USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 566 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 20 SER OG : rot 44:sc= 0.0589 USER MOD Set 1.2: A 22 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 1 ALA N :NH3+ 167:sc= -0.0322 (180deg=-0.224) USER MOD Single : A 4 MET CE :methyl -136:sc= -0.0789 (180deg=-0.283) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -90:sc= -2 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.121 USER MOD Single : A 34 THR OG1 : rot -42:sc= 1.04 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00571 F(o=-0.58,f=-0.0057) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -148:sc= -3.68! (180deg=-6.05!) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0697 USER MOD Single : A 57 ASN : amide:sc= -0.495 X(o=-0.49,f=-0.14) USER MOD Single : A 61 SER OG : rot 80:sc= 0.12 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl -175:sc= -0.092 (180deg=-0.15) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.082 -2.343 0.633 1.00 0.00 N ATOM 2 CA ALA A 1 4.278 -2.330 -0.200 1.00 0.00 C ATOM 3 C ALA A 1 4.160 -3.333 -1.344 1.00 0.00 C ATOM 4 O ALA A 1 5.157 -3.903 -1.787 1.00 0.00 O ATOM 5 CB ALA A 1 5.510 -2.628 0.640 1.00 0.00 C ATOM 0 H1 ALA A 1 3.268 -1.826 1.516 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.299 -1.887 0.123 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.824 -3.326 0.855 1.00 0.00 H new ATOM 0 HA ALA A 1 4.379 -1.334 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.396 -2.615 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.611 -1.872 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.408 -3.611 1.100 1.00 0.00 H new ATOM 11 N ASP A 2 2.936 -3.543 -1.816 1.00 0.00 N ATOM 12 CA ASP A 2 2.688 -4.477 -2.908 1.00 0.00 C ATOM 13 C ASP A 2 3.398 -4.025 -4.181 1.00 0.00 C ATOM 14 O ASP A 2 3.825 -2.876 -4.291 1.00 0.00 O ATOM 15 CB ASP A 2 1.186 -4.607 -3.165 1.00 0.00 C ATOM 16 CG ASP A 2 0.509 -5.541 -2.182 1.00 0.00 C ATOM 17 OD1 ASP A 2 1.077 -6.617 -1.899 1.00 0.00 O ATOM 18 OD2 ASP A 2 -0.589 -5.198 -1.696 1.00 0.00 O ATOM 0 H ASP A 2 2.100 -3.079 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 2 3.084 -5.450 -2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.723 -3.622 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.024 -4.972 -4.179 1.00 0.00 H new ATOM 23 N ASP A 3 3.521 -4.937 -5.139 1.00 0.00 N ATOM 24 CA ASP A 3 4.179 -4.633 -6.404 1.00 0.00 C ATOM 25 C ASP A 3 3.152 -4.394 -7.507 1.00 0.00 C ATOM 26 O ASP A 3 3.351 -3.552 -8.382 1.00 0.00 O ATOM 27 CB ASP A 3 5.117 -5.773 -6.803 1.00 0.00 C ATOM 28 CG ASP A 3 4.381 -6.927 -7.455 1.00 0.00 C ATOM 29 OD1 ASP A 3 3.869 -7.797 -6.719 1.00 0.00 O ATOM 30 OD2 ASP A 3 4.317 -6.960 -8.702 1.00 0.00 O ATOM 0 H ASP A 3 3.174 -5.893 -5.064 1.00 0.00 H new ATOM 0 HA ASP A 3 4.763 -3.722 -6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.873 -5.394 -7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.642 -6.134 -5.919 1.00 0.00 H new ATOM 35 N MET A 4 2.054 -5.141 -7.458 1.00 0.00 N ATOM 36 CA MET A 4 0.996 -5.009 -8.453 1.00 0.00 C ATOM 37 C MET A 4 0.659 -3.541 -8.697 1.00 0.00 C ATOM 38 O MET A 4 0.511 -3.112 -9.841 1.00 0.00 O ATOM 39 CB MET A 4 -0.256 -5.763 -8.000 1.00 0.00 C ATOM 40 CG MET A 4 -0.036 -7.257 -7.828 1.00 0.00 C ATOM 41 SD MET A 4 -0.472 -8.198 -9.304 1.00 0.00 S ATOM 42 CE MET A 4 1.134 -8.385 -10.073 1.00 0.00 C ATOM 0 H MET A 4 1.874 -5.843 -6.741 1.00 0.00 H new ATOM 0 HA MET A 4 1.354 -5.441 -9.387 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.601 -5.344 -7.055 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.051 -5.602 -8.729 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.010 -7.440 -7.581 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.630 -7.613 -6.986 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.050 -8.192 -11.142 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.834 -7.677 -9.630 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.497 -9.401 -9.915 1.00 0.00 H new ATOM 52 N GLU A 5 0.538 -2.778 -7.615 1.00 0.00 N ATOM 53 CA GLU A 5 0.218 -1.359 -7.714 1.00 0.00 C ATOM 54 C GLU A 5 1.198 -0.643 -8.638 1.00 0.00 C ATOM 55 O GLU A 5 0.797 0.146 -9.494 1.00 0.00 O ATOM 56 CB GLU A 5 0.239 -0.711 -6.328 1.00 0.00 C ATOM 57 CG GLU A 5 -0.886 0.285 -6.104 1.00 0.00 C ATOM 58 CD GLU A 5 -1.559 0.111 -4.757 1.00 0.00 C ATOM 59 OE1 GLU A 5 -0.840 -0.102 -3.758 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.804 0.188 -4.701 1.00 0.00 O ATOM 0 H GLU A 5 0.657 -3.119 -6.661 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.783 -1.267 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.177 -1.492 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.194 -0.205 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.490 1.298 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.628 0.173 -6.894 1.00 0.00 H new ATOM 67 N ARG A 6 2.485 -0.923 -8.458 1.00 0.00 N ATOM 68 CA ARG A 6 3.523 -0.305 -9.274 1.00 0.00 C ATOM 69 C ARG A 6 3.258 -0.536 -10.758 1.00 0.00 C ATOM 70 O ARG A 6 3.070 0.413 -11.521 1.00 0.00 O ATOM 71 CB ARG A 6 4.897 -0.863 -8.897 1.00 0.00 C ATOM 72 CG ARG A 6 5.342 -0.488 -7.493 1.00 0.00 C ATOM 73 CD ARG A 6 5.488 1.018 -7.339 1.00 0.00 C ATOM 74 NE ARG A 6 5.972 1.388 -6.011 1.00 0.00 N ATOM 75 CZ ARG A 6 6.251 2.636 -5.652 1.00 0.00 C ATOM 76 NH1 ARG A 6 6.095 3.628 -6.516 1.00 0.00 N ATOM 77 NH2 ARG A 6 6.686 2.892 -4.425 1.00 0.00 N ATOM 0 H ARG A 6 2.834 -1.574 -7.754 1.00 0.00 H new ATOM 0 HA ARG A 6 3.509 0.768 -9.083 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.875 -1.949 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.636 -0.501 -9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.618 -0.860 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.293 -0.972 -7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.178 1.394 -8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.525 1.496 -7.520 1.00 0.00 H new ATOM 0 HE ARG A 6 6.103 0.647 -5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.760 3.434 -7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.310 4.585 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.806 2.130 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.900 3.850 -4.149 1.00 0.00 H new ATOM 91 N ILE A 7 3.244 -1.802 -11.162 1.00 0.00 N ATOM 92 CA ILE A 7 3.001 -2.158 -12.554 1.00 0.00 C ATOM 93 C ILE A 7 1.671 -1.594 -13.042 1.00 0.00 C ATOM 94 O ILE A 7 1.600 -0.969 -14.100 1.00 0.00 O ATOM 95 CB ILE A 7 3.003 -3.685 -12.754 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.247 -4.304 -12.113 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.940 -4.025 -14.236 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.969 -4.985 -10.791 1.00 0.00 C ATOM 0 H ILE A 7 3.398 -2.599 -10.544 1.00 0.00 H new ATOM 0 HA ILE A 7 3.813 -1.723 -13.137 1.00 0.00 H new ATOM 0 HB ILE A 7 2.121 -4.101 -12.267 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.679 -5.029 -12.803 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.994 -3.525 -11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.942 -5.108 -14.361 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.027 -3.612 -14.666 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.805 -3.599 -14.744 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.895 -5.401 -10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.566 -4.259 -10.085 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.246 -5.787 -10.940 1.00 0.00 H new ATOM 110 N PHE A 8 0.619 -1.817 -12.261 1.00 0.00 N ATOM 111 CA PHE A 8 -0.710 -1.330 -12.613 1.00 0.00 C ATOM 112 C PHE A 8 -0.679 0.165 -12.917 1.00 0.00 C ATOM 113 O PHE A 8 -1.327 0.633 -13.854 1.00 0.00 O ATOM 114 CB PHE A 8 -1.696 -1.610 -11.476 1.00 0.00 C ATOM 115 CG PHE A 8 -3.068 -1.052 -11.722 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.985 -1.746 -12.496 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.442 0.167 -11.180 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.249 -1.236 -12.724 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.705 0.682 -11.404 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.609 -0.019 -12.178 1.00 0.00 C ATOM 0 H PHE A 8 0.661 -2.331 -11.381 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.038 -1.858 -13.508 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.772 -2.687 -11.328 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.301 -1.189 -10.551 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.708 -2.697 -12.926 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.739 0.721 -10.576 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.954 -1.788 -13.328 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.985 1.632 -10.974 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.595 0.383 -12.356 1.00 0.00 H new ATOM 130 N LYS A 9 0.078 0.909 -12.119 1.00 0.00 N ATOM 131 CA LYS A 9 0.195 2.351 -12.301 1.00 0.00 C ATOM 132 C LYS A 9 1.171 2.679 -13.427 1.00 0.00 C ATOM 133 O LYS A 9 1.145 3.777 -13.983 1.00 0.00 O ATOM 134 CB LYS A 9 0.657 3.015 -11.002 1.00 0.00 C ATOM 135 CG LYS A 9 -0.403 3.027 -9.915 1.00 0.00 C ATOM 136 CD LYS A 9 0.219 3.050 -8.529 1.00 0.00 C ATOM 137 CE LYS A 9 1.092 4.280 -8.331 1.00 0.00 C ATOM 138 NZ LYS A 9 0.688 5.059 -7.128 1.00 0.00 N ATOM 0 H LYS A 9 0.620 0.537 -11.339 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.788 2.739 -12.570 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.540 2.494 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.958 4.041 -11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.045 3.899 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.038 2.147 -10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.568 3.036 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.817 2.151 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.134 3.974 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.029 4.916 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.307 5.889 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.298 5.373 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.773 4.460 -6.282 1.00 0.00 H new ATOM 152 N ARG A 10 2.030 1.721 -13.757 1.00 0.00 N ATOM 153 CA ARG A 10 3.014 1.908 -14.817 1.00 0.00 C ATOM 154 C ARG A 10 2.335 2.301 -16.126 1.00 0.00 C ATOM 155 O ARG A 10 2.610 3.362 -16.686 1.00 0.00 O ATOM 156 CB ARG A 10 3.830 0.630 -15.016 1.00 0.00 C ATOM 157 CG ARG A 10 5.313 0.882 -15.234 1.00 0.00 C ATOM 158 CD ARG A 10 5.801 0.251 -16.528 1.00 0.00 C ATOM 159 NE ARG A 10 6.787 1.088 -17.208 1.00 0.00 N ATOM 160 CZ ARG A 10 7.212 0.865 -18.446 1.00 0.00 C ATOM 161 NH1 ARG A 10 6.740 -0.163 -19.137 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.110 1.672 -18.996 1.00 0.00 N ATOM 0 H ARG A 10 2.065 0.807 -13.306 1.00 0.00 H new ATOM 0 HA ARG A 10 3.683 2.715 -14.519 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.703 -0.011 -14.144 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.433 0.085 -15.872 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.501 1.955 -15.258 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.879 0.478 -14.395 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.239 -0.724 -16.313 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.952 0.080 -17.190 1.00 0.00 H new ATOM 0 HE ARG A 10 7.170 1.888 -16.704 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.049 -0.785 -18.718 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.068 -0.332 -20.088 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.475 2.465 -18.468 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.436 1.500 -19.947 1.00 0.00 H new ATOM 176 N PHE A 11 1.448 1.437 -16.608 1.00 0.00 N ATOM 177 CA PHE A 11 0.731 1.693 -17.852 1.00 0.00 C ATOM 178 C PHE A 11 -0.326 2.776 -17.658 1.00 0.00 C ATOM 179 O PHE A 11 -0.741 3.432 -18.613 1.00 0.00 O ATOM 180 CB PHE A 11 0.074 0.408 -18.360 1.00 0.00 C ATOM 181 CG PHE A 11 1.014 -0.762 -18.422 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.357 -0.574 -18.704 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.554 -2.050 -18.198 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.224 -1.649 -18.762 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.416 -3.129 -18.255 1.00 0.00 C ATOM 186 CZ PHE A 11 2.753 -2.928 -18.536 1.00 0.00 C ATOM 0 H PHE A 11 1.208 0.554 -16.157 1.00 0.00 H new ATOM 0 HA PHE A 11 1.451 2.042 -18.592 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.764 0.156 -17.710 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.336 0.587 -19.354 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.731 0.424 -18.881 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.490 -2.213 -17.976 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.269 -1.489 -18.984 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.044 -4.128 -18.080 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.429 -3.769 -18.579 1.00 0.00 H new ATOM 196 N ASP A 12 -0.758 2.956 -16.415 1.00 0.00 N ATOM 197 CA ASP A 12 -1.766 3.959 -16.093 1.00 0.00 C ATOM 198 C ASP A 12 -1.153 5.356 -16.062 1.00 0.00 C ATOM 199 O ASP A 12 -1.183 6.036 -15.036 1.00 0.00 O ATOM 200 CB ASP A 12 -2.419 3.644 -14.746 1.00 0.00 C ATOM 201 CG ASP A 12 -3.816 4.220 -14.631 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.641 3.960 -15.532 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.086 4.929 -13.640 1.00 0.00 O ATOM 0 H ASP A 12 -0.426 2.420 -15.613 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.529 3.934 -16.871 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.463 2.563 -14.611 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.798 4.041 -13.943 1.00 0.00 H new ATOM 208 N THR A 13 -0.596 5.778 -17.193 1.00 0.00 N ATOM 209 CA THR A 13 0.027 7.091 -17.294 1.00 0.00 C ATOM 210 C THR A 13 -0.933 8.109 -17.899 1.00 0.00 C ATOM 211 O THR A 13 -0.542 9.230 -18.221 1.00 0.00 O ATOM 212 CB THR A 13 1.308 7.041 -18.147 1.00 0.00 C ATOM 213 OG1 THR A 13 2.040 5.844 -17.863 1.00 0.00 O ATOM 214 CG2 THR A 13 2.186 8.254 -17.876 1.00 0.00 C ATOM 0 H THR A 13 -0.564 5.229 -18.052 1.00 0.00 H new ATOM 0 HA THR A 13 0.286 7.397 -16.280 1.00 0.00 H new ATOM 0 HB THR A 13 1.018 7.048 -19.198 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.852 5.819 -18.411 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.085 8.197 -18.490 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.637 9.163 -18.121 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.466 8.272 -16.823 1.00 0.00 H new ATOM 222 N ASN A 14 -2.192 7.712 -18.050 1.00 0.00 N ATOM 223 CA ASN A 14 -3.209 8.591 -18.616 1.00 0.00 C ATOM 224 C ASN A 14 -4.098 9.171 -17.521 1.00 0.00 C ATOM 225 O ASN A 14 -4.761 10.188 -17.719 1.00 0.00 O ATOM 226 CB ASN A 14 -4.064 7.829 -19.631 1.00 0.00 C ATOM 227 CG ASN A 14 -3.268 6.780 -20.385 1.00 0.00 C ATOM 228 OD1 ASN A 14 -2.735 7.045 -21.463 1.00 0.00 O ATOM 229 ND2 ASN A 14 -3.186 5.581 -19.820 1.00 0.00 N ATOM 0 H ASN A 14 -2.533 6.787 -17.788 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.702 9.413 -19.121 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.895 7.349 -19.114 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.495 8.534 -20.341 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.665 4.835 -20.281 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.644 5.406 -18.925 1.00 0.00 H new ATOM 236 N GLY A 15 -4.105 8.517 -16.363 1.00 0.00 N ATOM 237 CA GLY A 15 -4.915 8.983 -15.253 1.00 0.00 C ATOM 238 C GLY A 15 -6.271 8.308 -15.200 1.00 0.00 C ATOM 239 O GLY A 15 -7.199 8.813 -14.569 1.00 0.00 O ATOM 0 H GLY A 15 -3.564 7.673 -16.174 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.385 8.800 -14.318 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.052 10.061 -15.335 1.00 0.00 H new ATOM 243 N ASP A 16 -6.386 7.164 -15.866 1.00 0.00 N ATOM 244 CA ASP A 16 -7.639 6.418 -15.893 1.00 0.00 C ATOM 245 C ASP A 16 -7.668 5.364 -14.790 1.00 0.00 C ATOM 246 O ASP A 16 -6.665 5.125 -14.119 1.00 0.00 O ATOM 247 CB ASP A 16 -7.831 5.752 -17.256 1.00 0.00 C ATOM 248 CG ASP A 16 -9.287 5.458 -17.557 1.00 0.00 C ATOM 249 OD1 ASP A 16 -10.079 6.419 -17.651 1.00 0.00 O ATOM 250 OD2 ASP A 16 -9.636 4.266 -17.696 1.00 0.00 O ATOM 0 H ASP A 16 -5.627 6.733 -16.394 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.455 7.120 -15.722 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.426 6.399 -18.034 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.262 4.823 -17.286 1.00 0.00 H new ATOM 255 N GLY A 17 -8.826 4.738 -14.607 1.00 0.00 N ATOM 256 CA GLY A 17 -8.965 3.718 -13.584 1.00 0.00 C ATOM 257 C GLY A 17 -8.661 2.328 -14.106 1.00 0.00 C ATOM 258 O GLY A 17 -8.859 1.336 -13.404 1.00 0.00 O ATOM 0 H GLY A 17 -9.671 4.919 -15.149 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.295 3.946 -12.755 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.981 3.740 -13.189 1.00 0.00 H new ATOM 262 N LYS A 18 -8.180 2.254 -15.342 1.00 0.00 N ATOM 263 CA LYS A 18 -7.848 0.975 -15.959 1.00 0.00 C ATOM 264 C LYS A 18 -6.633 1.110 -16.870 1.00 0.00 C ATOM 265 O LYS A 18 -6.181 2.219 -17.158 1.00 0.00 O ATOM 266 CB LYS A 18 -9.041 0.446 -16.757 1.00 0.00 C ATOM 267 CG LYS A 18 -10.349 0.469 -15.984 1.00 0.00 C ATOM 268 CD LYS A 18 -11.527 0.097 -16.869 1.00 0.00 C ATOM 269 CE LYS A 18 -12.288 1.330 -17.330 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.655 0.989 -17.814 1.00 0.00 N ATOM 0 H LYS A 18 -8.011 3.065 -15.937 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.608 0.268 -15.165 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.154 1.041 -17.663 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.832 -0.577 -17.071 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.289 -0.225 -15.