USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 752 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 40 ASN : amide:sc= -2.37 X(o=-3.8,f=-4.1!) USER MOD Set 1.2: A 59 GLN :FLIP amide:sc= -1.38 F(o=-6.4!,f=-3.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.55 (180deg=-0.996) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 4 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-5.7!) USER MOD Single : A 5 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.926 K(o=-0.93,f=-1.8!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -168:sc= 0 (180deg=-0.00964) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 16 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.6) USER MOD Single : A 20 HIS : no HD1:sc= -0.837 X(o=-0.84,f=-0.99) USER MOD Single : A 21 THR OG1 : rot 87:sc= -0.376 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -123:sc=-0.00959 (180deg=-1.3) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00852 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= -0.0274 (180deg=-0.412) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=0.000785 USER MOD Single : A 50 GLN :FLIP amide:sc= -3.27! C(o=-5!,f=-3.3!) USER MOD Single : A 51 GLN : amide:sc= -2.44! C(o=-2.4!,f=-2.9!) USER MOD Single : A 52 ASN : amide:sc= -3.99! C(o=-4!,f=-12!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0709 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 38:sc= 1.19 USER MOD Single : A 68 GLN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.87! C(o=-3.9!,f=-4.9!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 145:sc= -0.101 (180deg=-0.7) USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0861) USER MOD Single : A 86 THR OG1 : rot 94:sc= 0.0628 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.074 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.711 32.090 -4.668 1.00 1.00 N ATOM 2 CA MET A 1 1.278 32.489 -4.772 1.00 1.00 C ATOM 3 C MET A 1 0.405 31.239 -4.776 1.00 1.00 C ATOM 4 O MET A 1 0.321 30.532 -5.779 1.00 1.00 O ATOM 5 CB MET A 1 1.066 33.279 -6.066 1.00 1.00 C ATOM 6 CG MET A 1 2.135 32.885 -7.087 1.00 1.00 C ATOM 7 SD MET A 1 1.733 33.617 -8.693 1.00 1.00 S ATOM 8 CE MET A 1 1.895 32.107 -9.677 1.00 1.00 C ATOM 0 H1 MET A 1 3.316 32.908 -4.884 1.00 1.00 H new ATOM 0 H2 MET A 1 2.910 31.758 -3.703 1.00 1.00 H new ATOM 0 H3 MET A 1 2.908 31.325 -5.344 1.00 1.00 H new ATOM 0 HA MET A 1 1.005 33.114 -3.921 1.00 1.00 H new ATOM 0 HB2 MET A 1 0.073 33.079 -6.468 1.00 1.00 H new ATOM 0 HB3 MET A 1 1.118 34.349 -5.864 1.00 1.00 H new ATOM 0 HG2 MET A 1 3.115 33.227 -6.754 1.00 1.00 H new ATOM 0 HG3 MET A 1 2.189 31.800 -7.173 1.00 1.00 H new ATOM 0 HE1 MET A 1 1.686 32.330 -10.723 1.00 1.00 H new ATOM 0 HE2 MET A 1 2.910 31.719 -9.584 1.00 1.00 H new ATOM 0 HE3 MET A 1 1.187 31.360 -9.317 1.00 1.00 H new ATOM 20 N GLY A 2 -0.245 30.975 -3.647 1.00 1.00 N ATOM 21 CA GLY A 2 -1.111 29.808 -3.531 1.00 1.00 C ATOM 22 C GLY A 2 -0.408 28.679 -2.784 1.00 1.00 C ATOM 23 O GLY A 2 -0.272 28.721 -1.561 1.00 1.00 O ATOM 0 H GLY A 2 -0.189 31.549 -2.806 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -2.027 30.081 -3.007 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -1.402 29.466 -4.524 1.00 1.00 H new ATOM 27 N HIS A 3 0.040 27.672 -3.527 1.00 1.00 N ATOM 28 CA HIS A 3 0.729 26.538 -2.924 1.00 1.00 C ATOM 29 C HIS A 3 -0.213 25.766 -2.005 1.00 1.00 C ATOM 30 O HIS A 3 -1.067 26.351 -1.341 1.00 1.00 O ATOM 31 CB HIS A 3 1.937 27.027 -2.123 1.00 1.00 C ATOM 32 CG HIS A 3 3.157 26.243 -2.527 1.00 1.00 C ATOM 33 ND1 HIS A 3 3.781 25.352 -1.669 1.00 1.00 N ATOM 34 CD2 HIS A 3 3.878 26.208 -3.695 1.00 1.00 C ATOM 35 CE1 HIS A 3 4.828 24.822 -2.325 1.00 1.00 C ATOM 36 NE2 HIS A 3 4.934 25.309 -3.565 1.00 1.00 N ATOM 0 H HIS A 3 -0.061 27.618 -4.541 1.00 1.00 H new ATOM 0 HA HIS A 3 1.065 25.875 -3.721 1.00 1.00 H new ATOM 0 HB2 HIS A 3 2.099 28.090 -2.301 1.00 1.00 H new ATOM 0 HB3 HIS A 3 1.752 26.908 -1.056 1.00 1.00 H new ATOM 0 HD2 HIS A 3 3.660 26.789 -4.579 1.00 1.00 H new ATOM 0 HE1 HIS A 3 5.501 24.092 -1.901 1.00 1.00 H new ATOM 0 HE2 HIS A 3 5.637 25.073 -4.265 1.00 1.00 H new ATOM 44 N HIS A 4 -0.051 24.447 -1.974 1.00 1.00 N ATOM 45 CA HIS A 4 -0.893 23.604 -1.133 1.00 1.00 C ATOM 46 C HIS A 4 -0.264 22.225 -0.958 1.00 1.00 C ATOM 47 O HIS A 4 -0.749 21.236 -1.509 1.00 1.00 O ATOM 48 CB HIS A 4 -2.280 23.458 -1.763 1.00 1.00 C ATOM 49 CG HIS A 4 -2.155 22.785 -3.101 1.00 1.00 C ATOM 50 ND1 HIS A 4 -0.967 22.774 -3.816 1.00 1.00 N ATOM 51 CD2 HIS A 4 -3.059 22.095 -3.870 1.00 1.00 C ATOM 52 CE1 HIS A 4 -1.186 22.098 -4.958 1.00 1.00 C ATOM 53 NE2 HIS A 4 -2.446 21.663 -5.042 1.00 1.00 N ATOM 0 H HIS A 4 0.650 23.942 -2.517 1.00 1.00 H new ATOM 0 HA HIS A 4 -0.986 24.076 -0.155 1.00 1.00 H new ATOM 0 HB2 HIS A 4 -2.928 22.874 -1.110 1.00 1.00 H new ATOM 0 HB3 HIS A 4 -2.743 24.438 -1.879 1.00 1.00 H new ATOM 0 HD2 HIS A 4 -4.090 21.915 -3.605 1.00 1.00 H new ATOM 0 HE1 HIS A 4 -0.435 21.928 -5.715 1.00 1.00 H new ATOM 0 HE2 HIS A 4 -2.868 21.129 -5.802 1.00 1.00 H new ATOM 61 N HIS A 5 0.816 22.166 -0.186 1.00 1.00 N ATOM 62 CA HIS A 5 1.502 20.902 0.055 1.00 1.00 C ATOM 63 C HIS A 5 2.069 20.863 1.470 1.00 1.00 C ATOM 64 O HIS A 5 3.155 21.380 1.730 1.00 1.00 O ATOM 65 CB HIS A 5 2.636 20.723 -0.956 1.00 1.00 C ATOM 66 CG HIS A 5 3.242 19.355 -0.792 1.00 1.00 C ATOM 67 ND1 HIS A 5 4.611 19.148 -0.808 1.00 1.00 N ATOM 68 CD2 HIS A 5 2.678 18.119 -0.608 1.00 1.00 C ATOM 69 CE1 HIS A 5 4.825 17.830 -0.639 1.00 1.00 C ATOM 70 NE2 HIS A 5 3.679 17.157 -0.510 1.00 1.00 N ATOM 0 H HIS A 5 1.233 22.972 0.280 1.00 1.00 H new ATOM 0 HA HIS A 5 0.782 20.091 -0.059 1.00 1.00 H new ATOM 0 HB2 HIS A 5 2.256 20.845 -1.970 1.00 1.00 H new ATOM 0 HB3 HIS A 5 3.396 21.490 -0.806 1.00 1.00 H new ATOM 0 HD2 HIS A 5 1.618 17.922 -0.548 1.00 1.00 H new ATOM 0 HE1 HIS A 5 5.803 17.373 -0.611 1.00 1.00 H new ATOM 0 HE2 HIS A 5 3.562 16.153 -0.370 1.00 1.00 H new ATOM 78 N HIS A 6 1.326 20.246 2.383 1.00 1.00 N ATOM 79 CA HIS A 6 1.764 20.143 3.770 1.00 1.00 C ATOM 80 C HIS A 6 1.384 18.788 4.355 1.00 1.00 C ATOM 81 O HIS A 6 1.213 18.648 5.566 1.00 1.00 O ATOM 82 CB HIS A 6 1.126 21.257 4.603 1.00 1.00 C ATOM 83 CG HIS A 6 -0.223 20.808 5.090 1.00 1.00 C ATOM 84 ND1 HIS A 6 -0.466 20.502 6.419 1.00 1.00 N ATOM 85 CD2 HIS A 6 -1.414 20.607 4.436 1.00 1.00 C ATOM 86 CE1 HIS A 6 -1.756 20.137 6.524 1.00 1.00 C ATOM 87 NE2 HIS A 6 -2.380 20.183 5.345 1.00 1.00 N ATOM 0 H HIS A 6 0.423 19.812 2.189 1.00 1.00 H new ATOM 0 HA HIS A 6 2.849 20.245 3.796 1.00 1.00 H new ATOM 0 HB2 HIS A 6 1.766 21.505 5.450 1.00 1.00 H new ATOM 0 HB3 HIS A 6 1.026 22.162 4.004 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -1.576 20.755 3.379 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -2.229 19.843 7.449 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -3.355 19.956 5.151 1.00 1.00 H new ATOM 95 N HIS A 7 1.254 17.790 3.486 1.00 1.00 N ATOM 96 CA HIS A 7 0.894 16.447 3.927 1.00 1.00 C ATOM 97 C HIS A 7 2.122 15.704 4.441 1.00 1.00 C ATOM 98 O HIS A 7 3.167 15.689 3.790 1.00 1.00 O ATOM 99 CB HIS A 7 0.270 15.667 2.768 1.00 1.00 C ATOM 100 CG HIS A 7 -1.195 15.989 2.677 1.00 1.00 C ATOM 101 ND1 HIS A 7 -1.656 17.222 2.242 1.00 1.00 N ATOM 102 CD2 HIS A 7 -2.318 15.250 2.960 1.00 1.00 C ATOM 103 CE1 HIS A 7 -3.001 17.188 2.275 1.00 1.00 C ATOM 104 NE2 HIS A 7 -3.455 16.009 2.705 1.00 1.00 N ATOM 0 H HIS A 7 1.391 17.885 2.480 1.00 1.00 H new ATOM 0 HA HIS A 7 0.171 16.533 4.738 1.00 1.00 H new ATOM 0 HB2 HIS A 7 0.768 15.924 1.833 1.00 1.00 H new ATOM 0 HB3 HIS A 7 0.409 14.597 2.920 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -2.318 14.234 3.325 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -3.635 18.014 1.989 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -4.428 15.725 2.822 1.00 1.00 H new ATOM 112 N HIS A 8 1.990 15.091 5.611 1.00 1.00 N ATOM 113 CA HIS A 8 3.098 14.349 6.204 1.00 1.00 C ATOM 114 C HIS A 8 2.983 12.863 5.877 1.00 1.00 C ATOM 115 O HIS A 8 3.859 12.072 6.227 1.00 1.00 O ATOM 116 CB HIS A 8 3.102 14.540 7.722 1.00 1.00 C ATOM 117 CG HIS A 8 2.994 16.006 8.043 1.00 1.00 C ATOM 118 ND1 HIS A 8 4.004 16.904 7.738 1.00 1.00 N ATOM 119 CD2 HIS A 8 2.003 16.744 8.640 1.00 1.00 C ATOM 120 CE1 HIS A 8 3.602 18.121 8.150 1.00 1.00 C ATOM 121 NE2 HIS A 8 2.389 18.079 8.708 1.00 1.00 N ATOM 0 H HIS A 8 1.134 15.092 6.165 1.00 1.00 H new ATOM 0 HA HIS A 8 4.030 14.731 5.788 1.00 1.00 H new ATOM 0 HB2 HIS A 8 2.270 13.996 8.170 1.00 1.00 H new ATOM 0 HB3 HIS A 8 4.017 14.130 8.149 1.00 1.00 H new ATOM 0 HD2 HIS A 8 1.066 16.349 9.002 1.00 1.00 H new ATOM 0 HE1 HIS A 8 4.189 19.021 8.043 1.00 1.00 H new ATOM 0 HE2 HIS A 8 1.860 18.858 9.100 1.00 1.00 H new ATOM 129 N MET A 9 1.897 12.493 5.204 1.00 1.00 N ATOM 130 CA MET A 9 1.679 11.099 4.835 1.00 1.00 C ATOM 131 C MET A 9 2.159 10.840 3.410 1.00 1.00 C ATOM 132 O MET A 9 2.013 11.691 2.532 1.00 1.00 O ATOM 133 CB MET A 9 0.194 10.758 4.945 1.00 1.00 C ATOM 134 CG MET A 9 -0.082 10.098 6.297 1.00 1.00 C ATOM 135 SD MET A 9 0.644 11.104 7.617 1.00 1.00 S ATOM 136 CE MET A 9 0.063 10.105 9.010 1.00 1.00 C ATOM 0 H MET A 9 1.161 13.133 4.906 1.00 1.00 H new ATOM 0 HA MET A 9 2.248 10.468 5.517 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.406 11.662 4.841 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.097 10.088 4.136 1.00 1.00 H new ATOM 0 HG2 MET A 9 -1.156 9.996 6.452 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.340 9.093 6.317 1.00 1.00 H new ATOM 0 HE1 MET A 9 0.214 10.654 9.939 1.00 1.00 H new ATOM 0 HE2 MET A 9 -0.998 9.889 8.885 1.00 1.00 H new ATOM 0 HE3 MET A 9 0.622 9.170 9.046 1.00 1.00 H new ATOM 146 N ASP A 10 2.730 9.660 3.191 1.00 1.00 N ATOM 147 CA ASP A 10 3.228 9.296 1.868 1.00 1.00 C ATOM 148 C ASP A 10 3.717 7.850 1.856 1.00 1.00 C ATOM 149 O ASP A 10 4.639 7.502 1.118 1.00 1.00 O ATOM 150 CB ASP A 10 4.377 10.225 1.467 1.00 1.00 C ATOM 151 CG ASP A 10 5.473 10.187 2.527 1.00 1.00 C ATOM 152 OD1 ASP A 10 6.187 9.199 2.576 1.00 1.00 O ATOM 153 OD2 ASP A 10 5.582 11.146 3.273 1.00 1.00 O ATOM 0 H ASP A 10 2.859 8.944 3.906 1.00 1.00 H new ATOM 0 HA ASP A 10 2.410 9.398 1.155 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.782 9.920 0.502 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.008 11.244 1.350 1.00 1.00 H new ATOM 158 N THR A 11 3.092 7.014 2.678 1.00 1.00 N ATOM 159 CA THR A 11 3.470 5.608 2.757 1.00 1.00 C ATOM 160 C THR A 11 2.277 4.764 3.193 1.00 1.00 C ATOM 161 O THR A 11 1.519 5.159 4.079 1.00 1.00 O ATOM 162 CB THR A 11 4.618 5.437 3.758 1.00 1.00 C ATOM 163 OG1 THR A 11 5.646 6.370 3.460 1.00 1.00 O ATOM 164 CG2 THR A 11 5.180 4.016 3.673 1.00 1.00 C ATOM 0 H THR A 11 2.326 7.283 3.295 1.00 1.00 H new ATOM 0 HA THR A 11 3.796 5.275 1.772 1.00 1.00 H new ATOM 0 HB THR A 11 4.242 5.612 4.766 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.380 6.263 4.100 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.995 3.904 4.388 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.393 3.299 3.905 1.00 1.00 H new ATOM 0 HG23 THR A 11 5.553 3.832 2.665 1.00 1.00 H new ATOM 172 N ILE A 12 2.121 3.600 2.571 1.00 1.00 N ATOM 173 CA ILE A 12 1.018 2.704 2.905 1.00 1.00 C ATOM 174 C ILE A 12 1.533 1.492 3.670 1.00 1.00 C ATOM 175 O ILE A 12 2.731 1.208 3.670 1.00 1.00 O ATOM 176 CB ILE A 12 0.312 2.243 1.628 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.623 3.224 0.494 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.199 2.200 1.866 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.349 2.988 -0.663 1.00 1.00 C ATOM 0 H ILE A 12 2.740 3.256 1.837 1.00 1.00 