 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.806 2.918 0.997 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.194 1.669 0.238 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.633 3.514 0.038 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.827 2.890 -0.341 1.00 0.00 C ATOM 0 H PHE A 14 -23.833 3.382 3.524 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.758 1.241 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.242 1.334 2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.336 -0.031 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.650 0.133 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.885 3.399 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.115 1.187 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.350 4.455 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.466 3.350 -1.080 1.00 0.00 H new ATOM 122 N MET A 15 -23.320 1.530 5.997 1.00 0.00 N ATOM 123 CA MET A 15 -22.466 0.898 7.042 1.00 0.00 C ATOM 124 C MET A 15 -23.356 0.246 8.102 1.00 0.00 C ATOM 125 O MET A 15 -24.429 0.728 8.407 1.00 0.00 O ATOM 126 CB MET A 15 -21.594 1.965 7.707 1.00 0.00 C ATOM 127 CG MET A 15 -20.195 1.956 7.085 1.00 0.00 C ATOM 128 SD MET A 15 -19.155 3.167 7.940 1.00 0.00 S ATOM 129 CE MET A 15 -18.446 2.039 9.164 1.00 0.00 C ATOM 0 H MET A 15 -23.443 2.539 6.087 1.00 0.00 H new ATOM 0 HA MET A 15 -21.831 0.143 6.579 1.00 0.00 H new ATOM 0 HB2 MET A 15 -22.050 2.948 7.585 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.526 1.776 8.778 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.756 0.962 7.164 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.255 2.195 6.023 1.00 0.00 H new ATOM 0 HE1 MET A 15 -17.747 2.584 9.799 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.243 1.621 9.778 1.00 0.00 H new ATOM 0 HE3 MET A 15 -17.920 1.232 8.654 1.00 0.00 H new ATOM 130 N LYS A 16 -22.918 -0.843 8.673 1.00 0.00 N ATOM 131 CA LYS A 16 -23.739 -1.518 9.718 1.00 0.00 C ATOM 132 C LYS A 16 -22.822 -2.061 10.816 1.00 0.00 C ATOM 133 O LYS A 16 -21.865 -2.760 10.548 1.00 0.00 O ATOM 134 CB LYS A 16 -24.521 -2.674 9.092 1.00 0.00 C ATOM 135 CG LYS A 16 -25.564 -3.178 10.094 1.00 0.00 C ATOM 136 CD LYS A 16 -26.318 -4.367 9.495 1.00 0.00 C ATOM 137 CE LYS A 16 -27.376 -4.850 10.490 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.642 -6.300 10.269 1.00 0.00 N ATOM 0 H LYS A 16 -22.028 -1.294 8.461 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.437 -0.799 10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.010 -2.344 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -23.842 -3.482 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.077 -3.474 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.262 -2.378 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.791 -4.077 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -25.623 -5.175 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.033 -4.684 11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -28.295 -4.278 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.361 -6.628 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.987 -6.446 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.764 -6.839 10.409 1.00 0.00 H new ATOM 139 N ASN A 17 -23.109 -1.747 12.049 1.00 0.00 N ATOM 140 CA ASN A 17 -22.257 -2.247 13.163 1.00 0.00 C ATOM 141 C ASN A 17 -20.823 -1.751 12.970 1.00 0.00 C ATOM 142 O ASN A 17 -19.871 -2.424 13.315 1.00 0.00 O ATOM 143 CB ASN A 17 -22.272 -3.776 13.169 1.00 0.00 C ATOM 144 CG ASN A 17 -21.908 -4.284 14.567 1.00 0.00 C ATOM 145 OD1 ASN A 17 -21.638 -3.504 15.459 1.00 0.00 O ATOM 146 ND2 ASN A 17 -21.890 -5.569 14.796 1.00 0.00 N ATOM 0 H ASN A 17 -23.897 -1.165 12.333 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.645 -1.876 14.112 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.258 -4.142 12.883 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.564 -4.160 12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -21.649 -5.918 15.724 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.117 -6.224 14.047 1.00 0.00 H new ATOM 147 N GLY A 18 -20.658 -0.579 12.418 1.00 0.00 N ATOM 148 CA GLY A 18 -19.285 -0.045 12.201 1.00 0.00 C ATOM 149 C GLY A 18 -18.623 -0.813 11.057 1.00 0.00 C ATOM 150 O GLY A 18 -17.422 -0.999 11.029 1.00 0.00 O ATOM 0 H GLY A 18 -21.415 0.031 12.109 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.328 1.018 11.964 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.695 -0.145 13.112 1.00 0.00 H new ATOM 151 N LYS A 19 -19.401 -1.265 10.115 1.00 0.00 N ATOM 152 CA LYS A 19 -18.827 -2.027 8.972 1.00 0.00 C ATOM 153 C LYS A 19 -19.503 -1.577 7.677 1.00 0.00 C ATOM 154 O LYS A 19 -20.644 -1.163 7.676 1.00 0.00 O ATOM 155 CB LYS A 19 -19.084 -3.518 9.182 1.00 0.00 C ATOM 156 CG LYS A 19 -18.209 -4.330 8.224 1.00 0.00 C ATOM 157 CD LYS A 19 -19.082 -5.325 7.455 1.00 0.00 C ATOM 158 CE LYS A 19 -18.213 -6.470 6.932 1.00 0.00 C ATOM 159 NZ LYS A 19 -17.279 -5.948 5.894 1.00 0.00 N ATOM 0 H LYS A 19 -20.413 -1.139 10.087 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.754 -1.844 8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.864 -3.793 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.136 -3.744 9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.698 -3.664 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.437 -4.862 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.865 -5.716 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.579 -4.823 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.650 -6.918 7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.841 -7.255 6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.759 -6.740 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.820 -5.451 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.605 -5.289 6.333 1.00 0.00 H new ATOM 160 N LEU A 20 -18.813 -1.660 6.574 1.00 0.00 N ATOM 161 CA LEU A 20 -19.424 -1.238 5.283 1.00 0.00 C ATOM 162 C LEU A 20 -19.966 -2.468 4.550 1.00 0.00 C ATOM 163 O LEU A 20 -19.216 -3.290 4.061 1.00 0.00 O ATOM 164 CB LEU A 20 -18.366 -0.554 4.414 1.00 0.00 C ATOM 165 CG LEU A 20 -18.982 -0.180 3.064 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.973 0.969 3.258 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.876 0.258 2.102 1.00 0.00 C ATOM 0 H LEU A 20 -17.854 -2.001 6.511 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.239 -0.541 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.990 0.338 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.515 -1.219 4.266 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.502 -1.044 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.413 1.236 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.761 0.658 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.452 1.833 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.315 0.524 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.355 1.122 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.169 -0.560 1.964 1.00 0.00 H new ATOM 168 N PHE A 21 -21.262 -2.600 4.471 1.00 0.00 N ATOM 169 CA PHE A 21 -21.847 -3.777 3.769 1.00 0.00 C ATOM 170 C PHE A 21 -22.144 -3.408 2.315 1.00 0.00 C ATOM 171 O PHE A 21 -23.023 -2.618 2.031 1.00 0.00 O ATOM 172 CB PHE A 21 -23.144 -4.196 4.464 1.00 0.00 C ATOM 173 CG PHE A 21 -22.815 -4.987 5.706 1.00 0.00 C ATOM 174 CD1 PHE A 21 -22.582 -4.324 6.916 1.00 0.00 C ATOM 175 CD2 PHE A 21 -22.741 -6.385 5.649 1.00 0.00 C ATOM 176 CE1 PHE A 21 -22.275 -5.056 8.068 1.00 0.00 C ATOM 177 CE2 PHE A 21 -22.434 -7.118 6.802 1.00 0.00 C ATOM 178 CZ PHE A 21 -22.201 -6.453 8.011 1.00 0.00 C ATOM 0 H PHE A 21 -21.940 -1.945 4.861 1.00 0.00 H new ATOM 0 HA PHE A 21 -21.138 -4.604 3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -23.730 -3.315 4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -23.754 -4.796 3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.639 -3.246 6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -22.921 -6.897 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -22.095 -4.543 9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -22.377 -8.196 6.758 1.00 0.00 H new ATOM 0 HZ PHE A 21 -21.964 -7.018 8.901 1.00 0.00 H new ATOM 179 N CYS A 22 -21.417 -3.973 1.391 1.00 0.00 N ATOM 180 CA CYS A 22 -21.655 -3.654 -0.045 1.00 0.00 C ATOM 181 C CYS A 22 -23.100 -4.001 -0.415 1.00 0.00 C ATOM 182 O CYS A 22 -23.582 -5.078 -0.127 1.00 0.00 O ATOM 183 CB CYS A 22 -20.695 -4.469 -0.912 1.00 0.00 C ATOM 184 SG CYS A 22 -19.984 -3.403 -2.190 1.00 0.00 S ATOM 0 H CYS A 22 -20.668 -4.642 1.568 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.485 -2.591 -0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -19.903 -4.894 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.223 -5.304 -1.372 1.00 0.00 H new ATOM 185 N PRO A 23 -23.799 -3.061 -1.069 1.00 0.00 N ATOM 186 CA PRO A 23 -25.194 -3.256 -1.488 1.00 0.00 C ATOM 187 C PRO A 23 -25.306 -4.261 -2.639 1.00 0.00 C ATOM 188 O PRO A 23 -24.370 -4.474 -3.383 1.00 0.00 O ATOM 189 CB PRO A 23 -25.620 -1.869 -1.967 1.00 0.00 C ATOM 190 CG PRO A 23 -24.348 -1.200 -2.367 1.00 0.00 C ATOM 191 CD PRO A 23 -23.284 -1.736 -1.451 1.00 0.00 C ATOM 0 HA PRO A 23 -25.811 -3.653 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.313 -1.935 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.127 -1.315 -1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -24.108 -1.413 -3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -24.432 -0.117 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -22.320 -1.809 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -23.142 -1.094 -0.582 1.00 0.00 H new ATOM 192 N GLN A 24 -26.446 -4.879 -2.792 1.00 0.00 N ATOM 193 CA GLN A 24 -26.616 -5.867 -3.894 1.00 0.00 C ATOM 194 C GLN A 24 -26.494 -5.150 -5.240 1.00 0.00 C ATOM 195 O GLN A 24 -26.074 -5.723 -6.225 1.00 0.00 O ATOM 196 CB GLN A 24 -27.996 -6.519 -3.788 1.00 0.00 C ATOM 197 CG GLN A 24 -28.099 -7.665 -4.796 1.00 0.00 C ATOM 198 CD GLN A 24 -29.471 -8.330 -4.671 1.00 0.00 C ATOM 199 OE1 GLN A 24 -30.228 -8.023 -3.772 1.00 0.00 O ATOM 200 NE2 GLN A 24 -29.826 -9.235 -5.542 1.00 0.00 N ATOM 0 H GLN A 24 -27.266 -4.742 -2.201 1.00 0.00 H new ATOM 0 HA GLN A 24 -25.846 -6.634 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -28.156 -6.894 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -28.774 -5.781 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -27.957 -7.287 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -27.311 -8.396 -4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -29.191 -9.493 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -30.739 -9.684 -5.468 1.00 0.00 H new ATOM 201 N ASP A 25 -26.856 -3.897 -5.288 1.00 0.00 N ATOM 202 CA ASP A 25 -26.761 -3.141 -6.568 1.00 0.00 C ATOM 203 C ASP A 25 -25.484 -2.299 -6.566 1.00 0.00 C ATOM 204 O ASP A 25 -24.778 -2.227 -5.579 1.00 0.00 O ATOM 205 CB ASP A 25 -27.978 -2.224 -6.711 1.00 0.00 C ATOM 206 CG ASP A 25 -28.034 -1.266 -5.519 1.00 0.00 C ATOM 207 OD1 ASP A 25 -27.063 -1.208 -4.784 1.00 0.00 O ATOM 208 OD2 ASP A 25 -29.048 -0.605 -5.364 1.00 0.00 O ATOM 0 H ASP A 25 -27.214 -3.364 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.735 -3.840 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -27.916 -1.661 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -28.891 -2.817 -6.758 1.00 0.00 H new ATOM 209 N LYS A 26 -25.179 -1.660 -7.662 1.00 0.00 N ATOM 210 CA LYS A 26 -23.947 -0.825 -7.717 1.00 0.00 C ATOM 211 C LYS A 26 -24.316 0.603 -8.124 1.00 0.00 C ATOM 212 O LYS A 26 -25.118 0.818 -9.011 1.00 0.00 O ATOM 213 CB LYS A 26 -22.977 -1.414 -8.743 1.00 0.00 C ATOM 214 CG LYS A 26 -22.601 -2.837 -8.331 1.00 0.00 C ATOM 215 CD LYS A 26 -21.588 -3.406 -9.326 1.00 0.00 C ATOM 216 CE LYS A 26 -21.228 -4.838 -8.927 1.00 0.00 C ATOM 217 NZ LYS A 26 -22.477 -5.623 -8.718 1.00 0.00 N ATOM 0 H LYS A 26 -25.729 -1.680 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 26 -23.473 -0.812 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.436 -1.420 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.082 -0.795 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.179 -2.836 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.491 -3.466 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.005 -3.392 -10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -20.692 -2.786 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -20.620 -5.302 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -20.631 -4.834 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -22.267 -6.638 -8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -22.858 -5.424 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.179 -5.356 -9.437 1.00 0.00 H new ATOM 218 N LYS A 27 -23.735 1.580 -7.485 1.00 0.00 N ATOM 219 CA LYS A 27 -24.052 2.992 -7.838 1.00 0.00 C ATOM 220 C LYS A 27 -23.266 3.392 -9.088 1.00 0.00 C ATOM 221 O LYS A 27 -22.083 3.135 -9.197 1.00 0.00 O ATOM 222 CB LYS A 27 -23.664 3.909 -6.675 1.00 0.00 C ATOM 223 CG LYS A 27 -24.403 3.468 -5.409 1.00 0.00 C ATOM 224 CD LYS A 27 -24.936 4.701 -4.674 1.00 0.00 C ATOM 225 CE LYS A 27 -23.762 5.499 -4.104 1.00 0.00 C ATOM 226 NZ LYS A 27 -24.085 6.953 -4.144 1.00 0.00 N ATOM 0 H LYS A 27 -23.055 1.462 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.120 3.087 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -22.587 3.871 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -23.914 4.943 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.226 2.802 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -23.731 2.906 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.515 5.323 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -25.608 4.397 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.561 5.188 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -22.859 5.300 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -23.317 7.492 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.190 7.258 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.974 7.125 -3.632 1.00 0.00 H new ATOM 227 N PRO A 28 -23.943 4.036 -10.049 1.00 0.00 N ATOM 228 CA PRO A 28 -23.318 4.478 -11.302 1.00 0.00 C ATOM 229 C PRO A 28 -22.335 5.629 -11.073 1.00 0.00 C ATOM 230 O PRO A 28 -22.609 6.766 -11.404 1.00 0.00 O ATOM 231 CB PRO A 28 -24.500 4.962 -12.141 1.00 0.00 C ATOM 232 CG PRO A 28 -25.541 5.335 -11.139 1.00 0.00 C ATOM 233 CD PRO A 28 -25.373 4.384 -9.989 1.00 0.00 C ATOM 0 HA PRO A 28 -22.741 3.682 -11.773 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -24.224 5.814 -12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -24.857 4.181 -12.812 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -25.415 6.367 -10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -26.540 5.256 -11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.635 4.850 -9.039 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -26.007 3.504 -10.098 1.00 0.00 H new ATOM 234 N ILE A 29 -21.193 5.346 -10.508 1.00 0.00 N ATOM 235 CA ILE A 29 -20.199 6.430 -10.259 1.00 0.00 C ATOM 236 C ILE A 29 -18.818 5.988 -10.751 1.00 0.00 C ATOM 237 O ILE A 29 -18.318 4.946 -10.376 1.00 0.00 O ATOM 238 CB ILE A 29 -20.141 6.733 -8.755 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.473 8.093 -8.534 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.336 5.644 -8.036 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.033 8.047 -9.045 1.00 