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.507 1.463 -15.565 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.171 -0.458 -17.737 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.200 -0.564 -16.323 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.361 2.041 -16.507 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.732 1.822 -18.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.141 1.856 -18.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.585 0.330 -18.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.194 0.542 -17.045 1.00 0.00 H new ATOM 284 N ILE A 19 -6.109 -0.025 -17.323 1.00 0.00 N ATOM 285 CA ILE A 19 -4.948 -0.032 -18.204 1.00 0.00 C ATOM 286 C ILE A 19 -5.158 -0.978 -19.382 1.00 0.00 C ATOM 287 O ILE A 19 -5.679 -2.081 -19.220 1.00 0.00 O ATOM 288 CB ILE A 19 -3.671 -0.445 -17.449 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.860 -1.815 -16.796 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.312 0.601 -16.405 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.626 -2.317 -16.079 1.00 0.00 C ATOM 0 H ILE A 19 -6.470 -0.951 -17.094 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.827 0.986 -18.575 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.850 -0.514 -18.163 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.686 -1.760 -16.086 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.145 -2.537 -17.561 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.407 0.295 -15.880 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.141 1.560 -16.894 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.130 0.699 -15.692 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.832 -3.293 -15.640 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.803 -2.405 -16.789 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.352 -1.615 -15.291 1.00 0.00 H new ATOM 303 N SER A 20 -4.746 -0.539 -20.567 1.00 0.00 N ATOM 304 CA SER A 20 -4.890 -1.345 -21.773 1.00 0.00 C ATOM 305 C SER A 20 -4.221 -2.705 -21.600 1.00 0.00 C ATOM 306 O SER A 20 -3.026 -2.790 -21.312 1.00 0.00 O ATOM 307 CB SER A 20 -4.286 -0.616 -22.975 1.00 0.00 C ATOM 308 OG SER A 20 -4.958 -0.965 -24.173 1.00 0.00 O ATOM 0 H SER A 20 -4.310 0.371 -20.717 1.00 0.00 H new ATOM 0 HA SER A 20 -5.954 -1.502 -21.950 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.348 0.461 -22.820 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.228 -0.865 -23.062 1.00 0.00 H new ATOM 0 HG SER A 20 -5.926 -0.965 -24.017 1.00 0.00 H new ATOM 314 N LEU A 21 -4.999 -3.767 -21.778 1.00 0.00 N ATOM 315 CA LEU A 21 -4.483 -5.125 -21.642 1.00 0.00 C ATOM 316 C LEU A 21 -3.872 -5.609 -22.953 1.00 0.00 C ATOM 317 O LEU A 21 -3.126 -6.588 -22.978 1.00 0.00 O ATOM 318 CB LEU A 21 -5.600 -6.075 -21.205 1.00 0.00 C ATOM 319 CG LEU A 21 -6.974 -5.827 -21.829 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.898 -5.928 -23.344 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.995 -6.811 -21.277 1.00 0.00 C ATOM 0 H LEU A 21 -5.989 -3.714 -22.017 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.703 -5.116 -20.880 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.295 -7.095 -21.440 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.699 -6.014 -20.121 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.294 -4.818 -21.569 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.885 -5.749 -23.771 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.198 -5.184 -23.724 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.557 -6.924 -23.626 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.967 -6.620 -21.732 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.680 -7.829 -21.507 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.070 -6.690 -20.196 1.00 0.00 H new ATOM 333 N SER A 22 -4.191 -4.915 -24.041 1.00 0.00 N ATOM 334 CA SER A 22 -3.675 -5.275 -25.356 1.00 0.00 C ATOM 335 C SER A 22 -2.264 -4.729 -25.554 1.00 0.00 C ATOM 336 O SER A 22 -1.381 -5.428 -26.049 1.00 0.00 O ATOM 337 CB SER A 22 -4.599 -4.743 -26.453 1.00 0.00 C ATOM 338 OG SER A 22 -5.007 -3.415 -26.176 1.00 0.00 O ATOM 0 H SER A 22 -4.804 -4.100 -24.037 1.00 0.00 H new ATOM 0 HA SER A 22 -3.637 -6.363 -25.419 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.085 -4.776 -27.414 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.475 -5.386 -26.538 1.00 0.00 H new ATOM 0 HG SER A 22 -5.595 -3.097 -26.892 1.00 0.00 H new ATOM 344 N GLU A 23 -2.063 -3.474 -25.165 1.00 0.00 N ATOM 345 CA GLU A 23 -0.760 -2.833 -25.300 1.00 0.00 C ATOM 346 C GLU A 23 0.253 -3.449 -24.339 1.00 0.00 C ATOM 347 O GLU A 23 1.459 -3.415 -24.585 1.00 0.00 O ATOM 348 CB GLU A 23 -0.877 -1.329 -25.040 1.00 0.00 C ATOM 349 CG GLU A 23 -1.860 -0.627 -25.961 1.00 0.00 C ATOM 350 CD GLU A 23 -1.273 -0.339 -27.329 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.281 0.416 -27.402 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.807 -0.867 -28.327 1.00 0.00 O ATOM 0 H GLU A 23 -2.785 -2.882 -24.754 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.410 -2.992 -26.320 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.184 -1.170 -24.006 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.106 -0.871 -25.155 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.751 -1.245 -26.075 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.178 0.309 -25.502 1.00 0.00 H new ATOM 359 N LEU A 24 -0.247 -4.012 -23.245 1.00 0.00 N ATOM 360 CA LEU A 24 0.613 -4.636 -22.245 1.00 0.00 C ATOM 361 C LEU A 24 1.375 -5.815 -22.842 1.00 0.00 C ATOM 362 O LEU A 24 2.605 -5.812 -22.894 1.00 0.00 O ATOM 363 CB LEU A 24 -0.218 -5.104 -21.049 1.00 0.00 C ATOM 364 CG LEU A 24 0.447 -6.128 -20.129 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.168 -7.542 -20.613 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.946 -5.877 -20.047 1.00 0.00 C ATOM 0 H LEU A 24 -1.243 -4.049 -23.028 1.00 0.00 H new ATOM 0 HA LEU A 24 1.336 -3.893 -21.908 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.486 -4.231 -20.454 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.148 -5.532 -21.423 1.00 0.00 H new ATOM 0 HG LEU A 24 0.025 -6.018 -19.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.649 -8.257 -19.946 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.908 -7.719 -20.619 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.562 -7.666 -21.622 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.403 -6.615 -19.388 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.384 -5.959 -21.042 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.126 -4.877 -19.652 1.00 0.00 H new ATOM 378 N THR A 25 0.636 -6.823 -23.294 1.00 0.00 N ATOM 379 CA THR A 25 1.241 -8.008 -23.889 1.00 0.00 C ATOM 380 C THR A 25 2.185 -7.633 -25.025 1.00 0.00 C ATOM 381 O THR A 25 3.210 -8.282 -25.233 1.00 0.00 O ATOM 382 CB THR A 25 0.170 -8.977 -24.425 1.00 0.00 C ATOM 383 OG1 THR A 25 0.785 -9.994 -25.224 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.867 -8.232 -25.254 1.00 0.00 C ATOM 0 H THR A 25 -0.383 -6.842 -23.259 1.00 0.00 H new ATOM 0 HA THR A 25 1.806 -8.503 -23.100 1.00 0.00 H new ATOM 0 HB THR A 25 -0.331 -9.438 -23.573 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.822 -9.699 -26.158 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.613 -8.936 -25.622 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.354 -7.478 -24.636 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.378 -7.748 -26.099 1.00 0.00 H new ATOM 392 N ASP A 26 1.834 -6.581 -25.756 1.00 0.00 N ATOM 393 CA ASP A 26 2.652 -6.117 -26.870 1.00 0.00 C ATOM 394 C ASP A 26 3.825 -5.279 -26.372 1.00 0.00 C ATOM 395 O ASP A 26 4.819 -5.105 -27.076 1.00 0.00 O ATOM 396 CB ASP A 26 1.805 -5.300 -27.847 1.00 0.00 C ATOM 397 CG ASP A 26 2.334 -5.364 -29.266 1.00 0.00 C ATOM 398 OD1 ASP A 26 2.352 -6.471 -29.844 1.00 0.00 O ATOM 399 OD2 ASP A 26 2.729 -4.307 -29.800 1.00 0.00 O ATOM 0 H ASP A 26 0.988 -6.033 -25.597 1.00 0.00 H new ATOM 0 HA ASP A 26 3.047 -6.992 -27.386 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.779 -5.667 -27.828 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.778 -4.261 -27.519 1.00 0.00 H new ATOM 404 N ALA A 27 3.702 -4.763 -25.154 