H new ATOM 0 HA ILE A 12 0.310 3.245 3.533 1.00 1.00 H new ATOM 0 HB ILE A 12 0.664 1.248 1.356 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.537 4.250 0.852 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.650 3.090 0.154 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.701 1.872 0.956 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.420 1.503 2.674 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -1.553 3.195 2.137 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.129 3.686 -1.471 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.241 1.966 -1.026 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.371 3.144 -0.317 1.00 1.00 H new ATOM 191 N ILE A 13 0.621 0.777 4.321 1.00 1.00 N ATOM 192 CA ILE A 13 1.003 -0.408 5.084 1.00 1.00 C ATOM 193 C ILE A 13 -0.108 -1.453 5.050 1.00 1.00 C ATOM 194 O ILE A 13 -1.259 -1.166 5.373 1.00 1.00 O ATOM 195 CB ILE A 13 1.323 -0.030 6.536 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.219 -1.110 7.150 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.030 0.083 7.353 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.301 -0.914 8.664 1.00 1.00 C ATOM 0 H ILE A 13 -0.376 0.993 4.337 1.00 1.00 H new ATOM 0 HA ILE A 13 1.895 -0.834 4.625 1.00 1.00 H new ATOM 0 HB ILE A 13 1.835 0.932 6.550 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.820 -2.099 6.923 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.216 -1.060 6.713 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.272 0.352 8.381 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.609 0.851 6.918 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.493 -0.873 7.341 1.00 1.00 H new ATOM 0 HD11 ILE A 13 2.939 -1.684 9.097 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.720 0.069 8.882 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.302 -0.986 9.095 1.00 1.00 H new ATOM 210 N LEU A 14 0.251 -2.669 4.655 1.00 1.00 N ATOM 211 CA LEU A 14 -0.716 -3.756 4.580 1.00 1.00 C ATOM 212 C LEU A 14 -0.894 -4.402 5.952 1.00 1.00 C ATOM 213 O LEU A 14 0.057 -4.504 6.727 1.00 1.00 O ATOM 214 CB LEU A 14 -0.243 -4.800 3.568 1.00 1.00 C ATOM 215 CG LEU A 14 0.450 -4.100 2.398 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.770 -5.123 1.307 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.476 -3.022 1.829 1.00 1.00 C ATOM 0 H LEU A 14 1.200 -2.926 4.383 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.676 -3.353 4.257 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.443 -5.499 4.045 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.091 -5.382 3.207 1.00 1.00 H new ATOM 0 HG LEU A 14 1.375 -3.640 2.747 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.264 -4.624 0.473 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.429 -5.892 1.711 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.154 -5.584 0.958 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.017 -2.522 0.995 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.400 -3.483 1.481 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.705 -2.292 2.605 1.00 1.00 H new ATOM 229 N ARG A 15 -2.121 -4.830 6.242 1.00 1.00 N ATOM 230 CA ARG A 15 -2.426 -5.457 7.524 1.00 1.00 C ATOM 231 C ARG A 15 -3.089 -6.816 7.310 1.00 1.00 C ATOM 232 O ARG A 15 -3.790 -7.025 6.321 1.00 1.00 O ATOM 233 CB ARG A 15 -3.352 -4.537 8.331 1.00 1.00 C ATOM 234 CG ARG A 15 -4.202 -5.348 9.313 1.00 1.00 C ATOM 235 CD ARG A 15 -4.800 -4.405 10.363 1.00 1.00 C ATOM 236 NE ARG A 15 -3.954 -4.382 11.551 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.349 -3.777 12.668 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.511 -3.187 12.715 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.571 -3.773 13.716 1.00 1.00 N ATOM 0 H ARG A 15 -2.917 -4.754 5.608 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.499 -5.613 8.075 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.758 -3.804 8.876 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.001 -3.982 7.654 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.997 -5.868 8.780 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.591 -6.110 9.797 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.891 -3.400 9.952 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.805 -4.733 10.628 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.042 -4.838 11.525 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -6.118 -3.189 11.895 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.813 -2.723 13.572 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.662 -4.233 13.678 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.872 -3.310 14.573 1.00 1.00 H new ATOM 253 N ASN A 16 -2.856 -7.732 8.248 1.00 1.00 N ATOM 254 CA ASN A 16 -3.427 -9.075 8.174 1.00 1.00 C ATOM 255 C ASN A 16 -2.926 -9.811 6.936 1.00 1.00 C ATOM 256 O ASN A 16 -3.712 -10.201 6.073 1.00 1.00 O ATOM 257 CB ASN A 16 -4.956 -8.995 8.146 1.00 1.00 C ATOM 258 CG ASN A 16 -5.556 -10.390 8.268 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.232 -11.131 9.197 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.428 -10.792 7.384 1.00 1.00 N ATOM 0 H ASN A 16 -2.274 -7.568 9.070 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.111 -9.629 9.058 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.310 -8.366 8.963 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.287 -8.528 7.218 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.842 -11.721 7.462 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.695 -10.177 6.615 1.00 1.00 H new ATOM 267 N ILE A 17 -1.611 -9.995 6.857 1.00 1.00 N ATOM 268 CA ILE A 17 -1.010 -10.685 5.720 1.00 1.00 C ATOM 269 C ILE A 17 -0.643 -12.117 6.100 1.00 1.00 C ATOM 270 O ILE A 17 -0.459 -12.429 7.278 1.00 1.00 O ATOM 271 CB ILE A 17 0.252 -9.948 5.255 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.126 -8.438 5.519 1.00 1.00 C ATOM 273 CG2 ILE A 17 0.465 -10.196 3.760 1.00 1.00 C ATOM 274 CD1 ILE A 17 -1.065 -7.855 4.746 1.00 1.00 C ATOM 0 H ILE A 17 -0.945 -9.678 7.562 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.739 -10.702 4.909 1.00 1.00 H new ATOM 0 HB ILE A 17 1.107 -10.327 5.816 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -0.003 -8.259 6.586 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.044 -7.933 5.220 1.00 1.00 H new ATOM 0 HG21 ILE A 17 1.362 -9.673 3.428 1.00 1.00 H new ATOM 0 HG22 ILE A 17 0.582 -11.265 3.582 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -0.397 -9.827 3.204 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -1.139 -6.786 4.944 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.920 -8.017 3.678 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.983 -8.348 5.066 1.00 1.00 H new ATOM 286 N ALA A 18 -0.540 -12.986 5.098 1.00 1.00 N ATOM 287 CA ALA A 18 -0.195 -14.381 5.346 1.00 1.00 C ATOM 288 C ALA A 18 1.326 -14.563 5.373 1.00 1.00 C ATOM 289 O ALA A 18 2.063 -13.727 4.849 1.00 1.00 O ATOM 290 CB ALA A 18 -0.797 -15.270 4.256 1.00 1.00 C ATOM 0 H ALA A 18 -0.689 -12.751 4.117 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.602 -14.669 6.316 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.535 -16.310 4.449 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.882 -15.163 4.257 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.404 -14.971 3.284 1.00 1.00 H new ATOM 296 N PRO A 19 1.803 -15.630 5.967 1.00 1.00 N ATOM 297 CA PRO A 19 3.267 -15.915 6.056 1.00 1.00 C ATOM 298 C PRO A 19 3.849 -16.415 4.733 1.00 1.00 C ATOM 299 O PRO A 19 5.030 -16.753 4.655 1.00 1.00 O ATOM 300 CB PRO A 19 3.349 -17.007 7.121 1.00 1.00 C ATOM 301 CG PRO A 19 2.045 -17.726 7.035 1.00 1.00 C ATOM 302 CD PRO A 19 1.006 -16.682 6.623 1.00 1.00 C ATOM 0 HA PRO A 19 3.841 -15.020 6.295 1.00 1.00 H new ATOM 0 HB2 PRO A 19 4.185 -17.681 6.932 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.501 -16.581 8.113 1.00 1.00 H new ATOM 0 HG2 PRO A 19 2.094 -18.535 6.306 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.785 -18.176 7.993 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.264 -17.103 5.945 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.465 -16.294 7.486 1.00 1.00 H new ATOM 310 N HIS A 20 3.011 -16.471 3.701 1.00 1.00 N ATOM 311 CA HIS A 20 3.451 -16.947 2.390 1.00 1.00 C ATOM 312 C HIS A 20 3.576 -15.792 1.400 1.00 1.00 C ATOM 313 O HIS A 20 3.544 -15.999 0.187 1.00 1.00 O ATOM 314 CB HIS A 20 2.449 -17.967 1.850 1.00 1.00 C ATOM 315 CG HIS A 20 2.978 -18.563 0.575 1.00 1.00 C ATOM 316 ND1 HIS A 20 2.281 -18.490 -0.620 1.00 1.00 N ATOM 317 CD2 HIS A 20 4.138 -19.240 0.290 1.00 1.00 C ATOM 318 CE1 HIS A 20 3.018 -19.110 -1.560 1.00 1.00 C ATOM 319 NE2 HIS A 20 4.161 -19.585 -1.058 1.00 1.00 N ATOM 0 H HIS A 20 2.030 -16.195 3.745 1.00 1.00 H new ATOM 0 HA HIS A 20 4.430 -17.411 2.508 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.279 -18.751 2.588 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.487 -17.487 1.668 1.00 1.00 H new ATOM 0 HD2 HIS A 20 4.915 -19.470 1.004 1.00 1.00 H new ATOM 0 HE1 HIS A 20 2.722 -19.211 -2.594 1.00 1.00 H new ATOM 0 HE2 HIS A 20 4.893 -20.092 -1.556 1.00 1.00 H new ATOM 327 N THR A 21 3.710 -14.581 1.920 1.00 1.00 N ATOM 328 CA THR A 21 3.832 -13.404 1.068 1.00 1.00 C ATOM 329 C THR A 21 5.286 -13.145 0.694 1.00 1.00 C ATOM 330 O THR A 21 6.185 -13.275 1.527 1.00 1.00 O ATOM 331 CB THR A 21 3.259 -12.184 1.788 1.00 1.00 C ATOM 332 OG1 THR A 21 1.883 -12.405 2.057 1.00 1.00 O ATOM 333 CG2 THR A 21 3.416 -10.945 0.906 1.00 1.00 C ATOM 0 H THR A 21 3.737 -14.386 2.921 1.00 1.00 H new ATOM 0 HA THR A 21 3.271 -13.586 0.151 1.00 1.00 H new ATOM 0 HB THR A 21 3.795 -12.027 2.724 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.788 -12.875 2.911 1.00 1.00 H new ATOM 0 HG21 THR A 21 3.006 -10.077 1.422 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.473 -10.778 0.698 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.881 -11.096 -0.032 1.00 1.00 H new ATOM 341 N VAL A 22 5.510 -12.775 -0.562 1.00 1.00 N ATOM 342 CA VAL A 22 6.857 -12.492 -1.042 1.00 1.00 C ATOM 343 C VAL A 22 6.867 -11.211 -1.871 1.00 1.00 C ATOM 344 O VAL A 22 5.929 -10.940 -2.622 1.00 1.00 O ATOM 345 CB VAL A 22 7.365 -13.657 -1.892 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.331 -14.508 -1.064 1.00 1.00 C ATOM 347 CG2 VAL A 22 6.180 -14.518 -2.333 1.00 1.00 C ATOM 0 H VAL A 22 4.778 -12.664 -1.264 1.00 1.00 H new ATOM 0 HA VAL A 22 7.512 -12.362 -0.180 1.00 1.00 H new ATOM 0 HB VAL A 22 7.882 -13.269 -2.770 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.694 -15.339 -1.669 1.00 1.00 H new ATOM 0 HG12 VAL A 22 9.174 -13.895 -0.746 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.813 -14.897 -0.187 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.540 -15.349 -2.939 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.665 -14.906 -1.454 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.489 -13.913 -2.920 1.00 1.00 H new ATOM 357 N VAL A 23 7.931 -10.426 -1.732 1.00 1.00 N ATOM 358 CA VAL A 23 8.045 -9.178 -2.475 1.00 1.00 C ATOM 359 C VAL A 23 7.764 -9.405 -3.957 1.00 1.00 C ATOM 360 O VAL A 23 7.390 -8.480 -4.679 1.00 1.00 O ATOM 361 CB VAL A 23 9.450 -8.597 -2.305 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.645 -7.433 -3.278 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.623 -8.091 -0.870 1.00 1.00 C ATOM 0 H VAL A 23 8.719 -10.630 -1.118 1.00 1.00 H new ATOM 0 HA VAL A 23 7.309 -8.476 -2.082 1.00 1.00 H new ATOM 0 HB VAL A 23 10.188 -9.372 -2.512 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.646 -7.020 -3.156 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.522 -7.789 -4.301 