0.00 C ATOM 0 H ILE A 29 -20.905 4.414 -10.209 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.499 7.328 -10.799 1.00 0.00 H new ATOM 0 HB ILE A 29 -21.154 6.754 -8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.030 8.872 -9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.485 8.347 -7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.298 5.864 -6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.814 4.677 -8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.323 5.616 -8.437 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.560 9.016 -8.887 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.479 7.280 -8.504 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.032 7.812 -10.109 1.00 0.00 H new ATOM 242 N GLN A 30 -18.190 6.780 -11.577 1.00 0.00 N ATOM 243 CA GLN A 30 -16.837 6.408 -12.077 1.00 0.00 C ATOM 244 C GLN A 30 -15.804 6.751 -11.005 1.00 0.00 C ATOM 245 O GLN A 30 -15.561 7.903 -10.707 1.00 0.00 O ATOM 246 CB GLN A 30 -16.530 7.189 -13.355 1.00 0.00 C ATOM 247 CG GLN A 30 -17.536 6.803 -14.442 1.00 0.00 C ATOM 248 CD GLN A 30 -17.239 7.593 -15.717 1.00 0.00 C ATOM 249 OE1 GLN A 30 -16.629 8.642 -15.668 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.647 7.127 -16.866 1.00 0.00 N ATOM 0 H GLN A 30 -18.555 7.666 -11.926 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.803 5.341 -12.295 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.581 8.260 -13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.515 6.974 -13.690 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.478 5.733 -14.643 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.551 7.009 -14.102 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -18.159 6.246 -16.906 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.454 7.644 -17.724 1.00 0.00 H new ATOM 251 N SER A 31 -15.205 5.757 -10.409 1.00 0.00 N ATOM 252 CA SER A 31 -14.202 6.026 -9.343 1.00 0.00 C ATOM 253 C SER A 31 -12.855 6.400 -9.969 1.00 0.00 C ATOM 254 O SER A 31 -12.749 6.589 -11.165 1.00 0.00 O ATOM 255 CB SER A 31 -14.049 4.781 -8.474 1.00 0.00 C ATOM 256 OG SER A 31 -13.981 5.173 -7.112 1.00 0.00 O ATOM 0 H SER A 31 -15.367 4.771 -10.615 1.00 0.00 H new ATOM 0 HA SER A 31 -14.541 6.860 -8.728 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.891 4.107 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.148 4.235 -8.754 1.00 0.00 H new ATOM 0 HG SER A 31 -14.885 5.352 -6.778 1.00 0.00 H new ATOM 257 N LEU A 32 -11.829 6.528 -9.169 1.00 0.00 N ATOM 258 CA LEU A 32 -10.498 6.913 -9.724 1.00 0.00 C ATOM 259 C LEU A 32 -9.383 6.084 -9.077 1.00 0.00 C ATOM 260 O LEU A 32 -8.218 6.270 -9.366 1.00 0.00 O ATOM 261 CB LEU A 32 -10.248 8.393 -9.432 1.00 0.00 C ATOM 262 CG LEU A 32 -10.291 8.620 -7.918 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.865 8.650 -7.365 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.984 9.949 -7.616 1.00 0.00 C ATOM 0 H LEU A 32 -11.855 6.383 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.497 6.729 -10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.280 8.696 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.002 9.006 -9.926 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.846 7.809 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.896 8.812 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.373 7.700 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.309 9.459 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.013 10.108 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.433 10.762 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.001 9.926 -8.007 1.00 0.00 H new ATOM 265 N ASP A 33 -9.721 5.175 -8.206 1.00 0.00 N ATOM 266 CA ASP A 33 -8.666 4.347 -7.552 1.00 0.00 C ATOM 267 C ASP A 33 -8.297 3.175 -8.462 1.00 0.00 C ATOM 268 O ASP A 33 -7.608 2.258 -8.061 1.00 0.00 O ATOM 269 CB ASP A 33 -9.193 3.808 -6.225 1.00 0.00 C ATOM 270 CG ASP A 33 -8.110 2.963 -5.550 1.00 0.00 C ATOM 271 OD1 ASP A 33 -6.953 3.131 -5.899 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.456 2.165 -4.695 1.00 0.00 O ATOM 0 H ASP A 33 -10.678 4.969 -7.918 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.784 4.961 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.483 4.633 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.086 3.206 -6.394 1.00 0.00 H new ATOM 273 N GLY A 34 -8.757 3.194 -9.681 1.00 0.00 N ATOM 274 CA GLY A 34 -8.442 2.077 -10.615 1.00 0.00 C ATOM 275 C GLY A 34 -9.664 1.165 -10.726 1.00 0.00 C ATOM 276 O GLY A 34 -9.756 0.335 -11.608 1.00 0.00 O ATOM 0 H GLY A 34 -9.338 3.935 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.174 2.470 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.583 1.513 -10.252 1.00 0.00 H new ATOM 277 N ILE A 35 -10.606 1.322 -9.837 1.00 0.00 N ATOM 278 CA ILE A 35 -11.830 0.476 -9.887 1.00 0.00 C ATOM 279 C ILE A 35 -12.986 1.316 -10.434 1.00 0.00 C ATOM 280 O ILE A 35 -12.941 2.530 -10.415 1.00 0.00 O ATOM 281 CB ILE A 35 -12.163 -0.020 -8.477 1.00 0.00 C ATOM 282 CG1 ILE A 35 -10.984 -0.831 -7.930 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.410 -0.903 -8.525 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.820 -0.547 -6.436 1.00 0.00 C ATOM 0 H ILE A 35 -10.580 2.001 -9.077 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.666 -0.385 -10.535 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.350 0.835 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.154 -1.895 -8.092 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.070 -0.569 -8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.645 -1.255 -7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.249 -0.326 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.225 -1.758 -9.175 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.981 -1.124 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.630 0.516 -6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.731 -0.831 -5.910 1.00 0.00 H new ATOM 285 N MET A 36 -14.016 0.691 -10.937 1.00 0.00 N ATOM 286 CA MET A 36 -15.153 1.476 -11.497 1.00 0.00 C ATOM 287 C MET A 36 -16.392 1.332 -10.611 1.00 0.00 C ATOM 288 O MET A 36 -16.879 0.244 -10.378 1.00 0.00 O ATOM 289 CB MET A 36 -15.477 0.972 -12.905 1.00 0.00 C ATOM 290 CG MET A 36 -14.183 0.817 -13.706 1.00 0.00 C ATOM 291 SD MET A 36 -14.582 0.382 -15.418 1.00 0.00 S ATOM 292 CE MET A 36 -15.053 -1.338 -15.111 1.00 0.00 C ATOM 0 H MET A 36 -14.119 -0.323 -10.984 1.00 0.00 H new ATOM 0 HA MET A 36 -14.867 2.527 -11.535 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.998 0.016 -12.849 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.146 1.671 -13.407 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.612 1.745 -13.679 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.557 0.045 -13.260 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.015 -1.898 -16.045 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.363 -1.782 -14.393 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.066 -1.372 -14.709 1.00 0.00 H new ATOM 293 N PHE A 37 -16.915 2.432 -10.135 1.00 0.00 N ATOM 294 CA PHE A 37 -18.138 2.391 -9.278 1.00 0.00 C ATOM 295 C PHE A 37 -17.896 1.525 -8.041 1.00 0.00 C ATOM 296 O PHE A 37 -17.715 2.028 -6.950 1.00 0.00 O ATOM 297 CB PHE A 37 -19.321 1.822 -10.069 1.00 0.00 C ATOM 298 CG PHE A 37 -19.088 1.992 -11.553 1.00 0.00 C ATOM 299 CD1 PHE A 37 -19.369 3.216 -12.168 1.00 0.00 C ATOM 300 CD2 PHE A 37 -18.588 0.927 -12.309 1.00 0.00 C ATOM 301 CE1 PHE A 37 -19.149 3.377 -13.539 1.00 0.00 C ATOM 302 CE2 PHE A 37 -18.369 1.086 -13.681 1.00 0.00 C ATOM 303 CZ PHE A 37 -18.649 2.312 -14.297 1.00 0.00 C ATOM 0 H PHE A 37 -16.543 3.367 -10.305 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.367 3.409 -8.964 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.451 0.766 -9.833 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -20.240 2.330 -9.777 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.756 4.037 -11.583 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -18.371 -0.018 -11.833 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -19.365 4.323 -14.013 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -17.984 0.263 -14.265 1.00 0.00 H new ATOM 0 HZ PHE A 37 -18.479 2.436 -15.356 1.00 0.00 H new ATOM 304 N ILE A 38 -17.898 0.229 -8.197 1.00 0.00 N ATOM 305 CA ILE A 38 -17.673 -0.660 -7.021 1.00 0.00 C ATOM 306 C ILE A 38 -16.522 -0.102 -6.183 1.00 0.00 C ATOM 307 O ILE A 38 -16.444 -0.320 -4.990 1.00 0.00 O ATOM 308 CB ILE A 38 -17.329 -2.076 -7.500 1.00 0.00 C ATOM 309 CG1 ILE A 38 -15.889 -2.113 -8.016 1.00 0.00 C ATOM 310 CG2 ILE A 38 -18.282 -2.480 -8.627 1.00 0.00 C ATOM 311 CD1 ILE A 38 -15.527 -3.546 -8.414 1.00 0.00 C ATOM 0 H ILE A 38 -18.045 -0.252 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.578 -0.702 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 38 -17.432 -2.771 -6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.781 -1.448 -8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -15.206 -1.754 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.037 -3.486 -8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.308 -2.460 -8.260 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.180 -1.781 -9.458 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.501 -3.573 -8.782 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -15.619 -4.199 -7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.203 -3.888 -9.198 1.00 0.00 H new ATOM 312 N ASN A 39 -15.630 0.621 -6.803 1.00 0.00 N ATOM 313 CA ASN A 39 -14.483 1.203 -6.054 1.00 0.00 C ATOM 314 C ASN A 39 -14.967 1.760 -4.714 1.00 0.00 C ATOM 315 O ASN A 39 -14.570 1.297 -3.669 1.00 0.00 O ATOM 316 CB ASN A 39 -13.871 2.337 -6.870 1.00 0.00 C ATOM 317 CG ASN A 39 -12.506 2.705 -6.281 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.652 1.857 -6.130 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.266 3.941 -5.936 1.00 0.00 N ATOM 0 H ASN A 39 -15.647 0.834 -7.800 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.739 0.426 -5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.761 2.033 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.530 3.205 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.361 4.193 -5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.984 4.654 -6.063 1.00 0.00 