1.00 0.00 N ATOM 405 CA ALA A 27 4.752 -3.945 -24.561 1.00 0.00 C ATOM 406 C ALA A 27 5.778 -4.809 -23.836 1.00 0.00 C ATOM 407 O ALA A 27 6.967 -4.489 -23.809 1.00 0.00 O ATOM 408 CB ALA A 27 4.150 -2.924 -23.606 1.00 0.00 C ATOM 0 H ALA A 27 2.885 -4.897 -24.558 1.00 0.00 H new ATOM 0 HA ALA A 27 5.264 -3.417 -25.365 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.946 -2.320 -23.170 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.461 -2.278 -24.151 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.611 -3.442 -22.812 1.00 0.00 H new ATOM 414 N LEU A 28 5.311 -5.905 -23.248 1.00 0.00 N ATOM 415 CA LEU A 28 6.189 -6.816 -22.521 1.00 0.00 C ATOM 416 C LEU A 28 7.390 -7.212 -23.374 1.00 0.00 C ATOM 417 O LEU A 28 8.447 -7.561 -22.850 1.00 0.00 O ATOM 418 CB LEU A 28 5.418 -8.067 -22.095 1.00 0.00 C ATOM 419 CG LEU A 28 4.822 -8.041 -20.687 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.940 -9.259 -20.458 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.927 -7.976 -19.642 1.00 0.00 C ATOM 0 H LEU A 28 4.330 -6.184 -23.260 1.00 0.00 H new ATOM 0 HA LEU A 28 6.552 -6.299 -21.633 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.609 -8.231 -22.807 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.087 -8.924 -22.169 1.00 0.00 H new ATOM 0 HG LEU A 28 4.205 -7.148 -20.591 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.525 -9.223 -19.451 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.128 -9.262 -21.185 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.534 -10.165 -20.573 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.485 -7.958 -18.646 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.570 -8.851 -19.738 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.518 -7.073 -19.793 1.00 0.00 H new ATOM 433 N ARG A 29 7.220 -7.151 -24.690 1.00 0.00 N ATOM 434 CA ARG A 29 8.290 -7.502 -25.616 1.00 0.00 C ATOM 435 C ARG A 29 9.528 -6.645 -25.366 1.00 0.00 C ATOM 436 O ARG A 29 10.659 -7.105 -25.530 1.00 0.00 O ATOM 437 CB ARG A 29 7.821 -7.329 -27.062 1.00 0.00 C ATOM 438 CG ARG A 29 7.673 -5.876 -27.484 1.00 0.00 C ATOM 439 CD ARG A 29 7.018 -5.757 -28.851 1.00 0.00 C ATOM 440 NE ARG A 29 7.995 -5.494 -29.905 1.00 0.00 N ATOM 441 CZ ARG A 29 7.666 -5.089 -31.127 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.393 -4.901 -31.447 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.612 -4.870 -32.031 1.00 0.00 N ATOM 0 H ARG A 29 6.351 -6.862 -25.140 1.00 0.00 H new ATOM 0 HA ARG A 29 8.552 -8.547 -25.449 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.531 -7.821 -27.727 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.863 -7.834 -27.188 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.076 -5.340 -26.746 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.654 -5.401 -27.507 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.480 -6.678 -29.077 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.281 -4.954 -28.831 1.00 0.00 H new ATOM 0 HE ARG A 29 8.983 -5.629 -29.691 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.663 -5.067 -30.754 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.144 -4.590 -32.386 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.592 -5.013 -31.788 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.359 -4.559 -32.969 1.00 0.00 H new ATOM 457 N THR A 30 9.306 -5.397 -24.967 1.00 0.00 N ATOM 458 CA THR A 30 10.402 -4.475 -24.695 1.00 0.00 C ATOM 459 C THR A 30 10.983 -4.706 -23.305 1.00 0.00 C ATOM 460 O THR A 30 12.152 -4.412 -23.053 1.00 0.00 O ATOM 461 CB THR A 30 9.945 -3.009 -24.812 1.00 0.00 C ATOM 462 OG1 THR A 30 11.063 -2.170 -25.124 1.00 0.00 O ATOM 463 CG2 THR A 30 9.298 -2.539 -23.517 1.00 0.00 C ATOM 0 H THR A 30 8.377 -5.001 -24.825 1.00 0.00 H new ATOM 0 HA THR A 30 11.171 -4.668 -25.443 1.00 0.00 H new ATOM 0 HB THR A 30 9.208 -2.944 -25.613 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.763 -1.240 -25.198 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.983 -1.501 -23.623 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.430 -3.161 -23.297 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.017 -2.618 -22.701 1.00 0.00 H new ATOM 471 N LEU A 31 10.160 -5.234 -22.406 1.00 0.00 N ATOM 472 CA LEU A 31 10.593 -5.505 -21.039 1.00 0.00 C ATOM 473 C LEU A 31 11.523 -6.713 -20.992 1.00 0.00 C ATOM 474 O LEU A 31 12.111 -7.017 -19.955 1.00 0.00 O ATOM 475 CB LEU A 31 9.381 -5.745 -20.137 1.00 0.00 C ATOM 476 CG LEU A 31 8.908 -4.546 -19.314 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.018 -4.059 -18.395 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.440 -3.423 -20.228 1.00 0.00 C ATOM 0 H LEU A 31 9.190 -5.483 -22.598 1.00 0.00 H new ATOM 0 HA LEU A 31 11.140 -4.634 -20.678 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.552 -6.083 -20.759 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.619 -6.559 -19.452 1.00 0.00 H new ATOM 0 HG LEU A 31 8.066 -4.862 -18.698 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.664 -3.205 -17.817 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.307 -4.862 -17.717 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.880 -3.760 -18.992 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.107 -2.578 -19.625 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.263 -3.109 -20.869 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.614 -3.776 -20.845 1.00 0.00 H new ATOM 490 N GLY A 32 11.653 -7.398 -22.124 1.00 0.00 N ATOM 491 CA GLY A 32 12.515 -8.563 -22.191 1.00 0.00 C ATOM 492 C GLY A 32 11.757 -9.858 -21.975 1.00 0.00 C ATOM 493 O GLY A 32 12.346 -10.939 -21.984 1.00 0.00 O ATOM 0 H GLY A 32 11.177 -7.167 -22.996 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.007 -8.592 -23.163 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.299 -8.475 -21.439 1.00 0.00 H new ATOM 497 N SER A 33 10.447 -9.749 -21.777 1.00 0.00 N ATOM 498 CA SER A 33 9.608 -10.920 -21.552 1.00 0.00 C ATOM 499 C SER A 33 9.565 -11.805 -22.794 1.00 0.00 C ATOM 500 O SER A 33 9.336 -11.326 -23.905 1.00 0.00 O ATOM 501 CB SER A 33 8.191 -10.492 -21.167 1.00 0.00 C ATOM 502 OG SER A 33 7.865 -10.925 -19.857 1.00 0.00 O ATOM 0 H SER A 33 9.944 -8.862 -21.768 1.00 0.00 H new ATOM 0 HA SER A 33 10.041 -11.495 -20.733 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.107 -9.407 -21.226 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.477 -10.906 -21.879 1.00 0.00 H new ATOM 0 HG SER A 33 6.900 -11.084 -19.796 1.00 0.00 H new ATOM 508 N THR A 34 9.786 -13.101 -22.597 1.00 0.00 N ATOM 509 CA THR A 34 9.774 -14.054 -23.700 1.00 0.00 C ATOM 510 C THR A 34 8.462 -14.830 -23.742 1.00 0.00 C ATOM 511 O THR A 34 8.387 -15.910 -24.328 1.00 0.00 O ATOM 512 CB THR A 34 10.943 -15.051 -23.594 1.00 0.00 C ATOM 513 OG1 THR A 34 10.979 -15.889 -24.755 1.00 0.00 O ATOM 514 CG2 THR A 34 10.809 -15.911 -22.346 1.00 0.00 C ATOM 0 H THR A 34 9.975 -13.515 -21.684 1.00 0.00 H new ATOM 0 HA THR A 34 9.881 -13.476 -24.618 1.00 0.00 H new ATOM 0 HB THR A 34 11.871 -14.483 -23.527 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.067 -16.159 -24.992 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.646 -16.607 -22.292 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.811 -15.273 -21.462 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.874 -16.470 -22.388 1.00 0.00 H new ATOM 522 N SER A 35 7.429 -14.271 -23.118 1.00 0.00 N ATOM 523 CA SER A 35 6.120 -14.912 -23.082 1.00 0.00 C ATOM 524 C SER A 35 5.029 -13.945 -23.531 1.00 0.00 C ATOM 525 O SER A 35 3.850 -14.145 -23.241 1.00 0.00 O ATOM 526 CB SER A 35 5.817 -15.422 -21.672 1.00 0.00 C ATOM 527 OG SER A 35 6.723 -16.444 -21.294 1.00 0.00 O ATOM 0 H SER A 35 7.474 -13.376 -22.631 1.00 0.00 H new ATOM 0 HA SER A 35 6.138 -15.757 -23.770 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.878 -14.597 -20.962 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.797 -15.803 -21.631 1.00 0.00 H new ATOM 0 HG SER A 35 6.509 -16.752 -20.388 1.00 0.00 H new ATOM 533 N ALA A 36 5.432 -12.896 -24.240 1.00 0.00 N ATOM 534 CA ALA A 36 4.490 -11.898 -24.731 1.00 0.00 C ATOM 535 C ALA A 36 3.356 -12.552 -25.514 1.00 0.00 C ATOM 536 O ALA A 36 2.256 -12.007 -25.603 1.00 0.00 O ATOM 537 CB ALA A 36 5.209 -10.873 -25.596 1.00 0.00 C ATOM 0 H ALA A 36 6.405 -12.715 -24.487 1.00 0.00 H new ATOM 0 HA ALA A 36 4.056 -11.390 -23.870 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.493 -10.134 -25.956 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.979 -10.375 -25.006 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.671 -11.374 -26.446 1.00 0.00 H new ATOM 543 N ASP A 37 3.632 -13.721 -26.080 