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.906 -6.659 -3.072 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.624 -7.677 -0.748 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.883 -7.317 -0.665 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.485 -8.918 -0.173 1.00 1.00 H new ATOM 373 N ASP A 24 7.945 -10.643 -4.405 1.00 1.00 N ATOM 374 CA ASP A 24 7.710 -10.982 -5.804 1.00 1.00 C ATOM 375 C ASP A 24 6.235 -10.819 -6.160 1.00 1.00 C ATOM 376 O ASP A 24 5.893 -10.165 -7.144 1.00 1.00 O ATOM 377 CB ASP A 24 8.142 -12.426 -6.070 1.00 1.00 C ATOM 378 CG ASP A 24 8.971 -12.495 -7.347 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.474 -12.067 -8.377 1.00 1.00 O ATOM 380 OD2 ASP A 24 10.088 -12.979 -7.280 1.00 1.00 O ATOM 0 H ASP A 24 8.252 -11.423 -3.824 1.00 1.00 H new ATOM 0 HA ASP A 24 8.297 -10.304 -6.424 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.724 -12.801 -5.228 1.00 1.00 H new ATOM 0 HB3 ASP A 24 7.264 -13.066 -6.161 1.00 1.00 H new ATOM 385 N SER A 25 5.366 -11.420 -5.355 1.00 1.00 N ATOM 386 CA SER A 25 3.930 -11.336 -5.597 1.00 1.00 C ATOM 387 C SER A 25 3.423 -9.917 -5.362 1.00 1.00 C ATOM 388 O SER A 25 2.594 -9.411 -6.118 1.00 1.00 O ATOM 389 CB SER A 25 3.189 -12.303 -4.674 1.00 1.00 C ATOM 390 OG SER A 25 3.198 -13.602 -5.248 1.00 1.00 O ATOM 0 H SER A 25 5.628 -11.967 -4.535 1.00 1.00 H new ATOM 0 HA SER A 25 3.742 -11.606 -6.636 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.664 -12.323 -3.693 1.00 1.00 H new ATOM 0 HB3 SER A 25 2.163 -11.966 -4.524 1.00 1.00 H new ATOM 0 HG SER A 25 2.725 -14.224 -4.657 1.00 1.00 H new ATOM 396 N ILE A 26 3.927 -9.281 -4.311 1.00 1.00 N ATOM 397 CA ILE A 26 3.516 -7.920 -3.983 1.00 1.00 C ATOM 398 C ILE A 26 3.784 -6.979 -5.154 1.00 1.00 C ATOM 399 O ILE A 26 3.107 -5.964 -5.316 1.00 1.00 O ATOM 400 CB ILE A 26 4.276 -7.428 -2.750 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.861 -8.261 -1.527 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.964 -5.949 -2.509 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.650 -7.625 -0.837 1.00 1.00 C ATOM 0 H ILE A 26 4.616 -9.682 -3.675 1.00 1.00 H new ATOM 0 HA ILE A 26 2.446 -7.926 -3.774 1.00 1.00 H new ATOM 0 HB ILE A 26 5.348 -7.541 -2.913 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.619 -9.278 -1.836 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.693 -8.330 -0.826 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.507 -5.601 -1.630 1.00 1.00 H new ATOM 0 HG22 ILE A 26 4.269 -5.366 -3.378 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.893 -5.825 -2.347 1.00 1.00 H new ATOM 0 HD11 ILE A 26 2.367 -8.225 0.028 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.905 -6.617 -0.511 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.815 -7.580 -1.536 1.00 1.00 H new ATOM 415 N MET A 27 4.776 -7.323 -5.969 1.00 1.00 N ATOM 416 CA MET A 27 5.126 -6.500 -7.123 1.00 1.00 C ATOM 417 C MET A 27 4.098 -6.667 -8.237 1.00 1.00 C ATOM 418 O MET A 27 3.486 -5.696 -8.683 1.00 1.00 O ATOM 419 CB MET A 27 6.509 -6.894 -7.643 1.00 1.00 C ATOM 420 CG MET A 27 7.592 -6.220 -6.797 1.00 1.00 C ATOM 421 SD MET A 27 8.134 -4.697 -7.612 1.00 1.00 S ATOM 422 CE MET A 27 9.326 -4.177 -6.354 1.00 1.00 C ATOM 0 H MET A 27 5.348 -8.159 -5.854 1.00 1.00 H new ATOM 0 HA MET A 27 5.137 -5.456 -6.809 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.627 -7.977 -7.606 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.613 -6.598 -8.687 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.205 -5.995 -5.803 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.438 -6.895 -6.665 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.067 -3.180 -5.998 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.303 -4.878 -5.519 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.327 -4.160 -6.786 1.00 1.00 H new ATOM 432 N THR A 28 3.919 -7.903 -8.687 1.00 1.00 N ATOM 433 CA THR A 28 2.969 -8.192 -9.756 1.00 1.00 C ATOM 434 C THR A 28 1.539 -7.890 -9.316 1.00 1.00 C ATOM 435 O THR A 28 0.663 -7.649 -10.147 1.00 1.00 O ATOM 436 CB THR A 28 3.077 -9.664 -10.163 1.00 1.00 C ATOM 437 OG1 THR A 28 4.447 -10.042 -10.200 1.00 1.00 O ATOM 438 CG2 THR A 28 2.454 -9.859 -11.545 1.00 1.00 C ATOM 0 H THR A 28 4.417 -8.719 -8.330 1.00 1.00 H new ATOM 0 HA THR A 28 3.211 -7.555 -10.607 1.00 1.00 H new ATOM 0 HB THR A 28 2.548 -10.283 -9.439 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.519 -10.984 -10.459 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.531 -10.907 -11.834 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.404 -9.567 -11.515 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.982 -9.242 -12.272 1.00 1.00 H new ATOM 446 N ALA A 29 1.305 -7.914 -8.008 1.00 1.00 N ATOM 447 CA ALA A 29 -0.029 -7.652 -7.476 1.00 1.00 C ATOM 448 C ALA A 29 -0.386 -6.172 -7.589 1.00 1.00 C ATOM 449 O ALA A 29 -1.548 -5.820 -7.793 1.00 1.00 O ATOM 450 CB ALA A 29 -0.097 -8.081 -6.009 1.00 1.00 C ATOM 0 H ALA A 29 2.014 -8.110 -7.302 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.746 -8.227 -8.063 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.095 -7.883 -5.618 1.00 1.00 H new ATOM 0 HB2 ALA A 29 0.118 -9.147 -5.931 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.637 -7.519 -5.431 1.00 1.00 H new ATOM 456 N LEU A 30 0.615 -5.311 -7.448 1.00 1.00 N ATOM 457 CA LEU A 30 0.391 -3.870 -7.528 1.00 1.00 C ATOM 458 C LEU A 30 0.830 -3.322 -8.884 1.00 1.00 C ATOM 459 O LEU A 30 0.866 -2.107 -9.090 1.00 1.00 O ATOM 460 CB LEU A 30 1.164 -3.157 -6.415 1.00 1.00 C ATOM 461 CG LEU A 30 0.471 -3.392 -5.070 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.500 -3.296 -3.941 1.00 1.00 C ATOM 463 CD2 LEU A 30 -0.611 -2.330 -4.853 1.00 1.00 C ATOM 0 H LEU A 30 1.584 -5.582 -7.279 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.677 -3.687 -7.408 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.188 -3.527 -6.376 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.219 -2.089 -6.625 1.00 1.00 H new ATOM 0 HG LEU A 30 0.015 -4.382 -5.071 1.00 1.00 H new ATOM 0 HD11 LEU A 30 1.006 -3.463 -2.984 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.273 -4.051 -4.088 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.955 -2.305 -3.946 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.102 -2.501 -3.895 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.155 -1.340 -4.856 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.348 -2.392 -5.654 1.00 1.00 H new ATOM 475 N SER A 31 1.175 -4.219 -9.801 1.00 1.00 N ATOM 476 CA SER A 31 1.624 -3.812 -11.128 1.00 1.00 C ATOM 477 C SER A 31 0.545 -3.022 -11.874 1.00 1.00 C ATOM 478 O SER A 31 0.806 -1.917 -12.348 1.00 1.00 O ATOM 479 CB SER A 31 2.026 -5.038 -11.949 1.00 1.00 C ATOM 480 OG SER A 31 3.432 -5.025 -12.153 1.00 1.00 O ATOM 0 H SER A 31 1.153 -5.228 -9.652 1.00 1.00 H new ATOM 0 HA SER A 31 2.488 -3.161 -10.996 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.730 -5.950 -11.431 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.508 -5.034 -12.908 1.00 1.00 H new ATOM 0 HG SER A 31 3.694 -5.810 -12.677 1.00 1.00 H new ATOM 486 N PRO A 32 -0.648 -3.553 -11.996 1.00 1.00 N ATOM 487 CA PRO A 32 -1.755 -2.859 -12.714 1.00 1.00 C ATOM 488 C PRO A 32 -2.394 -1.763 -11.865 1.00 1.00 C ATOM 489 O PRO A 32 -3.270 -1.037 -12.332 1.00 1.00 O ATOM 490 CB PRO A 32 -2.753 -3.979 -12.997 1.00 1.00 C ATOM 491 CG PRO A 32 -2.547 -4.975 -11.906 1.00 1.00 C ATOM 492 CD PRO A 32 -1.083 -4.863 -11.472 1.00 1.00 C ATOM 0 HA PRO A 32 -1.407 -2.351 -13.614 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.776 -3.603 -12.998 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.576 -4.425 -13.976 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.215 -4.774 -11.068 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.770 -5.983 -12.256 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.985 -4.911 -10.387 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.483 -5.675 -11.882 1.00 1.00 H new ATOM 500 N TYR A 33 -1.950 -1.654 -10.619 1.00 1.00 N ATOM 501 CA TYR A 33 -2.488 -0.647 -9.713 1.00 1.00 C ATOM 502 C TYR A 33 -1.540 0.544 -9.595 1.00 1.00 C ATOM 503 O TYR A 33 -1.973 1.667 -9.339 1.00 1.00 O ATOM 504 CB TYR A 33 -2.722 -1.262 -8.334 1.00 1.00 C ATOM 505 CG TYR A 33 -3.822 -2.291 -8.421 1.00 1.00 C ATOM 506 CD1 TYR A 33 -5.153 -1.907 -8.227 1.00 1.00 C ATOM 507 CD2 TYR A 33 -3.512 -3.629 -8.694 1.00 1.00 C ATOM 508 CE1 TYR A 33 -6.176 -2.859 -8.307 1.00 1.00 C ATOM 509 CE2 TYR A 33 -4.535 -4.583 -8.772 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.866 -4.197 -8.579 1.00 1.00 C ATOM 511 OH TYR A 33 -6.874 -5.136 -8.657 1.00 1.00 O ATOM 0 H TYR A 33 -1.224 -2.246 -10.215 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.436 -0.292 -10.119 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.805 -1.725 -7.970 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -2.992 -0.485 -7.619 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -5.392 -0.875 -8.015 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.484 -3.925 -8.844 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -7.204 -2.562 -8.159 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -4.296 -5.615 -8.981 1.00 1.00 H new ATOM 0 HH TYR A 33 -6.488 -6.015 -8.854 1.00 1.00 H new ATOM 521 N ALA A 34 -0.247 0.294 -9.779 1.00 1.00 N ATOM 522 CA ALA A 34 0.744 1.359 -9.687 1.00 1.00 C ATOM 523 C ALA A 34 2.153 0.801 -9.860 1.00 1.00 C ATOM 524 O ALA A 34 2.331 -0.391 -10.113 1.00 1.00 O ATOM 525 CB ALA A 34 0.636 2.058 -8.331 1.00 1.00 C ATOM 0 H ALA A 34 0.136 -0.628 -9.991 1.00 1.00 H new ATOM 0 HA ALA A 34 0.550 2.077 -10.484 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.380 2.852 -8.271 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.361 2.485 -8.220 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.812 1.335 -7.534 1.00 1.00 H new ATOM 531 N SER A 35 3.145 1.674 -9.719 1.00 1.00 N ATOM 532 CA SER A 35 4.541 1.272 -9.857 1.00 1.00 C ATOM 533 C SER A 35 5.291 1.507 -8.551 1.00 1.00 C ATOM 534 O SER A 35 5.219 2.594 -7.975 1.00 1.00 O ATOM 535 CB SER A 35 5.206 2.069 -10.979 1.00 1.00 C ATOM 536 OG SER A 35 5.140 1.322 -12.187 1.00 1.00 O ATOM 0 H SER A 35 3.009 2.663 -9.510 1.00 1.00 H new ATOM 0 HA SER A 35 4.574 0.210 -10.100 1.00 1.00 H new ATOM 0 HB2 SER A 35 4.706 3.030 -11.104 1.00 1.00 H new ATOM 0 HB3 SER A 35 6.245 2.280 -10.725 1.00 1.00 H new ATOM 0 HG SER A 35 5.564 1.830 -12.910 1.00 1.00 H new ATOM 542 N LEU A 36 6.005 0.484 -8.090 1.00 1.00 N ATOM 543 CA LEU A 36 6.763 0.587 -6.847 1.00 1.00 C ATOM 544 C LEU A 36 8.260 0.590 -7.133 1.00 1.00 C ATOM 545 O LEU A 36 8.682 0.566 -8.290 1.00 1.00 O ATOM 546 CB LEU A 36 6.419 -0.578 -5.913 1.00 1.00 C ATOM 547 CG LEU A 36 5.572 -1.617 -6.656 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.459 -2.881 -5.802 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.169 -1.055 -6.904 1.00 1.00 C ATOM 0 H LEU A 36 6.075 -0.421 -8.555 1.00 1.00 H new ATOM 0 HA LEU A 36 6.493 1.525 -6.361 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.334 -1.041 -5.544 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.875 -0.209 -5.044 1.00 1.00 H new ATOM 0 HG LEU A 36 6.045 -1.853 -7.609 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.857 -3.622 -6.327 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.454 -3.286 -5.618 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.985 -2.637 -4.851 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.569 -1.796 -7.432 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.698 -0.819 -5.950 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.241 -0.149 -7.506 1.00 1.00 H new ATOM 561 N ALA A 37 9.059 0.625 -6.071 1.00 1.00 N ATOM 562 CA ALA A 37 10.510 0.635 -6.221 1.00 1.00 C ATOM 563 C ALA A 37 11.168 -0.147 -5.086 1.00 1.00 C ATOM 564 O ALA A 37 10.861 0.066 -3.913 1.00 1.00 O ATOM 565 CB ALA A 37 11.022 2.080 -6.231 1.00 1.00 C ATOM 0 H ALA A 37 8.730 0.647 -5.106 1.00 1.00 H new ATOM 0 HA ALA A 37 10.769 0.158 -7.166 1.00 1.00 H new ATOM 0 HB1 ALA A 37 12.106 2.081 -6.343 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.570 2.620 -7.063 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.754 2.568 -5.294 1.00 1.00 H new ATOM 571 N VAL A 38 12.065 -1.060 -5.446 1.00 1.00 N ATOM 572 CA VAL A 38 12.757 -1.883 -4.459 1.00 1.00 C ATOM 573 C VAL A 38 13.311 -1.040 -3.310 1.00 1.00 C ATOM 574 O VAL A 38 13.270 -1.456 -2.152 1.00 1.00 O ATOM 575 CB VAL A 38 13.905 -2.637 -5.131 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.648 -3.473 -4.087 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.342 -3.560 -6.215 1.00 1.00 C ATOM 0 H VAL A 38 12.330 -1.249 -6.413 1.00 1.00 H new ATOM 0 HA VAL A 38 12.034 -2.587 -4.047 1.00 1.00 H new ATOM 0 HB VAL A 38 14.594 -1.923 -5.582 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.466 -4.010 -4.566 1.00 1.00 H new ATOM 0 HG12 VAL A 38 15.048 -2.817 -3.314 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.960 -4.188 -3.636 1.00 1.00 H new ATOM 0 HG21 VAL A 38 14.159 -4.098 -6.695 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.653 -4.274 -5.763 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.812 -2.966 -6.960 1.00 1.00 H new ATOM 587 N ASN A 39 13.845 0.133 -3.636 1.00 1.00 N ATOM 588 CA ASN A 39 14.424 1.009 -2.618 1.00 1.00 C ATOM 589 C ASN A 39 13.358 1.860 -1.931 1.00 1.00 C ATOM 590 O ASN A 39 13.681 2.719 -1.109 1.00 1.00 O ATOM 591 CB ASN A 39 15.471 1.923 -3.257 1.00 1.00 C ATOM 592 CG ASN A 39 16.722 1.121 -3.601 1.00 1.00 C ATOM 593 OD1 ASN A 39 17.338 0.525 -2.717 1.00 1.00 O ATOM 594 ND2 ASN A 39 17.130 1.063 -4.838 1.00 1.00 N ATOM 0 H ASN A 39 13.890 0.498 -4.587 1.00 1.00 H new ATOM 0 HA ASN A 39 14.890 0.377 -1.862 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.064 2.382 -4.158 1.00 1.00 H new ATOM 0 HB3 ASN A 39 15.725 2.733 -2.573 1.00 1.00 H new ATOM 0 HD21 ASN A 39 17.962 0.523 -5.076 1.00 1.00 H new ATOM 0 HD22 ASN A 39 16.617 1.558 -5.568 1.00 1.00 H new ATOM 601 N ASN A 40 12.093 1.619 -2.269 1.00 1.00 N ATOM 602 CA ASN A 40 10.989 2.376 -1.674 1.00 1.00 C ATOM 603 C ASN A 40 10.050 1.452 -0.898 1.00 1.00 C ATOM 604 O ASN A 40 9.059 1.909 -0.330 1.00 1.00 O ATOM 605 CB ASN A 40 10.200 3.098 -2.778 1.00 1.00 C ATOM 606 CG ASN A 40 9.934 4.562 -2.428 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.213 5.015 -1.318 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.394 5.333 -3.332 1.00 1.00 N ATOM 0 H ASN A 40 11.806 0.912 -2.946 1.00 1.00 H new ATOM 0 HA ASN A 40 11.408 3.107 -0.982 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.755 3.044 -3.715 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.252 2.586 -2.940 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.203 6.312 -3.119 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.163 4.957 -4.251 1.00 1.00 H new ATOM 615 N ILE A 41 10.363 0.155 -0.879 1.00 1.00 N ATOM 616 CA ILE A 41 9.536 -0.812 -0.170 1.00 1.00 C ATOM 617 C ILE A 41 10.380 -1.627 0.806 1.00 1.00 C ATOM 618 O ILE A 41 11.518 -1.985 0.506 1.00 1.00 O ATOM 619 CB ILE A 41 8.851 -1.745 -1.169 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.886 -2.653 -1.843 1.00 1.00 C ATOM 621 CG2 ILE A 41 8.137 -0.915 -2.237 1.00 1.00 C ATOM 622 CD1 ILE A 41 9.219 -3.424 -2.983 1.00 1.00 C ATOM 0 H ILE A 41 11.178 -0.244 -1.344 1.00 1.00 H new ATOM 0 HA ILE A 41 8.777 -0.270 0.395 1.00 1.00 H new ATOM 0 HB ILE A 41 8.128 -2.362 -0.635 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.713 -2.057 -2.228 1.00 1.00 H new ATOM 0 HG13 ILE A 41 10.305 -3.348 -1.115 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.649 -1.581 -2.949 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.389 -0.279 -1.764 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.863 -0.293 -2.761 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.953 -4.070 -3.464 1.00 1.00 H new ATOM 0 HD12 ILE A 41 8.406 -4.032 -2.585 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.821 -2.720 -3.714 1.00 1.00 H new ATOM 634 N ARG A 42 9.808 -1.913 1.972 1.00 1.00 N ATOM 635 CA ARG A 42 10.510 -2.687 2.989 1.00 1.00 C ATOM 636 C ARG A 42 9.616 -3.799 3.528 1.00 1.00 C ATOM 637 O ARG A 42 8.694 -3.547 4.304 1.00 1.00 O ATOM 638 CB ARG A 42 10.939 -1.773 4.139 1.00 1.00 C ATOM 639 CG ARG A 42 11.915 -2.522 5.048 1.00 1.00 C ATOM 640 CD ARG A 42 12.282 -1.639 6.241 1.00 1.00 C ATOM 641 NE ARG A 42 13.009 -0.458 5.791 1.00 1.00 N ATOM 642 CZ ARG A 42 13.219 0.572 6.605 1.00 1.00 C ATOM 643 NH1 ARG A 42 12.772 0.537 7.830 1.00 1.00 N ATOM 644 NH2 ARG A 42 13.871 1.618 6.178 1.00 1.00 N ATOM 0 H ARG A 42 8.866 -1.622 2.234 1.00 1.00 H new ATOM 0 HA ARG A 42 11.393 -3.134 2.532 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.410 -0.872 3.746 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.066 -1.454 4.709 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.464 -3.452 5.395 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.813 -2.791 4.492 1.00 1.00 H new ATOM 0 HD2 ARG A 42 11.378 -1.338 6.771 1.00 1.00 H new ATOM 0 HD3 ARG A 42 12.892 -2.204 6.946 1.00 1.00 H new ATOM 0 HE ARG A 42 13.363 -0.421 4.835 1.00 1.00 H new ATOM 0 HH11 ARG A 42 12.261 -0.281 8.163 1.00 1.00 H new ATOM 0 HH12 ARG A 42 12.933 1.327 8.454 1.00 1.00 H new ATOM 0 HH21 ARG A 42 14.220 1.646 5.220 1.00 1.00 H new ATOM 0 HH22 ARG A 42 14.032 2.408 6.802 1.00 1.00 H new ATOM 658 N LEU A 43 9.896 -5.028 3.109 1.00 1.00 N ATOM 659 CA LEU A 43 9.113 -6.175 3.557 1.00 1.00 C ATOM 660 C LEU A 43 9.703 -6.750 4.839 1.00 1.00 C ATOM 661 O LEU A 43 10.821 -7.266 4.843 1.00 1.00 O ATOM 662 CB LEU A 43 9.108 -7.257 2.469 1.00 1.00 C ATOM 663 CG LEU A 43 7.677 -7.753 2.212 1.00 1.00 C ATOM 664 CD1 LEU A 43 7.058 -8.244 3.521 1.00 1.00 C ATOM 665 CD2 LEU A 43 6.819 -6.620 1.638 1.00 1.00 C ATOM 0 H LEU A 43 10.653 -5.255 2.465 1.00 1.00 H new ATOM 0 HA LEU A 43 8.092 -5.846 3.751 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.532 -6.857 1.548 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.739 -8.091 2.774 1.00 1.00 H new ATOM 0 HG LEU A 43 7.714 -8.573 1.494 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.043 -8.595 3.334 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.657 -9.062 3.922 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.032 -7.426 4.241 1.00 1.00 H new ATOM 0 HD21 LEU A 43 5.807 -6.984 1.460 1.00 1.00 H new ATOM 0 HD22 LEU A 43 6.788 -5.793 2.347 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.251 -6.276 0.698 1.00 1.00 H new ATOM 677 N ILE A 44 8.943 -6.665 5.922 1.00 1.00 N ATOM 678 CA ILE A 44 9.395 -7.187 7.206 1.00 1.00 C ATOM 679 C ILE A 44 9.669 -8.682 7.092 1.00 1.00 C ATOM 680 O ILE A 44 8.991 -9.386 6.347 1.00 1.00 O ATOM 681 CB ILE A 44 8.333 -6.937 8.277 1.00 1.00 C ATOM 682 CG1 ILE A 44 7.561 -5.657 7.941 1.00 1.00 C ATOM 683 CG2 ILE A 44 9.007 -6.782 9.641 1.00 1.00 C ATOM 684 CD1 ILE A 44 6.878 -5.124 9.202 1.00 1.00 C ATOM 0 H ILE A 44 8.015 -6.242 5.939 1.00 1.00 H new ATOM 0 HA ILE A 44 10.314 -6.675 7.490 1.00 1.00 H new ATOM 0 HB ILE A 44 7.644 -7.781 8.307 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.240 -4.906 7.538 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.817 -5.860 7.171 1.00 1.00 H new ATOM 0 HG21 ILE A 44 8.249 -6.604 10.403 1.00 1.00 H new ATOM 0 HG22 ILE A 44 9.556 -7.692 9.881 1.00 1.00 H new ATOM 0 HG23 ILE A 44 9.697 -5.939 9.612 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.329 -4.213 8.961 1.00 1.00 H new ATOM 0 HD12 ILE A 44 6.186 -5.874 9.586 1.00 1.00 H new ATOM 0 HD13 ILE A 44 7.631 -4.904 9.959 1.00 1.00 H new ATOM 696 N LYS A 45 10.670 -9.159 7.825 1.00 1.00 N ATOM 697 CA LYS A 45 11.019 -10.576 7.788 1.00 1.00 C ATOM 698 C LYS A 45 11.298 -11.092 9.197 1.00 1.00 C ATOM 699 O LYS A 45 12.127 -10.537 9.920 1.00 1.00 O ATOM 700 CB LYS A 45 12.247 -10.793 6.903 1.00 1.00 C ATOM 701 CG LYS A 45 11.923 -11.833 5.826 1.00 1.00 C ATOM 702 CD LYS A 45 13.126 -12.007 4.896 1.00 1.00 C ATOM 703 CE LYS A 45 12.669 -11.886 3.441 1.00 1.00 C ATOM 704 NZ LYS A 45 13.845 -12.031 2.536 1.00 1.00 N ATOM 0 H LYS A 45 11.249 -8.593 8.446 1.00 1.00 H new ATOM 0 HA LYS A 45 10.177 -11.129 7.371 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.544 -9.853 6.438 1.00 1.00 H new ATOM 0 HB3 LYS A 45 13.089 -11.130 7.507 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.671 -12.786 6.291 1.00 1.00 H new ATOM 0 HG3 LYS A 45 11.051 -11.517 5.253 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.881 -11.252 5.115 1.00 1.00 H new ATOM 0 HD3 LYS A 45 13.590 -12.979 5.063 1.00 1.00 H new ATOM 0 HE2 LYS A 45 11.928 -12.653 3.217 1.00 1.00 H new ATOM 0 HE3 LYS A 45 12.189 -10.921 3.279 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 13.534 -11.949 1.547 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.538 -11.284 2.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 14.285 -12.962 2.684 1.00 1.00 H new ATOM 718 N ASP A 46 10.597 -12.154 9.580 1.00 1.00 N ATOM 719 CA ASP A 46 10.772 -12.737 10.906 1.00 1.00 C ATOM 720 C ASP A 46 11.614 -14.005 10.833 1.00 1.00 C ATOM 721 O ASP A 46 11.751 -14.611 9.771 1.00 1.00 O ATOM 722 CB ASP A 46 9.408 -13.069 11.516 1.00 1.00 C ATOM 723 CG ASP A 46 9.558 -13.330 13.010 1.00 1.00 C ATOM 724 OD1 ASP A 46 10.172 -12.512 13.675 1.00 1.00 O ATOM 725 OD2 ASP A 46 9.065 -14.349 13.466 1.00 1.00 O ATOM 0 H ASP A 46 9.907 -12.626 8.996 1.00 1.00 H new ATOM 0 HA ASP A 46 11.287 -12.008 11.532 1.00 1.00 H new ATOM 0 HB2 ASP A 46 8.715 -12.244 11.350 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.984 -13.945 11.026 1.00 1.00 H new ATOM 730 N LYS A 47 12.176 -14.402 11.971 1.00 1.00 N ATOM 731 CA LYS A 47 13.003 -15.602 12.028 1.00 1.00 C ATOM 732 C LYS A 47 12.154 -16.825 12.359 1.00 1.00 C ATOM 733 O LYS A 47 12.663 -17.943 12.434 1.00 1.00 O ATOM 734 CB LYS A 47 14.094 -15.434 13.087 1.00 1.00 C ATOM 735 CG LYS A 47 15.433 -15.131 12.409 1.00 1.00 C ATOM 736 CD LYS A 47 15.318 -13.837 11.599 1.00 1.00 C ATOM 737 CE LYS A 47 16.415 -12.863 12.035 1.00 1.00 C ATOM 738 NZ LYS A 47 17.750 -13.468 11.769 1.00 1.00 N ATOM 0 H LYS A 47 12.075 -13.914 12.861 1.00 1.00 H new ATOM 0 HA LYS A 47 13.464 -15.749 11.051 1.00 1.00 H new ATOM 0 HB2 LYS A 47 13.830 -14.626 13.769 1.00 1.00 H new ATOM 0 HB3 LYS A 47 14.176 -16.342 13.685 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.218 -15.034 13.159 1.00 1.00 H new ATOM 0 HG3 LYS A 47 15.716 -15.957 11.756 1.00 1.00 H new ATOM 0 HD2 LYS A 47 15.410 -14.052 10.534 1.00 1.00 H new ATOM 0 HD3 LYS A 47 14.337 -13.387 11.749 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.316 -11.922 11.495 1.00 1.00 H new ATOM 0 HE3 LYS A 47 16.312 -12.634 13.096 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 18.439 -12.715 11.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.059 -14.008 12.