H new ATOM 320 N LYS A 40 -15.809 2.761 -4.746 1.00 0.00 N ATOM 321 CA LYS A 40 -16.315 3.371 -3.478 1.00 0.00 C ATOM 322 C LYS A 40 -16.518 2.293 -2.413 1.00 0.00 C ATOM 323 O LYS A 40 -16.147 2.458 -1.268 1.00 0.00 O ATOM 324 CB LYS A 40 -17.647 4.073 -3.748 1.00 0.00 C ATOM 325 CG LYS A 40 -17.419 5.277 -4.663 1.00 0.00 C ATOM 326 CD LYS A 40 -18.664 6.165 -4.654 1.00 0.00 C ATOM 327 CE LYS A 40 -18.386 7.444 -5.445 1.00 0.00 C ATOM 328 NZ LYS A 40 -19.530 8.385 -5.282 1.00 0.00 N ATOM 0 H LYS A 40 -16.170 3.185 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.582 4.092 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.347 3.379 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.095 4.397 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.552 5.845 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.206 4.941 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.508 5.631 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.940 6.412 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.465 7.909 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.242 7.209 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.335 9.262 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.397 7.946 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.658 8.605 -4.274 1.00 0.00 H new ATOM 329 N CYS A 41 -17.102 1.192 -2.781 1.00 0.00 N ATOM 330 CA CYS A 41 -17.329 0.099 -1.794 1.00 0.00 C ATOM 331 C CYS A 41 -15.984 -0.501 -1.378 1.00 0.00 C ATOM 332 O CYS A 41 -15.674 -0.609 -0.208 1.00 0.00 O ATOM 333 CB CYS A 41 -18.180 -0.992 -2.441 1.00 0.00 C ATOM 334 SG CYS A 41 -18.809 -2.114 -1.169 1.00 0.00 S ATOM 0 H CYS A 41 -17.434 0.998 -3.726 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.839 0.500 -0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -19.011 -0.543 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.586 -1.547 -3.167 1.00 0.00 H new ATOM 335 N ALA A 42 -15.194 -0.907 -2.332 1.00 0.00 N ATOM 336 CA ALA A 42 -13.873 -1.520 -2.006 1.00 0.00 C ATOM 337 C ALA A 42 -12.849 -0.434 -1.656 1.00 0.00 C ATOM 338 O ALA A 42 -11.730 -0.727 -1.283 1.00 0.00 O ATOM 339 CB ALA A 42 -13.373 -2.312 -3.216 1.00 0.00 C ATOM 0 H ALA A 42 -15.406 -0.841 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.993 -2.181 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.408 -2.762 -2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.090 -3.096 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.265 -1.643 -4.069 1.00 0.00 H new ATOM 340 N THR A 43 -13.211 0.814 -1.771 1.00 0.00 N ATOM 341 CA THR A 43 -12.243 1.899 -1.444 1.00 0.00 C ATOM 342 C THR A 43 -12.618 2.530 -0.105 1.00 0.00 C ATOM 343 O THR A 43 -11.766 2.914 0.672 1.00 0.00 O ATOM 344 CB THR A 43 -12.280 2.965 -2.541 1.00 0.00 C ATOM 345 OG1 THR A 43 -11.988 2.362 -3.792 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.241 4.047 -2.239 1.00 0.00 C ATOM 0 H THR A 43 -14.132 1.129 -2.076 1.00 0.00 H new ATOM 0 HA THR A 43 -11.238 1.482 -1.379 1.00 0.00 H new ATOM 0 HB THR A 43 -13.271 3.417 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.020 2.375 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.268 4.806 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.465 4.509 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.248 3.598 -2.203 1.00 0.00 H new ATOM 347 N CYS A 44 -13.887 2.637 0.174 1.00 0.00 N ATOM 348 CA CYS A 44 -14.313 3.241 1.465 1.00 0.00 C ATOM 349 C CYS A 44 -14.354 2.156 2.541 1.00 0.00 C ATOM 350 O CYS A 44 -14.241 2.432 3.719 1.00 0.00 O ATOM 351 CB CYS A 44 -15.698 3.864 1.303 1.00 0.00 C ATOM 352 SG CYS A 44 -15.538 5.449 0.445 1.00 0.00 S ATOM 0 H CYS A 44 -14.646 2.333 -0.436 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.605 4.015 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.348 3.195 0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.161 4.010 2.279 1.00 0.00 H new ATOM 353 N LYS A 45 -14.504 0.920 2.147 1.00 0.00 N ATOM 354 CA LYS A 45 -14.539 -0.176 3.153 1.00 0.00 C ATOM 355 C LYS A 45 -13.362 -0.005 4.112 1.00 0.00 C ATOM 356 O LYS A 45 -13.520 -0.014 5.316 1.00 0.00 O ATOM 357 CB LYS A 45 -14.433 -1.528 2.445 1.00 0.00 C ATOM 358 CG LYS A 45 -14.651 -2.653 3.458 1.00 0.00 C ATOM 359 CD LYS A 45 -14.643 -4.002 2.735 1.00 0.00 C ATOM 360 CE LYS A 45 -15.000 -5.112 3.726 1.00 0.00 C ATOM 361 NZ LYS A 45 -15.133 -6.405 2.997 1.00 0.00 N ATOM 0 H LYS A 45 -14.603 0.624 1.176 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.476 -0.138 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.175 -1.593 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.454 -1.630 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.868 -2.630 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.600 -2.512 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.358 -3.990 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.661 -4.189 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.229 -5.192 4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.933 -4.872 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.376 -7.160 3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.884 -6.325 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.233 -6.634 2.530 1.00 0.00 H new ATOM 362 N MET A 46 -12.180 0.165 3.585 1.00 0.00 N ATOM 363 CA MET A 46 -10.993 0.352 4.464 1.00 0.00 C ATOM 364 C MET A 46 -11.045 1.756 5.069 1.00 0.00 C ATOM 365 O MET A 46 -10.518 2.004 6.136 1.00 0.00 O ATOM 366 CB MET A 46 -9.715 0.193 3.639 1.00 0.00 C ATOM 367 CG MET A 46 -9.661 -1.218 3.053 1.00 0.00 C ATOM 368 SD MET A 46 -8.115 -1.437 2.139 1.00 0.00 S ATOM 369 CE MET A 46 -8.505 -3.053 1.424 1.00 0.00 C ATOM 0 H MET A 46 -11.986 0.182 2.584 1.00 0.00 H new ATOM 0 HA MET A 46 -10.998 -0.393 5.259 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.692 0.932 2.838 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.841 0.373 4.264 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.731 -1.957 3.851 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.512 -1.381 2.392 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.671 -3.389 0.808 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.678 -3.773 2.224 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.401 -2.972 0.809 1.00 0.00 H new ATOM 370 N ILE A 47 -11.685 2.674 4.397 1.00 0.00 N ATOM 371 CA ILE A 47 -11.781 4.058 4.933 1.00 0.00 C ATOM 372 C ILE A 47 -12.817 4.088 6.060 1.00 0.00 C ATOM 373 O ILE A 47 -12.725 4.875 6.980 1.00 0.00 O ATOM 374 CB ILE A 47 -12.208 5.012 3.814 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.180 4.962 2.681 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.294 6.438 4.360 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.700 5.761 1.485 1.00 0.00 C ATOM 0 H ILE A 47 -12.145 2.523 3.499 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.811 4.371 5.320 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.184 4.710 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.229 5.372 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.995 3.928 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.598 7.115 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.026 6.475 5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.319 6.741 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.968 5.726 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.641 5.331 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.862 6.797 1.782 1.00 0.00 H new ATOM 378 N LEU A 48 -13.801 3.229 5.997 1.00 0.00 N ATOM 379 CA LEU A 48 -14.835 3.205 7.069 1.00 0.00 C ATOM 380 C LEU A 48 -14.303 2.407 8.260 1.00 0.00 C ATOM 381 O LEU A 48 -14.643 2.667 9.397 1.00 0.00 O ATOM 382 CB LEU A 48 -16.112 2.543 6.541 1.00 0.00 C ATOM 383 CG LEU A 48 -16.708 3.391 5.412 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.150 2.953 5.146 1.00 0.00 C ATOM 385 CD2 LEU A 48 -16.692 4.869 5.811 1.00 0.00 C ATOM 0 H LEU A 48 -13.932 2.546 5.251 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.062 4.225 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.889 1.540 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.837 2.434 7.348 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.113 3.253 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.572 3.557 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.163 1.903 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.744 3.087 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.117 5.468 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.283 5.008 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.665 5.185 5.996 1.00 0.00 H new ATOM 386 N GLU A 49 -13.466 1.437 8.007 1.00 0.00 N ATOM 387 CA GLU A 49 -12.908 0.622 9.122 1.00 0.00 C ATOM 388 C GLU A 49 -11.972 1.491 9.966 1.00 0.00 C ATOM 389 O GLU A 49 -11.880 1.336 11.167 1.00 0.00 O ATOM 390 CB GLU A 49 -12.127 -0.561 8.548 1.00 0.00 C ATOM 391 CG GLU A 49 -13.106 -1.582 7.963 1.00 0.00 C ATOM 392 CD GLU A 49 -12.326 -2.771 7.399 1.00 0.00 C ATOM 393 OE1 GLU A 49 -11.108 -2.717 7.415 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.961 -3.716 6.960 1.00 0.00 O ATOM 0 H GLU A 49 -13.145 1.174 7.075 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.722 0.251 9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.439 -0.216 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.523 -1.025 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.799 -1.920 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.704 -1.120 7.177 1.00 0.00 H new ATOM 395 N LYS A 50 -11.278 2.406 9.345 1.00 0.00 N ATOM 396 CA LYS A 50 -10.352 3.284 10.112 1.00 0.00 C ATOM 397 C LYS A 50 -11.145 4.056 11.168 1.00 0.00 C ATOM 398 O LYS A 50 -10.669 4.304 12.258 1.00 0.00 O ATOM 399 CB LYS A 50 -9.676 4.271 9.158 1.00 0.00 C ATOM 400 CG LYS A 50 -8.687 3.520 8.264 1.00 0.00 C ATOM 401 CD LYS A 50 -8.078 4.489 7.249 1.00 0.00 C ATOM 402 CE LYS A 50 -7.020 5.353 7.940 1.00 0.00 C ATOM 403 NZ LYS A 50 -5.858 5.537 7.028 1.00 0.00 N ATOM 0 H LYS A 50 -11.313 2.582 8.341 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.592 2.674 10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.425 4.774 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.156 5.043 9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.901 3.071 