1.00 0.00 N ATOM 544 CA ASP A 37 2.635 -14.450 -26.856 1.00 0.00 C ATOM 545 C ASP A 37 1.718 -15.256 -25.941 1.00 0.00 C ATOM 546 O ASP A 37 0.546 -15.464 -26.250 1.00 0.00 O ATOM 547 CB ASP A 37 3.319 -15.378 -27.861 1.00 0.00 C ATOM 548 CG ASP A 37 4.578 -14.771 -28.447 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.493 -13.660 -29.013 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.648 -15.405 -28.339 1.00 0.00 O ATOM 0 H ASP A 37 4.538 -14.185 -26.016 1.00 0.00 H new ATOM 0 HA ASP A 37 2.030 -13.724 -27.398 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.567 -16.319 -27.371 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.623 -15.612 -28.667 1.00 0.00 H new ATOM 555 N GLU A 38 2.262 -15.708 -24.816 1.00 0.00 N ATOM 556 CA GLU A 38 1.492 -16.494 -23.858 1.00 0.00 C ATOM 557 C GLU A 38 0.672 -15.587 -22.945 1.00 0.00 C ATOM 558 O GLU A 38 -0.399 -15.967 -22.474 1.00 0.00 O ATOM 559 CB GLU A 38 2.424 -17.372 -23.020 1.00 0.00 C ATOM 560 CG GLU A 38 1.689 -18.343 -22.110 1.00 0.00 C ATOM 561 CD GLU A 38 1.353 -19.650 -22.802 1.00 0.00 C ATOM 562 OE1 GLU A 38 2.194 -20.140 -23.584 1.00 0.00 O ATOM 563 OE2 GLU A 38 0.250 -20.182 -22.561 1.00 0.00 O ATOM 0 H GLU A 38 3.232 -15.544 -24.545 1.00 0.00 H new ATOM 0 HA GLU A 38 0.808 -17.133 -24.417 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.077 -17.935 -23.687 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.064 -16.732 -22.413 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.302 -18.548 -21.232 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.770 -17.877 -21.755 1.00 0.00 H new ATOM 570 N VAL A 39 1.185 -14.385 -22.699 1.00 0.00 N ATOM 571 CA VAL A 39 0.501 -13.423 -21.843 1.00 0.00 C ATOM 572 C VAL A 39 -0.716 -12.831 -22.545 1.00 0.00 C ATOM 573 O VAL A 39 -1.722 -12.521 -21.908 1.00 0.00 O ATOM 574 CB VAL A 39 1.442 -12.280 -21.420 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.839 -11.440 -22.624 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.787 -11.419 -20.351 1.00 0.00 C ATOM 0 H VAL A 39 2.072 -14.055 -23.080 1.00 0.00 H new ATOM 0 HA VAL A 39 0.177 -13.964 -20.954 1.00 0.00 H new ATOM 0 HB VAL A 39 2.348 -12.716 -20.998 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.504 -10.638 -22.305 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.352 -12.068 -23.353 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.946 -11.012 -23.079 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.466 -10.616 -20.064 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.136 -10.991 -20.743 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.560 -12.032 -19.479 1.00 0.00 H new ATOM 586 N GLN A 40 -0.616 -12.677 -23.862 1.00 0.00 N ATOM 587 CA GLN A 40 -1.709 -12.121 -24.650 1.00 0.00 C ATOM 588 C GLN A 40 -2.980 -12.947 -24.478 1.00 0.00 C ATOM 589 O GLN A 40 -4.081 -12.402 -24.406 1.00 0.00 O ATOM 590 CB GLN A 40 -1.321 -12.063 -26.129 1.00 0.00 C ATOM 591 CG GLN A 40 -2.507 -12.171 -27.073 1.00 0.00 C ATOM 592 CD GLN A 40 -2.094 -12.165 -28.532 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.046 -12.914 -28.854 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.710 -11.493 -29.360 1.00 0.00 N flip ATOM 0 H GLN A 40 0.210 -12.929 -24.405 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.904 -11.110 -24.292 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.797 -11.127 -26.322 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.621 -12.870 -26.344 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.055 -13.088 -26.858 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.190 -11.341 -26.889 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.510 -10.932 -29.068 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.420 -11.498 -30.338 1.00 0.00 H new ATOM 603 N ARG A 41 -2.819 -14.264 -24.412 1.00 0.00 N ATOM 604 CA ARG A 41 -3.953 -15.166 -24.250 1.00 0.00 C ATOM 605 C ARG A 41 -4.344 -15.288 -22.780 1.00 0.00 C ATOM 606 O ARG A 41 -5.464 -15.680 -22.456 1.00 0.00 O ATOM 607 CB ARG A 41 -3.620 -16.547 -24.817 1.00 0.00 C ATOM 608 CG ARG A 41 -2.362 -17.161 -24.225 1.00 0.00 C ATOM 609 CD ARG A 41 -2.049 -18.508 -24.858 1.00 0.00 C ATOM 610 NE ARG A 41 -2.848 -19.584 -24.277 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.872 -20.822 -24.757 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.145 -21.140 -25.819 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.624 -21.747 -24.173 1.00 0.00 N ATOM 0 H ARG A 41 -1.914 -14.731 -24.468 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.797 -14.750 -24.800 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.461 -17.217 -24.637 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.502 -16.468 -25.898 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.521 -16.484 -24.373 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.487 -17.283 -23.149 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.235 -18.457 -25.931 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.990 -18.732 -24.729 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.418 -19.373 -23.458 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.565 -20.433 -26.270 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.166 -22.092 -26.185 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.184 -21.507 -23.355 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.642 -22.698 -24.542 1.00 0.00 H new ATOM 627 N MET A 42 -3.411 -14.951 -21.895 1.00 0.00 N ATOM 628 CA MET A 42 -3.658 -15.023 -20.459 1.00 0.00 C ATOM 629 C MET A 42 -4.453 -13.811 -19.983 1.00 0.00 C ATOM 630 O MET A 42 -5.440 -13.949 -19.262 1.00 0.00 O ATOM 631 CB MET A 42 -2.336 -15.113 -19.696 1.00 0.00 C ATOM 632 CG MET A 42 -1.609 -16.433 -19.892 1.00 0.00 C ATOM 633 SD MET A 42 -2.143 -17.700 -18.725 1.00 0.00 S ATOM 634 CE MET A 42 -2.091 -19.159 -19.762 1.00 0.00 C ATOM 0 H MET A 42 -2.478 -14.626 -22.147 1.00 0.00 H new ATOM 0 HA MET A 42 -4.244 -15.920 -20.261 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.686 -14.299 -20.015 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.529 -14.968 -18.633 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.776 -16.788 -20.909 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.536 -16.272 -19.782 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.396 -20.029 -19.181 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.769 -19.030 -20.606 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.076 -19.307 -20.131 1.00 0.00 H new ATOM 644 N MET A 43 -4.015 -12.625 -20.391 1.00 0.00 N ATOM 645 CA MET A 43 -4.686 -11.389 -20.006 1.00 0.00 C ATOM 646 C MET A 43 -6.165 -11.435 -20.377 1.00 0.00 C ATOM 647 O MET A 43 -6.988 -10.750 -19.771 1.00 0.00 O ATOM 648 CB MET A 43 -4.017 -10.189 -20.679 1.00 0.00 C ATOM 649 CG MET A 43 -3.821 -10.362 -22.176 1.00 0.00 C ATOM 650 SD MET A 43 -4.850 -9.244 -23.146 1.00 0.00 S ATOM 651 CE MET A 43 -4.119 -9.434 -24.770 1.00 0.00 C ATOM 0 H MET A 43 -3.199 -12.493 -20.988 1.00 0.00 H new ATOM 0 HA MET A 43 -4.604 -11.282 -18.924 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.621 -9.300 -20.501 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.048 -10.015 -20.212 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.773 -10.191 -22.423 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.050 -11.391 -22.452 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.202 -8.496 -25.318 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.068 -9.702 -24.667 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.642 -10.220 -25.315 1.00 0.00 H new ATOM 661 N ALA A 44 -6.494 -12.247 -21.377 1.00 0.00 N ATOM 662 CA ALA A 44 -7.874 -12.383 -21.827 1.00 0.00 C ATOM 663 C ALA A 44 -8.736 -13.050 -20.761 1.00 0.00 C ATOM 664 O ALA A 44 -9.959 -12.912 -20.763 1.00 0.00 O ATOM 665 CB ALA A 44 -7.929 -13.175 -23.125 1.00 0.00 C ATOM 0 H ALA A 44 -5.824 -12.820 -21.890 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.272 -11.384 -22.006 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.965 -13.269 -23.450 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.354 -12.657 -23.892 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.508 -14.167 -22.964 1.00 0.00 H new ATOM 671 N GLU A 45 -8.090 -13.775 -19.853 1.00 0.00 N ATOM 672 CA GLU A 45 -8.800 -14.465 -18.782 1.00 0.00 C ATOM 673 C GLU A 45 -9.326 -13.472 -17.750 1.00 0.00 C ATOM 674 O GLU A 45 -10.490 -13.532 -17.352 1.00 0.00 O ATOM 675 CB GLU A 45 -7.880 -15.483 -18.103 1.00 0.00 C ATOM 676 CG GLU A 45 -7.244 -16.467 -19.070 1.00 0.00 C ATOM 677 CD GLU A 45 -6.186 -17.331 -18.411 1.00 0.00 C ATOM 678 OE1 GLU A 45 -5.070 -16.822 -18.173 