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 17.686 -14.105 10.949 1.00 1.00 H new ATOM 752 N GLN A 48 10.858 -16.604 12.563 1.00 1.00 N ATOM 753 CA GLN A 48 9.951 -17.699 12.892 1.00 1.00 C ATOM 754 C GLN A 48 9.438 -18.374 11.624 1.00 1.00 C ATOM 755 O GLN A 48 9.620 -19.578 11.436 1.00 1.00 O ATOM 756 CB GLN A 48 8.768 -17.171 13.703 1.00 1.00 C ATOM 757 CG GLN A 48 8.038 -18.344 14.362 1.00 1.00 C ATOM 758 CD GLN A 48 6.614 -17.937 14.722 1.00 1.00 C ATOM 759 OE1 GLN A 48 5.659 -18.617 14.345 1.00 1.00 O ATOM 760 NE2 GLN A 48 6.410 -16.860 15.431 1.00 1.00 N ATOM 0 H GLN A 48 10.416 -15.686 12.507 1.00 1.00 H new ATOM 0 HA GLN A 48 10.500 -18.432 13.483 1.00 1.00 H new ATOM 0 HB2 GLN A 48 9.117 -16.473 14.463 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.085 -16.621 13.055 1.00 1.00 H new ATOM 0 HG2 GLN A 48 8.021 -19.198 13.685 1.00 1.00 H new ATOM 0 HG3 GLN A 48 8.573 -18.658 15.258 1.00 1.00 H new ATOM 0 HE21 GLN A 48 7.201 -16.297 15.743 1.00 1.00 H new ATOM 0 HE22 GLN A 48 5.459 -16.581 15.673 1.00 1.00 H new ATOM 769 N THR A 49 8.802 -17.591 10.756 1.00 1.00 N ATOM 770 CA THR A 49 8.267 -18.122 9.506 1.00 1.00 C ATOM 771 C THR A 49 9.106 -17.646 8.323 1.00 1.00 C ATOM 772 O THR A 49 8.653 -17.658 7.180 1.00 1.00 O ATOM 773 CB THR A 49 6.814 -17.672 9.324 1.00 1.00 C ATOM 774 OG1 THR A 49 6.418 -16.893 10.444 1.00 1.00 O ATOM 775 CG2 THR A 49 5.911 -18.900 9.208 1.00 1.00 C ATOM 0 H THR A 49 8.645 -16.593 10.894 1.00 1.00 H new ATOM 0 HA THR A 49 8.303 -19.211 9.548 1.00 1.00 H new ATOM 0 HB THR A 49 6.728 -17.073 8.417 1.00 1.00 H new ATOM 0 HG1 THR A 49 5.489 -16.603 10.329 1.00 1.00 H new ATOM 0 HG21 THR A 49 4.877 -18.580 9.079 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.217 -19.497 8.349 1.00 1.00 H new ATOM 0 HG23 THR A 49 5.994 -19.500 10.114 1.00 1.00 H new ATOM 783 N GLN A 50 10.334 -17.226 8.613 1.00 1.00 N ATOM 784 CA GLN A 50 11.236 -16.746 7.571 1.00 1.00 C ATOM 785 C GLN A 50 10.482 -15.863 6.584 1.00 1.00 C ATOM 786 O GLN A 50 10.832 -15.792 5.406 1.00 1.00 O ATOM 787 CB GLN A 50 11.855 -17.931 6.828 1.00 1.00 C ATOM 788 CG GLN A 50 12.884 -18.618 7.729 1.00 1.00 C ATOM 789 CD GLN A 50 12.197 -19.191 8.963 1.00 1.00 C ATOM 790 OE1 GLN A 50 12.407 -18.643 10.129 1.00 1.00 O flip ATOM 791 NE2 GLN A 50 11.448 -20.163 8.863 1.00 1.00 N flip ATOM 0 H GLN A 50 10.726 -17.208 9.555 1.00 1.00 H new ATOM 0 HA GLN A 50 12.027 -16.160 8.040 1.00 1.00 H new ATOM 0 HB2 GLN A 50 11.078 -18.639 6.540 1.00 1.00 H new ATOM 0 HB3 GLN A 50 12.331 -17.589 5.909 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.386 -19.414 7.180 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.651 -17.904 8.028 1.00 1.00 H new ATOM 0 HE21 GLN A 50 11.285 -20.590 7.951 1.00 1.00 H new ATOM 0 HE22 GLN A 50 10.990 -20.542 9.692 1.00 1.00 H new ATOM 800 N GLN A 51 9.445 -15.198 7.076 1.00 1.00 N ATOM 801 CA GLN A 51 8.637 -14.321 6.235 1.00 1.00 C ATOM 802 C GLN A 51 7.901 -13.291 7.088 1.00 1.00 C ATOM 803 O GLN A 51 7.809 -13.432 8.306 1.00 1.00 O ATOM 804 CB GLN A 51 7.611 -15.143 5.443 1.00 1.00 C ATOM 805 CG GLN A 51 8.321 -16.011 4.397 1.00 1.00 C ATOM 806 CD GLN A 51 7.313 -16.530 3.379 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.621 -15.745 2.730 1.00 1.00 O ATOM 808 NE2 GLN A 51 7.188 -17.816 3.197 1.00 1.00 N ATOM 0 H GLN A 51 9.143 -15.248 8.049 1.00 1.00 H new ATOM 0 HA GLN A 51 9.304 -13.805 5.544 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.038 -15.775 6.122 1.00 1.00 H new ATOM 0 HB3 GLN A 51 6.901 -14.477 4.952 1.00 1.00 H new ATOM 0 HG2 GLN A 51 9.093 -15.429 3.893 1.00 1.00 H new ATOM 0 HG3 GLN A 51 8.821 -16.848 4.885 1.00 1.00 H new ATOM 0 HE21 GLN A 51 7.762 -18.465 3.735 1.00 1.00 H new ATOM 0 HE22 GLN A 51 6.517 -18.172 2.517 1.00 1.00 H new ATOM 817 N ASN A 52 7.380 -12.260 6.432 1.00 1.00 N ATOM 818 CA ASN A 52 6.647 -11.202 7.122 1.00 1.00 C ATOM 819 C ASN A 52 5.806 -11.760 8.265 1.00 1.00 C ATOM 820 O ASN A 52 5.223 -12.839 8.156 1.00 1.00 O ATOM 821 CB ASN A 52 5.737 -10.478 6.129 1.00 1.00 C ATOM 822 CG ASN A 52 4.321 -11.036 6.220 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.369 -10.286 6.433 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.124 -12.318 6.069 1.00 1.00 N ATOM 0 H ASN A 52 7.451 -12.133 5.422 1.00 1.00 H new ATOM 0 HA ASN A 52 7.374 -10.506 7.542 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.730 -9.409 6.341 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.120 -10.599 5.116 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.180 -12.699 6.128 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.914 -12.938 5.892 1.00 1.00 H new ATOM 831 N ARG A 53 5.749 -11.010 9.362 1.00 1.00 N ATOM 832 CA ARG A 53 4.975 -11.427 10.524 1.00 1.00 C ATOM 833 C ARG A 53 3.541 -10.912 10.413 1.00 1.00 C ATOM 834 O ARG A 53 2.904 -10.599 11.419 1.00 1.00 O ATOM 835 CB ARG A 53 5.620 -10.876 11.801 1.00 1.00 C ATOM 836 CG ARG A 53 5.582 -11.927 12.915 1.00 1.00 C ATOM 837 CD ARG A 53 6.373 -11.420 14.125 1.00 1.00 C ATOM 838 NE ARG A 53 5.849 -10.134 14.578 1.00 1.00 N ATOM 839 CZ ARG A 53 6.352 -8.982 14.147 1.00 1.00 C ATOM 840 NH1 ARG A 53 7.318 -8.980 13.268 1.00 1.00 N ATOM 841 NH2 ARG A 53 5.882 -7.853 14.602 1.00 1.00 N ATOM 0 H ARG A 53 6.227 -10.115 9.469 1.00 1.00 H new ATOM 0 HA ARG A 53 4.960 -12.516 10.565 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.652 -10.588 11.600 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.095 -9.977 12.123 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.550 -12.131 13.201 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.005 -12.866 12.558 1.00 1.00 H new ATOM 0 HD2 ARG A 53 6.316 -12.148 14.935 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.426 -11.318 13.862 1.00 1.00 H new ATOM 0 HE ARG A 53 5.076 -10.120 15.243 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.686 -9.862 12.913 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.704 -8.096 12.937 1.00 1.00 H new ATOM 0 HH21 ARG A 53 5.128 -7.854 15.289 1.00 1.00 H new ATOM 0 HH22 ARG A 53 6.269 -6.969 14.271 1.00 1.00 H new ATOM 855 N GLY A 54 3.041 -10.828 9.183 1.00 1.00 N ATOM 856 CA GLY A 54 1.683 -10.351 8.950 1.00 1.00 C ATOM 857 C GLY A 54 1.659 -8.840 8.734 1.00 1.00 C ATOM 858 O GLY A 54 0.686 -8.171 9.083 1.00 1.00 O ATOM 0 H GLY A 54 3.553 -11.082 8.338 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.263 -10.853 8.078 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.053 -10.610 9.801 1.00 1.00 H new ATOM 862 N PHE A 55 2.733 -8.306 8.155 1.00 1.00 N ATOM 863 CA PHE A 55 2.816 -6.868 7.903 1.00 1.00 C ATOM 864 C PHE A 55 3.785 -6.573 6.759 1.00 1.00 C ATOM 865 O PHE A 55 4.776 -7.277 6.573 1.00 1.00 O ATOM 866 CB PHE A 55 3.278 -6.145 9.169 1.00 1.00 C ATOM 867 CG PHE A 55 2.356 -6.490 10.312 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.107 -5.866 10.416 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.748 -7.434 11.270 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.250 -6.185 11.478 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.892 -7.754 12.329 1.00 1.00 C ATOM 872 CZ PHE A 55 0.644 -7.130 12.433 1.00 1.00 C ATOM 0 H PHE A 55 3.549 -8.839 7.855 1.00 1.00 H new ATOM 0 HA PHE A 55 1.826 -6.510 7.620 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.300 -6.434 9.413 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.282 -5.068 9.004 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.804 -5.139 9.678 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.712 -7.915 11.191 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.713 -5.703 11.560 1.00 1.00 H new ATOM 0 HE2 PHE A 55 2.194 -8.483 13.066 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.016 -7.378 13.251 1.00 1.00 H new ATOM 882 N ALA A 56 3.485 -5.524 5.995 1.00 1.00 N ATOM 883 CA ALA A 56 4.330 -5.138 4.867 1.00 1.00 C ATOM 884 C ALA A 56 4.331 -3.621 4.695 1.00 1.00 C ATOM 885 O ALA A 56 3.272 -2.993 4.660 1.00 1.00 O ATOM 886 CB ALA A 56 3.809 -5.793 3.586 1.00 1.00 C ATOM 0 H ALA A 56 2.668 -4.929 6.135 1.00 1.00 H new ATOM 0 HA ALA A 56 5.348 -5.472 5.064 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.441 -5.503 2.746 1.00 1.00 H new ATOM 0 HB2 ALA A 56 3.828 -6.877 3.698 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.786 -5.466 3.400 1.00 1.00 H new ATOM 892 N PHE A 57 5.520 -3.037 4.588 1.00 1.00 N ATOM 893 CA PHE A 57 5.641 -1.592 4.420 1.00 1.00 C ATOM 894 C PHE A 57 5.927 -1.244 2.962 1.00 1.00 C ATOM 895 O PHE A 57 6.759 -1.881 2.315 1.00 1.00 O ATOM 896 CB PHE A 57 6.761 -1.051 5.310 1.00 1.00 C ATOM 897 CG PHE A 57 6.168 -0.516 6.592 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.570 0.750 6.610 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.213 -1.285 7.759 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.015 1.245 7.796 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.659 -0.791 8.946 1.00 1.00 C ATOM 902 CZ PHE A 57 5.060 0.475 8.965 1.00 1.00 C ATOM 0 H PHE A 57 6.408 -3.537 4.614 1.00 1.00 H new ATOM 0 HA PHE A 57 4.697 -1.132 4.712 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.479 -1.841 5.530 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.304 -0.262 4.790 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.537 1.345 5.709 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.676 -2.261 7.745 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.552 2.221 7.810 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.693 -1.386 9.847 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.633 0.857 9.881 1.00 1.00 H new ATOM 912 N VAL A 58 5.229 -0.236 2.449 1.00 1.00 N ATOM 913 CA VAL A 58 5.412 0.182 1.062 1.00 1.00 C ATOM 914 C VAL A 58 5.315 1.699 0.932 1.00 1.00 C ATOM 915 O VAL A 58 4.455 2.327 1.552 1.00 1.00 O ATOM 916 CB VAL A 58 4.343 -0.469 0.184 1.00 1.00 C ATOM 917 CG1 VAL A 58 3.017 0.273 0.363 1.00 1.00 C ATOM 918 CG2 VAL A 58 4.770 -0.397 -1.283 1.00 1.00 C ATOM 0 H VAL A 58 4.536 0.304 2.968 1.00 1.00 H new ATOM 0 HA VAL A 58 6.404 -0.133 0.738 1.00 1.00 H new ATOM 0 HB VAL A 58 4.221 -1.512 0.476 1.00 1.00 H new ATOM 0 HG11 VAL A 58 2.254 -0.190 -0.262 1.00 1.00 H new ATOM 0 HG12 VAL A 58 2.710 0.222 1.408 1.00 1.00 H new ATOM 0 HG13 VAL A 58 3.141 1.316 0.071 1.00 1.00 H new ATOM 0 HG21 VAL A 58 4.007 -0.862 -1.907 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.893 0.646 -1.575 1.00 1.00 H new ATOM 0 HG23 VAL A 58 5.715 -0.924 -1.413 1.00 1.00 H new ATOM 928 N GLN A 59 6.193 2.279 0.115 1.00 1.00 N ATOM 929 CA GLN A 59 6.192 3.723 -0.101 1.00 1.00 C ATOM 930 C GLN A 59 5.992 4.029 -1.578 1.00 1.00 C ATOM 931 O GLN A 59 6.347 3.224 -2.441 1.00 1.00 O ATOM 932 CB GLN A 59 7.512 4.327 0.377 1.00 1.00 C ATOM 933 CG GLN A 59 7.353 5.839 0.547 1.00 1.00 C ATOM 934 CD GLN A 59 8.703 6.474 0.865 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.427 6.964 -0.105 1.00 1.00 O flip ATOM 936 NE2 GLN A 59 9.106 6.531 2.027 1.00 1.00 N flip ATOM 0 H GLN A 59 6.910 1.773 -0.405 1.00 1.00 H new ATOM 0 HA GLN A 59 5.373 4.162 0.469 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.810 3.874 1.323 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.303 4.113 -0.342 1.00 1.00 H new ATOM 0 HG2 GLN A 59 6.943 6.274 -0.364 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.645 6.051 1.348 1.00 1.00 H new ATOM 0 HE21 GLN A 59 8.539 6.148 2.783 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.007 6.962 2.234 1.00 1.00 H new ATOM 945 N LEU A 60 5.419 5.194 -1.864 1.00 1.00 N ATOM 946 CA LEU A 60 5.173 5.596 -3.247 1.00 1.00 C ATOM 947 C LEU A 60 6.121 6.727 -3.642 1.00 1.00 C ATOM 948 O LEU A 60 6.752 7.346 -2.787 1.00 1.00 O ATOM 949 CB LEU A 60 3.717 6.066 -3.414 1.00 1.00 C ATOM 950 CG LEU A 60 2.780 4.888 -3.738 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.146 4.271 -5.090 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.877 3.813 -2.652 1.00 1.00 C ATOM 0 H LEU A 60 5.118 5.872 -1.164 1.00 1.00 H new ATOM 0 HA LEU A 60 5.348 4.736 -3.894 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.384 6.557 -2.499 