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.194 2.706 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.629 3.935 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.856 5.121 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.443 6.321 8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.697 4.880 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.139 6.124 7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.450 4.609 6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.173 6.006 6.155 1.00 0.00 H new ATOM 404 N GLU A 51 -12.354 4.435 10.853 1.00 0.00 N ATOM 405 CA GLU A 51 -13.178 5.188 11.839 1.00 0.00 C ATOM 406 C GLU A 51 -13.392 4.325 13.084 1.00 0.00 C ATOM 407 O GLU A 51 -13.478 4.823 14.189 1.00 0.00 O ATOM 408 CB GLU A 51 -14.532 5.529 11.215 1.00 0.00 C ATOM 409 CG GLU A 51 -14.322 6.460 10.019 1.00 0.00 C ATOM 410 CD GLU A 51 -15.679 6.845 9.428 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.668 6.255 9.831 1.00 0.00 O ATOM 412 OE2 GLU A 51 -15.707 7.725 8.583 1.00 0.00 O ATOM 0 H GLU A 51 -12.806 4.256 9.956 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.665 6.108 12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.037 4.617 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.175 6.008 11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.782 7.354 10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.711 5.966 9.263 1.00 0.00 H new ATOM 413 N ALA A 52 -13.477 3.034 12.914 1.00 0.00 N ATOM 414 CA ALA A 52 -13.683 2.141 14.089 1.00 0.00 C ATOM 415 C ALA A 52 -12.477 2.243 15.023 1.00 0.00 C ATOM 416 O ALA A 52 -12.587 2.063 16.219 1.00 0.00 O ATOM 417 CB ALA A 52 -13.837 0.696 13.610 1.00 0.00 C ATOM 0 H ALA A 52 -13.413 2.560 12.013 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.583 2.444 14.623 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.988 0.042 14.469 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.696 0.623 12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.937 0.392 13.076 1.00 0.00 H new ATOM 418 N LYS A 53 -11.323 2.531 14.485 1.00 0.00 N ATOM 419 CA LYS A 53 -10.110 2.646 15.341 1.00 0.00 C ATOM 420 C LYS A 53 -10.313 3.767 16.363 1.00 0.00 C ATOM 421 O LYS A 53 -9.863 3.684 17.488 1.00 0.00 O ATOM 422 CB LYS A 53 -8.896 2.967 14.467 1.00 0.00 C ATOM 423 CG LYS A 53 -7.631 2.966 15.329 1.00 0.00 C ATOM 424 CD LYS A 53 -6.426 3.344 14.464 1.00 0.00 C ATOM 425 CE LYS A 53 -5.144 3.201 15.288 1.00 0.00 C ATOM 426 NZ LYS A 53 -3.973 3.106 14.372 1.00 0.00 N ATOM 0 H LYS A 53 -11.169 2.691 13.490 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.942 1.703 15.862 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.805 2.231 13.668 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.024 3.939 13.991 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.738 3.673 16.152 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.480 1.982 15.772 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.380 2.702 13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.529 4.368 14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.030 4.056 15.954 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.200 2.312 15.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.102 3.009 14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.082 2.277 13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.917 3.966 13.790 1.00 0.00 H new ATOM 427 N SER A 54 -10.989 4.815 15.979 1.00 0.00 N ATOM 428 CA SER A 54 -11.223 5.940 16.928 1.00 0.00 C ATOM 429 C SER A 54 -12.038 5.438 18.121 1.00 0.00 C ATOM 430 O SER A 54 -11.953 5.969 19.210 1.00 0.00 O ATOM 431 CB SER A 54 -11.992 7.055 16.216 1.00 0.00 C ATOM 432 OG SER A 54 -13.304 6.606 15.912 1.00 0.00 O ATOM 0 H SER A 54 -11.389 4.941 15.049 1.00 0.00 H new ATOM 0 HA SER A 54 -10.266 6.326 17.279 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.037 7.941 16.849 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.473 7.342 15.301 1.00 0.00 H new ATOM 0 HG SER A 54 -13.332 6.280 14.988 1.00 0.00 H new ATOM 433 N GLN A 55 -12.827 4.417 17.924 1.00 0.00 N ATOM 434 CA GLN A 55 -13.647 3.882 19.048 1.00 0.00 C ATOM 435 C GLN A 55 -12.850 2.813 19.796 1.00 0.00 C ATOM 436 O GLN A 55 -11.718 2.568 19.411 1.00 0.00 O ATOM 437 CB GLN A 55 -14.932 3.266 18.492 1.00 0.00 C ATOM 438 CG GLN A 55 -15.782 4.358 17.840 1.00 0.00 C ATOM 439 CD GLN A 55 -17.045 3.733 17.244 1.00 0.00 C ATOM 440 OE1 GLN A 55 -17.116 2.534 17.060 1.00 0.00 O ATOM 441 NE2 GLN A 55 -18.054 4.501 16.934 1.00 0.00 N ATOM 442 OXT GLN A 55 -13.384 2.256 20.741 1.00 0.00 O ATOM 0 H GLN A 55 -12.939 3.931 17.034 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.899 4.692 19.733 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.691 2.494 17.762 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.493 2.784 19.293 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.051 5.114 18.578 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.210 4.862 17.061 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.995 5.508 17.088 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.901 4.095 16.538 1.00 0.00 H new TER 443 GLN A 55