1.00 0.00 O ATOM 679 OE2 GLU A 45 -6.473 -18.514 -18.134 1.00 0.00 O ATOM 0 H GLU A 45 -7.078 -13.900 -19.838 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.648 -14.989 -19.222 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.093 -14.950 -17.570 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.451 -16.036 -17.358 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.018 -17.107 -19.493 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.796 -15.918 -19.898 1.00 0.00 H new ATOM 686 N ILE A 46 -8.460 -12.560 -17.320 1.00 0.00 N ATOM 687 CA ILE A 46 -8.838 -11.553 -16.335 1.00 0.00 C ATOM 688 C ILE A 46 -9.862 -10.580 -16.908 1.00 0.00 C ATOM 689 O ILE A 46 -10.707 -10.056 -16.185 1.00 0.00 O ATOM 690 CB ILE A 46 -7.612 -10.761 -15.843 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.857 -10.158 -17.029 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.695 -11.658 -15.024 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.770 -9.187 -16.623 1.00 0.00 C ATOM 0 H ILE A 46 -7.493 -12.498 -17.638 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.279 -12.085 -15.492 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.956 -9.947 -15.205 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.413 -10.963 -17.614 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.567 -9.646 -17.678 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.833 -11.084 -14.684 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.238 -12.043 -14.161 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.356 -12.491 -15.640 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.277 -8.799 -17.514 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.210 -8.362 -16.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.039 -9.700 -15.998 1.00 0.00 H new ATOM 705 N ASP A 47 -9.781 -10.345 -18.214 1.00 0.00 N ATOM 706 CA ASP A 47 -10.702 -9.435 -18.885 1.00 0.00 C ATOM 707 C ASP A 47 -12.058 -10.098 -19.105 1.00 0.00 C ATOM 708 O ASP A 47 -12.188 -11.022 -19.909 1.00 0.00 O ATOM 709 CB ASP A 47 -10.119 -8.984 -20.226 1.00 0.00 C ATOM 710 CG ASP A 47 -10.864 -7.801 -20.810 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.587 -7.078 -19.962 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.790 -7.538 -22.010 1.00 0.00 O ATOM 0 H ASP A 47 -9.087 -10.772 -18.828 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.843 -8.564 -18.246 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.070 -8.720 -20.093 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.151 -9.815 -20.931 1.00 0.00 H new ATOM 717 N THR A 48 -13.068 -9.621 -18.384 1.00 0.00 N ATOM 718 CA THR A 48 -14.414 -10.167 -18.499 1.00 0.00 C ATOM 719 C THR A 48 -15.260 -9.346 -19.466 1.00 0.00 C ATOM 720 O THR A 48 -16.302 -9.803 -19.936 1.00 0.00 O ATOM 721 CB THR A 48 -15.120 -10.214 -17.131 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.310 -11.007 -17.220 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.473 -8.813 -16.655 1.00 0.00 C ATOM 0 H THR A 48 -12.979 -8.857 -17.714 1.00 0.00 H new ATOM 0 HA THR A 48 -14.311 -11.182 -18.882 1.00 0.00 H new ATOM 0 HB THR A 48 -14.437 -10.664 -16.410 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.633 -11.010 -18.145 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.971 -8.872 -15.687 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.563 -8.221 -16.559 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.139 -8.340 -17.377 1.00 0.00 H new ATOM 731 N ASP A 49 -14.804 -8.133 -19.760 1.00 0.00 N ATOM 732 CA ASP A 49 -15.519 -7.249 -20.674 1.00 0.00 C ATOM 733 C ASP A 49 -14.886 -7.275 -22.062 1.00 0.00 C ATOM 734 O ASP A 49 -15.331 -6.576 -22.971 1.00 0.00 O ATOM 735 CB ASP A 49 -15.528 -5.819 -20.131 1.00 0.00 C ATOM 736 CG ASP A 49 -14.931 -5.725 -18.740 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.677 -5.926 -17.760 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.718 -5.447 -18.632 1.00 0.00 O ATOM 0 H ASP A 49 -13.943 -7.740 -19.379 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.546 -7.605 -20.756 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.969 -5.173 -20.808 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.553 -5.448 -20.110 1.00 0.00 H new ATOM 743 N GLY A 50 -13.844 -8.086 -22.216 1.00 0.00 N ATOM 744 CA GLY A 50 -13.166 -8.188 -23.496 1.00 0.00 C ATOM 745 C GLY A 50 -12.845 -6.831 -24.091 1.00 0.00 C ATOM 746 O GLY A 50 -12.868 -6.659 -25.309 1.00 0.00 O ATOM 0 H GLY A 50 -13.457 -8.674 -21.478 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.243 -8.754 -23.371 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.791 -8.748 -24.192 1.00 0.00 H new ATOM 750 N ASP A 51 -12.548 -5.864 -23.229 1.00 0.00 N ATOM 751 CA ASP A 51 -12.222 -4.515 -23.676 1.00 0.00 C ATOM 752 C ASP A 51 -10.725 -4.247 -23.549 1.00 0.00 C ATOM 753 O ASP A 51 -9.995 -5.026 -22.937 1.00 0.00 O ATOM 754 CB ASP A 51 -13.008 -3.483 -22.867 1.00 0.00 C ATOM 755 CG ASP A 51 -12.448 -3.293 -21.471 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.164 -4.308 -20.802 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.294 -2.128 -21.048 1.00 0.00 O ATOM 0 H ASP A 51 -12.526 -5.990 -22.217 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.500 -4.430 -24.726 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.997 -2.528 -23.393 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.050 -3.797 -22.798 1.00 0.00 H new ATOM 762 N GLY A 52 -10.276 -3.140 -24.132 1.00 0.00 N ATOM 763 CA GLY A 52 -8.868 -2.790 -24.073 1.00 0.00 C ATOM 764 C GLY A 52 -8.506 -2.058 -22.796 1.00 0.00 C ATOM 765 O GLY A 52 -7.852 -1.015 -22.834 1.00 0.00 O ATOM 0 H GLY A 52 -10.861 -2.480 -24.644 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.268 -3.696 -24.151 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.616 -2.166 -24.930 1.00 0.00 H new ATOM 769 N PHE A 53 -8.934 -2.602 -21.662 1.00 0.00 N ATOM 770 CA PHE A 53 -8.653 -1.993 -20.367 1.00 0.00 C ATOM 771 C PHE A 53 -8.940 -2.971 -19.232 1.00 0.00 C ATOM 772 O PHE A 53 -9.835 -3.810 -19.333 1.00 0.00 O ATOM 773 CB PHE A 53 -9.488 -0.724 -20.186 1.00 0.00 C ATOM 774 CG PHE A 53 -8.851 0.503 -20.773 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.675 1.010 -20.242 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.426 1.148 -21.855 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.087 2.139 -20.780 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.842 2.277 -22.398 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.670 2.773 -21.860 1.00 0.00 C ATOM 0 H PHE A 53 -9.477 -3.464 -21.613 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.595 -1.731 -20.338 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.464 -0.873 -20.647 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.660 -0.561 -19.122 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.213 0.517 -19.399 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.342 0.764 -22.280 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.172 2.526 -20.356 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.301 2.771 -23.242 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.211 3.654 -22.283 1.00 0.00 H new ATOM 789 N ILE A 54 -8.173 -2.856 -18.153 1.00 0.00 N ATOM 790 CA ILE A 54 -8.345 -3.729 -16.998 1.00 0.00 C ATOM 791 C ILE A 54 -8.212 -2.949 -15.695 1.00 0.00 C ATOM 792 O ILE A 54 -7.315 -2.119 -15.544 1.00 0.00 O ATOM 793 CB ILE A 54 -7.318 -4.877 -17.003 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.907 -4.328 -17.222 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.669 -5.896 -18.077 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.814 -5.302 -16.843 1.00 0.00 C ATOM 0 H ILE A 54 -7.427 -2.167 -18.054 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.348 -4.149 -17.066 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.347 -5.375 -16.034 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.791 -4.054 -18.271 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.787 -3.415 -16.639 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.934 -6.701 -18.069 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.659 -6.306 -17.880 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.665 -5.412 -19.053 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.841 -4.846 -17.025 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.904 -5.557 -15.787 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.908 -6.207 -17.444 1.00 0.00 H new ATOM 808 N ASP A 55 -9.109 -3.223 -14.754 1.00 0.00 N ATOM 809 CA ASP A 55 -9.091 -2.549 -13.461 1.00 0.00 C ATOM 810 C ASP A 55 -8.186 -3.285 -12.477 1.00 0.00 C ATOM 811 O ASP A 55 -7.658 -4.354 -12.784 1.00 0.00 O ATOM 812 CB ASP A 55 -10.507 -2.450 -12.893 1.00 0.00 C ATOM 813 CG ASP A 55 -11.555 -2.285 -13.977 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.835 -3.273 -14.688 1.00 0.00 O ATOM 815 OD2 ASP A 55 -12.095 -1.167 -14.114 1.00 0.00 O ATOM 0 H ASP A 55 -9.858 -3.907 -14.862 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.696 -1.544 -13.609 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.726 -3.346 -12.