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.661 6.807 -4.211 1.00 1.00 H new ATOM 0 HG LEU A 60 1.760 5.269 -3.779 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.474 3.440 -5.304 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.051 5.025 -5.872 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.173 3.908 -5.058 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.208 2.988 -2.896 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.902 3.445 -2.594 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.590 4.240 -1.691 1.00 1.00 H new ATOM 964 N SER A 61 6.221 6.984 -4.943 1.00 1.00 N ATOM 965 CA SER A 61 7.104 8.037 -5.440 1.00 1.00 C ATOM 966 C SER A 61 6.714 9.395 -4.866 1.00 1.00 C ATOM 967 O SER A 61 7.576 10.218 -4.556 1.00 1.00 O ATOM 968 CB SER A 61 7.043 8.092 -6.966 1.00 1.00 C ATOM 969 OG SER A 61 5.731 7.753 -7.397 1.00 1.00 O ATOM 0 H SER A 61 5.707 6.483 -5.668 1.00 1.00 H new ATOM 0 HA SER A 61 8.120 7.805 -5.121 1.00 1.00 H new ATOM 0 HB2 SER A 61 7.307 9.090 -7.316 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.769 7.402 -7.395 1.00 1.00 H new ATOM 0 HG SER A 61 5.689 7.789 -8.375 1.00 1.00 H new ATOM 975 N SER A 62 5.413 9.621 -4.730 1.00 1.00 N ATOM 976 CA SER A 62 4.907 10.883 -4.196 1.00 1.00 C ATOM 977 C SER A 62 3.994 10.630 -3.001 1.00 1.00 C ATOM 978 O SER A 62 3.802 9.488 -2.584 1.00 1.00 O ATOM 979 CB SER A 62 4.137 11.636 -5.280 1.00 1.00 C ATOM 980 OG SER A 62 4.860 11.569 -6.501 1.00 1.00 O ATOM 0 H SER A 62 4.688 8.949 -4.981 1.00 1.00 H new ATOM 0 HA SER A 62 5.755 11.485 -3.869 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.146 11.201 -5.407 1.00 1.00 H new ATOM 0 HB3 SER A 62 3.994 12.676 -4.985 1.00 1.00 H new ATOM 0 HG SER A 62 4.368 12.050 -7.199 1.00 1.00 H new ATOM 986 N ALA A 63 3.436 11.705 -2.453 1.00 1.00 N ATOM 987 CA ALA A 63 2.547 11.589 -1.302 1.00 1.00 C ATOM 988 C ALA A 63 1.129 11.240 -1.746 1.00 1.00 C ATOM 989 O ALA A 63 0.509 10.324 -1.207 1.00 1.00 O ATOM 990 CB ALA A 63 2.531 12.903 -0.523 1.00 1.00 C ATOM 0 H ALA A 63 3.582 12.659 -2.784 1.00 1.00 H new ATOM 0 HA ALA A 63 2.918 10.789 -0.661 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.865 12.809 0.335 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.539 13.133 -0.177 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.178 13.706 -1.170 1.00 1.00 H new ATOM 996 N MET A 64 0.621 11.976 -2.728 1.00 1.00 N ATOM 997 CA MET A 64 -0.727 11.736 -3.231 1.00 1.00 C ATOM 998 C MET A 64 -0.862 10.307 -3.747 1.00 1.00 C ATOM 999 O MET A 64 -1.869 9.643 -3.508 1.00 1.00 O ATOM 1000 CB MET A 64 -1.048 12.720 -4.355 1.00 1.00 C ATOM 1001 CG MET A 64 -2.340 12.293 -5.056 1.00 1.00 C ATOM 1002 SD MET A 64 -3.136 13.744 -5.789 1.00 1.00 S ATOM 1003 CE MET A 64 -4.505 12.873 -6.590 1.00 1.00 C ATOM 0 H MET A 64 1.118 12.738 -3.189 1.00 1.00 H new ATOM 0 HA MET A 64 -1.431 11.880 -2.411 1.00 1.00 H new ATOM 0 HB2 MET A 64 -1.157 13.727 -3.951 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.227 12.751 -5.071 1.00 1.00 H new ATOM 0 HG2 MET A 64 -2.121 11.556 -5.829 1.00 1.00 H new ATOM 0 HG3 MET A 64 -3.013 11.817 -4.343 1.00 1.00 H new ATOM 0 HE1 MET A 64 -5.137 13.591 -7.113 1.00 1.00 H new ATOM 0 HE2 MET A 64 -4.109 12.151 -7.304 1.00 1.00 H new ATOM 0 HE3 MET A 64 -5.095 12.352 -5.836 1.00 1.00 H new ATOM 1013 N ASP A 65 0.160 9.842 -4.459 1.00 1.00 N ATOM 1014 CA ASP A 65 0.144 8.491 -5.007 1.00 1.00 C ATOM 1015 C ASP A 65 -0.237 7.479 -3.931 1.00 1.00 C ATOM 1016 O ASP A 65 -0.913 6.488 -4.208 1.00 1.00 O ATOM 1017 CB ASP A 65 1.521 8.140 -5.574 1.00 1.00 C ATOM 1018 CG ASP A 65 1.583 8.502 -7.053 1.00 1.00 C ATOM 1019 OD1 ASP A 65 0.959 9.481 -7.430 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.250 7.795 -7.789 1.00 1.00 O ATOM 0 H ASP A 65 1.003 10.376 -4.669 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.598 8.453 -5.804 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.296 8.677 -5.027 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.717 7.076 -5.443 1.00 1.00 H new ATOM 1025 N ALA A 66 0.199 7.736 -2.702 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.105 6.838 -1.593 1.00 1.00 C ATOM 1027 C ALA A 66 -1.608 6.785 -1.346 1.00 1.00 C ATOM 1028 O ALA A 66 -2.198 5.708 -1.274 1.00 1.00 O ATOM 1029 CB ALA A 66 0.607 7.312 -0.324 1.00 1.00 C ATOM 0 H ALA A 66 0.759 8.551 -2.450 1.00 1.00 H new ATOM 0 HA ALA A 66 0.246 5.839 -1.852 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.374 6.635 0.498 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.684 7.321 -0.493 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.271 8.318 -0.072 1.00 1.00 H new ATOM 1035 N SER A 67 -2.224 7.956 -1.216 1.00 1.00 N ATOM 1036 CA SER A 67 -3.660 8.028 -0.979 1.00 1.00 C ATOM 1037 C SER A 67 -4.424 7.490 -2.184 1.00 1.00 C ATOM 1038 O SER A 67 -5.450 6.826 -2.036 1.00 1.00 O ATOM 1039 CB SER A 67 -4.075 9.475 -0.713 1.00 1.00 C ATOM 1040 OG SER A 67 -3.292 10.344 -1.521 1.00 1.00 O ATOM 0 H SER A 67 -1.755 8.860 -1.270 1.00 1.00 H new ATOM 0 HA SER A 67 -3.898 7.419 -0.107 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.134 9.609 -0.935 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.937 9.717 0.341 1.00 1.00 H new ATOM 0 HG SER A 67 -3.143 9.931 -2.397 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.916 7.785 -3.377 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.553 7.331 -4.602 1.00 1.00 C ATOM 1048 C GLN A 68 -4.612 5.807 -4.649 1.00 1.00 C ATOM 1049 O GLN A 68 -5.680 5.225 -4.833 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.769 7.849 -5.810 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.685 8.691 -6.699 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.977 9.030 -8.007 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -4.621 9.150 -9.048 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -2.682 9.196 -8.013 1.00 1.00 N ATOM 0 H GLN A 68 -3.068 8.334 -3.518 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.571 7.719 -4.627 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.921 8.447 -5.476 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.364 7.012 -6.379 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.606 8.146 -6.905 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.966 9.607 -6.180 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -2.151 9.096 -7.148 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.201 9.426 -8.883 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.458 5.169 -4.482 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.395 3.710 -4.509 1.00 1.00 C ATOM 1065 C LEU A 69 -4.291 3.121 -3.425 1.00 1.00 C ATOM 1066 O LEU A 69 -4.729 1.974 -3.522 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.951 3.240 -4.295 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.648 2.049 -5.210 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.193 1.617 -5.018 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.573 0.881 -4.859 1.00 1.00 C ATOM 0 H LEU A 69 -2.562 5.632 -4.328 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.743 3.367 -5.483 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.259 4.056 -4.505 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.803 2.956 -3.253 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.810 2.341 -6.247 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.024 0.770 -5.668 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.469 2.446 -5.269 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.034 1.327 -3.979 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.355 0.036 -5.511 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.413 0.589 -3.821 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.611 1.185 -4.994 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.563 3.912 -2.396 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.413 3.457 -1.300 1.00 1.00 C ATOM 1084 C LEU A 70 -6.884 3.597 -1.679 1.00 1.00 C ATOM 1085 O LEU A 70 -7.705 2.749 -1.332 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.121 4.275 -0.034 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.839 3.345 1.156 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.334 4.171 2.337 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.122 2.619 1.568 1.00 1.00 C ATOM 0 H LEU A 70 -4.212 4.864 -2.296 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.198 2.407 -1.104 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.264 4.926 -0.205 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.970 4.919 0.194 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.086 2.613 0.864 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.133 3.513 3.182 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.417 4.688 2.054 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.091 4.903 2.619 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.913 1.962 2.412 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.877 3.350 1.856 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.490 2.027 0.730 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.212 4.664 -2.398 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.587 4.890 -2.820 1.00 1.00 C ATOM 1103 C GLN A 71 -8.893 4.092 -4.085 1.00 1.00 C ATOM 1104 O GLN A 71 -10.038 3.708 -4.329 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.811 6.381 -3.082 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.190 6.588 -3.707 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.824 7.864 -3.164 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.977 7.849 -2.731 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.136 8.972 -3.158 1.00 1.00 N ATOM 0 H GLN A 71 -6.550 5.380 -2.698 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.256 4.558 -2.026 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.735 6.940 -2.149 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.037 6.764 -3.747 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.101 6.650 -4.792 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.829 5.733 -3.488 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.181 8.982 -3.517 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.553 9.829 -2.794 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.862 3.846 -4.887 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.028 3.094 -6.126 1.00 1.00 C ATOM 1120 C ILE A 72 -8.269 1.615 -5.835 1.00 1.00 C ATOM 1121 O ILE A 72 -9.111 0.978 -6.467 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.780 3.253 -6.999 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.872 4.569 -7.778 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.687 2.086 -7.984 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.510 4.893 -8.395 1.00 1.00 C ATOM 0 H ILE A 72 -6.907 4.154 -4.703 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.896 3.488 -6.655 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.893 3.261 -6.365 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.627 4.489 -8.560 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.184 5.376 -7.115 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.798 2.203 -8.603 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.624 1.148 -7.432 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.573 2.075 -8.619 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.575 5.829 -8.949 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.766 4.991 -7.604 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.217 4.090 -9.072 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.521 1.070 -4.878 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.664 -0.338 -4.521 1.00 1.00 C ATOM 1139 C LEU A 73 -8.910 -0.558 -3.666 1.00 1.00 C ATOM 1140 O LEU A 73 -9.545 -1.610 -3.743 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.427 -0.813 -3.754 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.422 -2.343 -3.685 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.664 -2.907 -4.888 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.734 -2.793 -2.395 1.00 1.00 C ATOM 0 H LEU A 73 -6.817 1.576 -4.341 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.765 -0.913 -5.441 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.522 -0.458 -4.247 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.427 -0.393 -2.748 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.449 -2.709 -3.698 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.661 -3.996 -4.838 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.153 -2.587 -5.808 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.638 -2.540 -4.876 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.730 -3.882 -2.345 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.708 -2.426 -2.383 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.273 -2.393 -1.536 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.254 0.434 -2.855 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.429 0.326 -1.994 1.00 1.00 C ATOM 1158 C GLN A 74 -11.690 0.710 -2.760 1.00 1.00 C ATOM 1159 O GLN A 74 -12.806 0.505 -2.282 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.286 1.227 -0.765 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.143 0.718 0.119 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.927 1.677 1.285 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.192 2.872 1.162 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.474 1.219 2.419 1.00 1.00 N ATOM 0 H GLN A 74 -8.744 1.314 -2.774 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.509 -0.711 -1.667 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.089 2.253 -1.075 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.218 1.238 -0.200 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.377 -0.278 0.494 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.228 0.631 -0.467 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.255 0.228 2.518 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.339 1.852 3.207 1.00 1.00 H new ATOM 1173 N SER A 75 -11.508 1.265 -3.955 1.00 1.00 N ATOM 1174 CA SER A 75 -12.641 1.665 -4.778 1.00 1.00 C ATOM 1175 C SER A 75 -13.390 0.433 -5.265 1.00 1.00 C ATOM 1176 O SER A 75 -14.601 0.469 -5.474 1.00 1.00 O ATOM 1177 CB SER A 75 -12.157 2.481 -5.977 1.00 1.00 C ATOM 1178 OG SER A 75 -13.127 2.412 -7.014 1.00 1.00 O ATOM 0 H SER A 75 -10.594 1.446 -4.371 1.00 1.00 H new ATOM 0 HA SER A 75 -13.312 2.279 -4.177 1.00 1.00 H new ATOM 0 HB2 SER A 75 -11.994 3.518 -5.684 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.201 2.096 -6.331 1.00 1.00 H new ATOM 0 HG SER A 75 -12.821 2.935 -7.784 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.655 -0.661 -5.432 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.255 -1.911 -5.883 1.00 1.00 C ATOM 1186 C LEU A 76 -14.169 -2.472 -4.798 1.00 1.00 C ATOM 1187 O LEU A 76 -13.839 -2.428 -3.613 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.164 -2.936 -6.219 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.253 -2.388 -7.325 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.870 -3.040 -7.224 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.857 -2.706 -8.697 1.00 1.00 C ATOM 0 H LEU A 76 -11.650 -0.708 -5.263 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.841 -1.711 -6.780 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.576 -3.159 -5.329 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.620 -3.872 -6.542 1.00 1.00 H new ATOM 0 HG LEU A 76 -11.160 -1.308 -7.207 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.225 -2.649 -8.011 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.432 -2.816 -6.251 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -9.968 -4.120 -7.338 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.207 -2.315 -9.480 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -11.953 -3.786 -8.811 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.841 -2.244 -8.778 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.324 -2.990 -5.207 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.276 -3.545 -4.249 1.00 1.00 C ATOM 1205 C HIS A 77 -15.629 -4.634 -3.391 1.00 1.00 C ATOM 1206 O HIS A 77 -15.630 -4.534 -2.166 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.509 -4.105 -4.970 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.693 -3.224 -4.685 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.460 -2.664 -5.695 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.255 -2.797 -3.508 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.432 -1.938 -5.112 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.353 -1.986 -3.779 1.00 1.00 N ATOM 0 H HIS A 77 -15.621 -3.037 -6.182 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.591 -2.735 -3.592 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.326 -4.153 -6.044 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.709 -5.123 -4.635 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -18.899 -3.052 -2.521 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -21.184 -1.384 -5.655 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -20.966 -1.527 -3.105 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.076 -5.665 -3.994 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.420 -6.770 -3.234 1.00 1.00 C ATOM 1222 C PRO A 78 -13.031 -6.365 -2.712 1.00 1.00 C ATOM 1223 O PRO A 78 -12.123 -6.136 -3.508 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.290 -7.883 -4.274 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.200 -7.184 -5.587 1.00 1.00 C ATOM 1226 CD PRO A 78 -15.012 -5.896 -5.452 1.00 1.00 C ATOM 0 HA PRO A 78 -14.990 -7.056 -2.350 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.404 -8.492 -4.091 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.149 -8.553 -4.243 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.163 -6.964 -5.838 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.596 -7.810 -6.387 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.530 -5.065 -5.967 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -16.007 -6.005 -5.883 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.836 -6.272 -1.409 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.510 -5.888 -0.838 1.00 1.00 C ATOM 1236 C PRO A 79 -10.369 -6.691 -1.460 1.00 1.00 C ATOM 1237 O PRO A 79 -10.588 -7.502 -2.359 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.645 -6.204 0.652 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.105 -6.143 0.944 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.832 -6.512 -0.348 1.00 1.00 C ATOM 0 HA PRO A 79 -11.268 -4.843 -1.033 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.240 -7.190 0.882 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.094 -5.484 1.257 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.368 -6.833 1.746 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.391 -5.145 1.276 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.159 -7.552 -0.337 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.722 -5.900 -0.492 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.152 -6.466 -0.972 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.998 -7.185 -1.494 1.00 1.00 C ATOM 1250 C LEU A 80 -7.941 -8.584 -0.892 1.00 1.00 C ATOM 1251 O LEU A 80 -7.894 -8.740 0.328 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.712 -6.419 -1.161 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.501 -7.110 -1.802 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.623 -7.080 -3.329 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.223 -6.376 -1.386 1.00 1.00 C ATOM 0 H LEU A 80 -8.943 -5.801 -0.227 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.091 -7.269 -2.577 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.787 -5.393 -1.522 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.580 -6.368 -0.080 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.464 -8.146 -1.466 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.758 -7.573 -3.773 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.532 -7.600 -3.632 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.666 -6.046 -3.670 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.360 -6.863 -1.839 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.273 -5.340 -1.722 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.126 -6.401 -0.301 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.956 -9.598 -1.755 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.915 -10.984 -1.297 1.00 1.00 C ATOM 1269 C LYS A 81 -6.740 -11.722 -1.927 1.00 1.00 C ATOM 1270 O LYS A 81 -6.639 -11.826 -3.149 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.228 -11.693 -1.655 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.279 -13.085 -0.998 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.421 -14.103 -1.771 1.00 1.00 C ATOM 1274 CE LYS A 81 -9.213 -15.400 -1.938 1.00 1.00 C ATOM 1275 NZ LYS A 81 -10.408 -15.146 -2.791 1.00 1.00 N ATOM 0 H LYS A 81 -7.996 -9.487 -2.768 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.788 -10.987 -0.214 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -10.075 -11.094 -1.321 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.313 -11.791 -2.737 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -8.926 -13.016 0.031 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.311 -13.433 -0.958 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -8.148 -13.701 -2.747 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.492 -14.296 -1.235 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -8.585 -16.166 -2.392 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.522 -15.778 -0.963 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.599 -15.982 -3.379 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.231 -14.952 -2.186 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -10.229 -14.326 -3.404 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.861 -12.236 -1.076 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.691 -12.976 -1.534 1.00 1.00 C ATOM 1291 C ILE A 82 -4.715 -14.384 -0.952 1.00 1.00 C ATOM 1292 O ILE A 82 -5.014 -14.560 0.229 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.417 -12.248 -1.092 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.399 -10.844 -1.704 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.184 -13.022 -1.562 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.243 -10.036 -1.109 1.00 1.00 C ATOM 0 H ILE A 82 -5.936 -12.154 -0.062 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.706 -13.041 -2.622 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.402 -12.178 -0.004 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.290 -10.910 -2.786 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.346 -10.340 -1.509 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.283 -12.498 -1.244 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -2.195 -14.022 -1.128 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -2.195 -13.098 -2.649 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.234 -9.038 -1.547 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.372 -9.957 -0.029 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.299 -10.537 -1.326 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.415 -15.379 -1.791 