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.562 -1.605 -12.207 1.00 0.00 H new ATOM 820 N PHE A 56 -8.011 -2.705 -11.294 1.00 0.00 N ATOM 821 CA PHE A 56 -7.168 -3.305 -10.266 1.00 0.00 C ATOM 822 C PHE A 56 -7.530 -4.772 -10.054 1.00 0.00 C ATOM 823 O PHE A 56 -6.654 -5.625 -9.921 1.00 0.00 O ATOM 824 CB PHE A 56 -7.310 -2.538 -8.950 1.00 0.00 C ATOM 825 CG PHE A 56 -6.072 -2.572 -8.100 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.846 -2.191 -8.623 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.133 -2.986 -6.779 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.705 -2.220 -7.844 1.00 0.00 C ATOM 829 CE2 PHE A 56 -4.995 -3.017 -5.995 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.779 -2.635 -6.529 1.00 0.00 C ATOM 0 H PHE A 56 -8.441 -1.821 -11.024 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.132 -3.249 -10.602 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.562 -1.500 -9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.142 -2.956 -8.383 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.782 -1.868 -9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.080 -3.288 -6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.756 -1.918 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.056 -3.339 -4.966 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.888 -2.661 -5.919 1.00 0.00 H new ATOM 840 N ASN A 57 -8.828 -5.057 -10.024 1.00 0.00 N ATOM 841 CA ASN A 57 -9.306 -6.421 -9.827 1.00 0.00 C ATOM 842 C ASN A 57 -8.922 -7.308 -11.008 1.00 0.00 C ATOM 843 O ASN A 57 -8.537 -8.463 -10.829 1.00 0.00 O ATOM 844 CB ASN A 57 -10.825 -6.429 -9.642 1.00 0.00 C ATOM 845 CG ASN A 57 -11.246 -7.100 -8.349 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.197 -7.882 -8.323 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.539 -6.796 -7.267 1.00 0.00 N ATOM 0 H ASN A 57 -9.567 -4.362 -10.133 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.835 -6.819 -8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.195 -5.404 -9.653 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.288 -6.945 -10.483 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.776 -7.216 -6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.759 -6.143 -7.335 1.00 0.00 H new ATOM 854 N GLU A 58 -9.030 -6.759 -12.213 1.00 0.00 N ATOM 855 CA GLU A 58 -8.694 -7.501 -13.423 1.00 0.00 C ATOM 856 C GLU A 58 -7.202 -7.818 -13.470 1.00 0.00 C ATOM 857 O GLU A 58 -6.806 -8.980 -13.565 1.00 0.00 O ATOM 858 CB GLU A 58 -9.096 -6.703 -14.665 1.00 0.00 C ATOM 859 CG GLU A 58 -10.589 -6.730 -14.949 1.00 0.00 C ATOM 860 CD GLU A 58 -10.932 -6.180 -16.319 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.325 -6.637 -17.310 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.808 -5.293 -16.401 1.00 0.00 O ATOM 0 H GLU A 58 -9.347 -5.804 -12.378 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.247 -8.440 -13.408 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.777 -5.668 -14.541 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.563 -7.099 -15.529 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.951 -7.755 -14.872 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.110 -6.150 -14.188 1.00 0.00 H new ATOM 869 N PHE A 59 -6.379 -6.776 -13.403 1.00 0.00 N ATOM 870 CA PHE A 59 -4.931 -6.943 -13.440 1.00 0.00 C ATOM 871 C PHE A 59 -4.462 -7.874 -12.326 1.00 0.00 C ATOM 872 O PHE A 59 -3.568 -8.697 -12.525 1.00 0.00 O ATOM 873 CB PHE A 59 -4.237 -5.585 -13.310 1.00 0.00 C ATOM 874 CG PHE A 59 -2.785 -5.615 -13.695 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.376 -6.245 -14.858 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.830 -5.013 -12.892 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.041 -6.274 -15.215 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.494 -5.038 -13.244 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.099 -5.671 -14.406 1.00 0.00 C ATOM 0 H PHE A 59 -6.690 -5.808 -13.323 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.666 -7.390 -14.398 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.756 -4.859 -13.936 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.325 -5.238 -12.280 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.109 -6.719 -15.494 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.133 -4.519 -11.981 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.735 -6.768 -16.126 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.241 -4.563 -12.611 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.945 -5.694 -14.681 1.00 0.00 H new ATOM 889 N ILE A 60 -5.072 -7.738 -11.153 1.00 0.00 N ATOM 890 CA ILE A 60 -4.718 -8.567 -10.008 1.00 0.00 C ATOM 891 C ILE A 60 -5.060 -10.031 -10.262 1.00 0.00 C ATOM 892 O ILE A 60 -4.250 -10.922 -10.006 1.00 0.00 O ATOM 893 CB ILE A 60 -5.439 -8.099 -8.729 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.740 -6.869 -8.146 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.487 -9.223 -7.706 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.448 -7.192 -7.428 1.00 0.00 C ATOM 0 H ILE A 60 -5.813 -7.062 -10.971 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.642 -8.466 -9.867 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.462 -7.825 -8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.533 -6.164 -8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.417 -6.371 -7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.999 -8.876 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.024 -10.074 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.472 -9.526 -7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.007 -6.273 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.651 -7.873 -6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.753 -7.662 -8.124 1.00 0.00 H new ATOM 908 N SER A 61 -6.265 -10.273 -10.770 1.00 0.00 N ATOM 909 CA SER A 61 -6.715 -11.629 -11.058 1.00 0.00 C ATOM 910 C SER A 61 -5.653 -12.401 -11.836 1.00 0.00 C ATOM 911 O SER A 61 -5.565 -13.625 -11.743 1.00 0.00 O ATOM 912 CB SER A 61 -8.022 -11.598 -11.852 1.00 0.00 C ATOM 913 OG SER A 61 -9.141 -11.486 -10.990 1.00 0.00 O ATOM 0 H SER A 61 -6.947 -9.547 -10.990 1.00 0.00 H new ATOM 0 HA SER A 61 -6.886 -12.137 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.009 -10.758 -12.547 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.109 -12.505 -12.450 1.00 0.00 H new ATOM 0 HG SER A 61 -9.251 -10.552 -10.716 1.00 0.00 H new ATOM 919 N PHE A 62 -4.846 -11.675 -12.603 1.00 0.00 N ATOM 920 CA PHE A 62 -3.790 -12.289 -13.398 1.00 0.00 C ATOM 921 C PHE A 62 -2.729 -12.919 -12.500 1.00 0.00 C ATOM 922 O PHE A 62 -2.276 -14.038 -12.746 1.00 0.00 O ATOM 923 CB PHE A 62 -3.144 -11.250 -14.317 1.00 0.00 C ATOM 924 CG PHE A 62 -2.456 -11.850 -15.510 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.474 -12.814 -15.347 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.792 -11.451 -16.794 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.838 -13.367 -16.443 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.160 -12.001 -17.893 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.183 -12.961 -17.718 1.00 0.00 C ATOM 0 H PHE A 62 -4.904 -10.660 -12.690 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.239 -13.074 -14.007 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.910 -10.555 -14.661 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.421 -10.670 -13.744 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.202 -13.137 -14.353 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.556 -10.702 -16.937 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.072 -14.116 -16.303 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.430 -11.680 -18.888 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.690 -13.394 -18.576 1.00 0.00 H new ATOM 939 N CYS A 63 -2.337 -12.193 -11.459 1.00 0.00 N ATOM 940 CA CYS A 63 -1.329 -12.678 -10.524 1.00 0.00 C ATOM 941 C CYS A 63 -1.915 -13.735 -9.593 1.00 0.00 C ATOM 942 O CYS A 63 -1.295 -14.768 -9.342 1.00 0.00 O ATOM 943 CB CYS A 63 -0.761 -11.518 -9.705 1.00 0.00 C ATOM 944 SG CYS A 63 0.434 -12.019 -8.445 1.00 0.00 S ATOM 0 H CYS A 63 -2.702 -11.266 -11.241 