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.416 -16.775 -1.355 1.00 1.00 C ATOM 1310 C ASP A 83 -3.983 -16.889 0.103 1.00 1.00 C ATOM 1311 O ASP A 83 -2.802 -16.758 0.424 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.470 -17.595 -2.234 1.00 1.00 C ATOM 1313 CG ASP A 83 -4.024 -17.686 -3.652 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.891 -18.514 -3.876 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.576 -16.923 -4.493 1.00 1.00 O ATOM 0 H ASP A 83 -4.169 -15.243 -2.772 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.431 -17.161 -1.449 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.483 -17.133 -2.249 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.348 -18.595 -1.817 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.954 -17.122 0.979 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.673 -17.241 2.402 1.00 1.00 C ATOM 1322 C GLY A 84 -5.809 -16.649 3.231 1.00 1.00 C ATOM 1323 O GLY A 84 -6.408 -17.337 4.058 1.00 1.00 O ATOM 0 H GLY A 84 -5.937 -17.231 0.729 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.535 -18.290 2.663 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.740 -16.728 2.637 1.00 1.00 H new ATOM 1327 N LYS A 85 -6.097 -15.371 3.008 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.162 -14.696 3.742 1.00 1.00 C ATOM 1329 C LYS A 85 -7.415 -13.305 3.167 1.00 1.00 C ATOM 1330 O LYS A 85 -6.761 -12.890 2.208 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.783 -14.578 5.219 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.266 -14.420 5.347 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.942 -13.613 6.606 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.479 -13.834 6.994 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.340 -15.150 7.681 1.00 1.00 N ATOM 0 H LYS A 85 -5.611 -14.785 2.329 1.00 1.00 H new ATOM 0 HA LYS A 85 -8.073 -15.286 3.646 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.287 -13.722 5.667 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.114 -15.463 5.762 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.791 -15.400 5.398 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.866 -13.917 4.467 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.126 -12.553 6.428 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.596 -13.917 7.424 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.848 -13.807 6.106 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.140 -13.032 7.650 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.601 -15.085 8.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.244 -15.406 8.126 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.077 -15.878 6.986 1.00 1.00 H new ATOM 1349 N THR A 86 -8.364 -12.589 3.760 1.00 1.00 N ATOM 1350 CA THR A 86 -8.696 -11.244 3.300 1.00 1.00 C ATOM 1351 C THR A 86 -7.573 -10.270 3.642 1.00 1.00 C ATOM 1352 O THR A 86 -6.973 -10.353 4.714 1.00 1.00 O ATOM 1353 CB THR A 86 -9.998 -10.776 3.954 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.735 -11.905 4.399 1.00 1.00 O ATOM 1355 CG2 THR A 86 -10.828 -9.991 2.937 1.00 1.00 C ATOM 0 H THR A 86 -8.914 -12.914 4.555 1.00 1.00 H new ATOM 0 HA THR A 86 -8.822 -11.270 2.218 1.00 1.00 H new ATOM 0 HB THR A 86 -9.768 -10.134 4.804 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.524 -12.083 5.339 1.00 1.00 H new ATOM 0 HG21 THR A 86 -11.755 -9.658 3.403 1.00 1.00 H new ATOM 0 HG22 THR A 86 -10.261 -9.124 2.596 1.00 1.00 H new ATOM 0 HG23 THR A 86 -11.060 -10.631 2.085 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.295 -9.351 2.720 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.240 -8.360 2.924 1.00 1.00 C ATOM 1365 C ILE A 87 -6.818 -6.947 2.913 1.00 1.00 C ATOM 1366 O ILE A 87 -7.600 -6.591 2.027 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.183 -8.493 1.822 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.587 -9.908 1.843 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.078 -7.458 2.045 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.397 -9.968 2.806 1.00 1.00 C ATOM 0 H ILE A 87 -7.783 -9.272 1.828 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.779 -8.540 3.895 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.648 -8.318 0.852 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.348 -10.626 2.149 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.267 -10.190 0.840 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.327 -7.553 1.261 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.507 -6.456 2.017 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.612 -7.626 3.016 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.984 -10.977 2.811 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.631 -9.264 2.482 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.729 -9.706 3.811 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.431 -6.149 3.908 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.915 -4.776 4.017 1.00 1.00 C ATOM 1384 C GLY A 88 -5.792 -3.773 3.769 1.00 1.00 C ATOM 1385 O GLY A 88 -4.628 -4.150 3.635 1.00 1.00 O ATOM 0 H GLY A 88 -5.786 -6.430 4.647 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.717 -4.612 3.298 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.338 -4.614 5.009 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.154 -2.493 3.710 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.176 -1.434 3.480 1.00 1.00 C ATOM 1391 C VAL A 89 -5.355 -0.308 4.494 1.00 1.00 C ATOM 1392 O VAL A 89 -6.479 0.065 4.830 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.339 -0.872 2.068 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.107 -0.046 1.700 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.491 -2.024 1.073 1.00 1.00 C ATOM 0 H VAL A 89 -7.114 -2.166 3.818 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.178 -1.858 3.593 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.226 -0.239 2.032 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.225 0.354 0.693 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.996 0.777 2.407 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.220 -0.679 1.738 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.607 -1.622 0.066 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.604 -2.657 1.111 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.370 -2.615 1.332 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.240 0.232 4.977 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.287 1.318 5.949 1.00 1.00 C ATOM 1407 C ASP A 90 -3.119 2.277 5.738 1.00 1.00 C ATOM 1408 O ASP A 90 -2.115 1.919 5.123 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.236 0.753 7.370 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.129 -0.767 7.326 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -3.015 -1.262 7.293 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -5.163 -1.415 7.332 1.00 1.00 O ATOM 0 H ASP A 90 -3.300 -0.062 4.713 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.220 1.863 5.810 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.383 1.170 7.905 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -5.131 1.047 7.919 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.256 3.495 6.253 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.204 4.495 6.116 1.00 1.00 C ATOM 1419 C PHE A 91 -1.064 4.208 7.088 1.00 1.00 C ATOM 1420 O PHE A 91 -1.168 3.323 7.937 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.774 5.885 6.395 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.403 6.441 5.138 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.595 6.821 4.059 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.793 6.578 5.054 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.179 7.338 2.897 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.377 7.094 3.890 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.569 7.473 2.811 1.00 1.00 C ATOM 0 H PHE A 91 -4.079 3.811 6.765 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.817 4.455 5.098 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.517 5.831 7.191 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -1.983 6.550 6.742 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.522 6.715 4.124 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.416 6.286 5.887 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.556 7.633 2.066 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.450 7.199 3.825 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.019 7.869 1.913 1.00 1.00 H new ATOM 1437 N ALA A 92 0.020 4.965 6.960 1.00 1.00 N ATOM 1438 CA ALA A 92 1.174 4.784 7.834 1.00 1.00 C ATOM 1439 C ALA A 92 0.930 5.447 9.186 1.00 1.00 C ATOM 1440 O ALA A 92 1.067 6.662 9.326 1.00 1.00 O ATOM 1441 CB ALA A 92 2.421 5.388 7.185 1.00 1.00 C ATOM 0 H ALA A 92 0.124 5.704 6.265 1.00 1.00 H new ATOM 0 HA ALA A 92 1.326 3.716 7.987 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.278 5.249 7.844 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.611 4.893 6.233 1.00 1.00 H new ATOM 0 HB3 ALA A 92 2.263 6.453 7.015 1.00 1.00 H new ATOM 1447 N LYS A 93 0.568 4.640 10.178 1.00 1.00 N ATOM 1448 CA LYS A 93 0.308 5.160 11.515 1.00 1.00 C ATOM 1449 C LYS A 93 1.499 4.901 12.433 1.00 1.00 C ATOM 1450 O LYS A 93 2.593 4.578 11.969 1.00 1.00 O ATOM 1451 CB LYS A 93 -0.941 4.497 12.100 1.00 1.00 C ATOM 1452 CG LYS A 93 -2.122 4.705 11.150 1.00 1.00 C ATOM 1453 CD LYS A 93 -3.428 4.683 11.947 1.00 1.00 C ATOM 1454 CE LYS A 93 -4.612 4.866 10.994 1.00 1.00 C ATOM 1455 NZ LYS A 93 -5.269 6.174 11.265 1.00 1.00 N ATOM 0 H LYS A 93 0.449 3.631 10.083 1.00 1.00 H new ATOM 0 HA LYS A 93 0.148 6.236 11.440 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -0.764 3.432 12.249 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -1.168 4.923 13.078 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -2.019 5.656 10.627 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -2.134 3.923 10.391 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -3.523 3.739 12.484 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -3.423 5.476 12.695 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -4.270 4.826 9.960 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -5.327 4.054 11.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -6.074 6.299 10.618 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -5.609 6.195 12.248 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -4.584 6.943 11.119 1.00 1.00 H new ATOM 1469 N SER A 94 1.279 5.048 13.735 1.00 1.00 N ATOM 1470 CA SER A 94 2.344 4.827 14.708 1.00 1.00 C ATOM 1471 C SER A 94 2.376 3.366 15.145 1.00 1.00 C ATOM 1472 O SER A 94 1.892 3.018 16.222 1.00 1.00 O ATOM 1473 CB SER A 94 2.126 5.720 15.930 1.00 1.00 C ATOM 1474 OG SER A 94 0.738 5.784 16.223 1.00 1.00 O ATOM 0 H SER A 94 0.382 5.317 14.139 1.00 1.00 H new ATOM 0 HA SER A 94 3.296 5.076 14.239 1.00 1.00 H new ATOM 0 HB2 SER A 94 2.672 5.324 16.786 1.00 1.00 H new ATOM 0 HB3 SER A 94 2.515 6.720 15.738 1.00 1.00 H new ATOM 0 HG SER A 94 0.595 6.354 17.007 1.00 1.00 H new ATOM 1480 N ALA A 95 2.951 2.514 14.300 1.00 1.00 N ATOM 1481 CA ALA A 95 3.041 1.092 14.609 1.00 1.00 C ATOM 1482 C ALA A 95 4.266 0.475 13.943 1.00 1.00 C ATOM 1483 O ALA A 95 5.366 0.893 14.268 1.00 1.00 O ATOM 1484 CB ALA A 95 1.779 0.372 14.128 1.00 1.00 C ATOM 1485 OXT ALA A 95 4.087 -0.405 13.118 1.00 1.00 O ATOM 0 H ALA A 95 3.358 2.781 13.404 1.00 1.00 H new ATOM 0 HA ALA A 95 3.134 0.980 15.689 1.00 1.00 H new ATOM 0 HB1 ALA A 95 1.854 -0.690 14.363 1.00 1.00 H new ATOM 0 HB2 ALA A 95 0.907 0.793 14.628 1.00 1.00 H new ATOM 0 HB3 ALA A 95 1.676 0.499 13.050 1.00 1.00 H new TER 1491 ALA A 95