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.524 -13.133 -11.101 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.284 -10.809 -10.382 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.584 -10.992 -9.221 1.00 0.00 H new ATOM 0 HG CYS A 63 0.858 -10.969 -7.807 1.00 0.00 H new ATOM 950 N ASN A 64 -3.112 -13.468 -9.082 1.00 0.00 N ATOM 951 CA ASN A 64 -3.781 -14.394 -8.177 1.00 0.00 C ATOM 952 C ASN A 64 -3.949 -15.765 -8.826 1.00 0.00 C ATOM 953 O ASN A 64 -4.074 -16.778 -8.139 1.00 0.00 O ATOM 954 CB ASN A 64 -5.148 -13.842 -7.766 1.00 0.00 C ATOM 955 CG ASN A 64 -5.147 -13.288 -6.354 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.637 -13.930 -5.424 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.597 -12.091 -6.188 1.00 0.00 N ATOM 0 H ASN A 64 -3.639 -12.617 -9.280 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.159 -14.506 -7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.444 -13.056 -8.461 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.894 -14.633 -7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.568 -11.667 -5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.203 -11.595 -6.988 1.00 0.00 H new ATOM 964 N ALA A 65 -3.948 -15.787 -10.155 1.00 0.00 N ATOM 965 CA ALA A 65 -4.097 -17.033 -10.898 1.00 0.00 C ATOM 966 C ALA A 65 -2.766 -17.768 -11.008 1.00 0.00 C ATOM 967 O ALA A 65 -2.729 -18.967 -11.284 1.00 0.00 O ATOM 968 CB ALA A 65 -4.667 -16.757 -12.281 1.00 0.00 C ATOM 0 H ALA A 65 -3.846 -14.957 -10.739 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.791 -17.673 -10.353 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.773 -17.696 -12.825 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.643 -16.282 -12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.994 -16.096 -12.827 1.00 0.00 H new ATOM 974 N ASN A 66 -1.674 -17.042 -10.792 1.00 0.00 N ATOM 975 CA ASN A 66 -0.340 -17.626 -10.869 1.00 0.00 C ATOM 976 C ASN A 66 -0.182 -18.457 -12.139 1.00 0.00 C ATOM 977 O ASN A 66 0.170 -19.636 -12.100 1.00 0.00 O ATOM 978 CB ASN A 66 -0.070 -18.497 -9.640 1.00 0.00 C ATOM 979 CG ASN A 66 0.357 -17.681 -8.435 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.548 -17.536 -8.161 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.617 -17.144 -7.709 1.00 0.00 N ATOM 0 H ASN A 66 -1.687 -16.048 -10.562 1.00 0.00 H new ATOM 0 HA ASN A 66 0.384 -16.812 -10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.970 -19.061 -9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.707 -19.224 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.391 -16.585 -6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.591 -17.291 -7.974 1.00 0.00 H new ATOM 988 N PRO A 67 -0.448 -17.828 -13.293 1.00 0.00 N ATOM 989 CA PRO A 67 -0.341 -18.489 -14.598 1.00 0.00 C ATOM 990 C PRO A 67 1.105 -18.787 -14.979 1.00 0.00 C ATOM 991 O PRO A 67 1.380 -19.736 -15.713 1.00 0.00 O ATOM 992 CB PRO A 67 -0.949 -17.469 -15.563 1.00 0.00 C ATOM 993 CG PRO A 67 -0.764 -16.153 -14.890 1.00 0.00 C ATOM 994 CD PRO A 67 -0.872 -16.423 -13.415 1.00 0.00 C ATOM 0 HA PRO A 67 -0.843 -19.457 -14.608 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.448 -17.492 -16.531 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.004 -17.676 -15.745 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.206 -15.721 -15.138 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.522 -15.440 -15.213 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.230 -15.758 -12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.890 -16.278 -13.053 1.00 0.00 H new ATOM 1002 N GLY A 68 2.026 -17.970 -14.477 1.00 0.00 N ATOM 1003 CA GLY A 68 3.433 -18.164 -14.777 1.00 0.00 C ATOM 1004 C GLY A 68 3.998 -17.059 -15.646 1.00 0.00 C ATOM 1005 O GLY A 68 5.127 -17.155 -16.129 1.00 0.00 O ATOM 0 H GLY A 68 1.823 -17.177 -13.868 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.997 -18.213 -13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.565 -19.122 -15.281 1.00 0.00 H new ATOM 1009 N LEU A 69 3.212 -16.008 -15.850 1.00 0.00 N ATOM 1010 CA LEU A 69 3.639 -14.879 -16.669 1.00 0.00 C ATOM 1011 C LEU A 69 4.069 -13.704 -15.797 1.00 0.00 C ATOM 1012 O LEU A 69 5.216 -13.263 -15.854 1.00 0.00 O ATOM 1013 CB LEU A 69 2.510 -14.447 -17.606 1.00 0.00 C ATOM 1014 CG LEU A 69 2.008 -15.509 -18.586 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.148 -16.013 -19.457 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.357 -16.661 -17.836 1.00 0.00 C ATOM 0 H LEU A 69 2.275 -15.914 -15.459 1.00 0.00 H new ATOM 0 HA LEU A 69 4.495 -15.198 -17.264 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.668 -14.115 -16.999 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.850 -13.584 -18.179 1.00 0.00 H new ATOM 0 HG LEU A 69 1.258 -15.054 -19.233 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.772 -16.768 -20.148 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.569 -15.182 -20.022 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.921 -16.452 -18.826 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.006 -17.407 -18.549 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.085 -17.116 -17.164 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.513 -16.287 -17.257 1.00 0.00 H new ATOM 1028 N MET A 70 3.141 -13.204 -14.988 1.00 0.00 N ATOM 1029 CA MET A 70 3.425 -12.083 -14.100 1.00 0.00 C ATOM 1030 C MET A 70 4.655 -12.365 -13.244 1.00 0.00 C ATOM 1031 O MET A 70 5.378 -11.448 -12.854 1.00 0.00 O ATOM 1032 CB MET A 70 2.220 -11.796 -13.203 1.00 0.00 C ATOM 1033 CG MET A 70 0.984 -11.352 -13.969 1.00 0.00 C ATOM 1034 SD MET A 70 0.683 -9.579 -13.834 1.00 0.00 S ATOM 1035 CE MET A 70 1.448 -8.989 -15.342 1.00 0.00 C ATOM 0 H MET A 70 2.186 -13.557 -14.929 1.00 0.00 H new ATOM 0 HA MET A 70 3.626 -11.207 -14.716 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.981 -12.693 -12.632 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.489 -11.022 -12.484 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.097 -11.618 -15.020 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.115 -11.894 -13.595 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.423 -7.899 -15.361 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.483 -9.329 -15.382 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.904 -9.379 -16.202 1.00 0.00 H new ATOM 1045 N LYS A 71 4.888 -13.641 -12.954 1.00 0.00 N ATOM 1046 CA LYS A 71 6.031 -14.045 -12.144 1.00 0.00 C ATOM 1047 C LYS A 71 7.304 -13.348 -12.613 1.00 0.00 C ATOM 1048 O LYS A 71 8.082 -12.845 -11.802 1.00 0.00 O ATOM 1049 CB LYS A 71 6.216 -15.563 -12.207 1.00 0.00 C ATOM 1050 CG LYS A 71 5.091 -16.341 -11.547 1.00 0.00 C ATOM 1051 CD LYS A 71 5.618 -17.543 -10.781 1.00 0.00 C ATOM 1052 CE LYS A 71 5.328 -18.843 -11.516 1.00 0.00 C ATOM 1053 NZ LYS A 71 5.375 -20.018 -10.603 1.00 0.00 N ATOM 0 H LYS A 71 4.300 -14.413 -13.268 1.00 0.00 H new ATOM 0 HA LYS A 71 5.835 -13.751 -11.113 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.294 -15.868 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.159 -15.826 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.545 -15.687 -10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.384 -16.674 -12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.693 -17.439 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.162 -17.574 -9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.345 -18.785 -11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.054 -18.977 -12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.172 -20.884 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.321 -20.089 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.665 -19.903 -9.852 1.00 0.00 H new ATOM 1067 N ASP A 72 7.509 -13.321 -13.925 1.00 0.00 N ATOM 1068 CA ASP A 72 8.687 -12.683 -14.502 1.00 0.00 C ATOM 1069 C ASP A 72 8.453 -11.188 -14.700 1.00 0.00 C ATOM 1070 O ASP A 72 9.394 -10.394 -14.682 1.00 0.00 O ATOM 1071 CB ASP A 72 9.045 -13.337 -15.837 1.00 0.00 C ATOM 1072 CG ASP A 72 9.612 -14.732 -15.665 1.00 0.00 C ATOM 1073 OD1 ASP A 72 9.954 -15.097 -14.520 1.00 0.00 O ATOM 1074 OD2 ASP A 72 9.713 -15.460 -16.674 1.00 0.00 O ATOM 0 H ASP A 72 6.875 -13.733 -14.609 1.00 0.00 H new ATOM 0 HA ASP A 72 9.517 -12.814 -13.808 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.155 -13.385 -16.465 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.771 -12.715 -16.360 1.00 0.00 H new ATOM 1079 N VAL A 73 7.192 -10.812 -14.889 1.00 0.00 N ATOM 1080 CA VAL A 73 6.834 -9.413 -15.091 1.00 0.00 C ATOM 1081 C VAL A 73 7.093 -8.593 -13.832 1.00 0.00 C ATOM 1082 O VAL A 73 7.884 -7.650 -13.845 1.00 0.00 O ATOM 1083 CB VAL A 73 5.355 -9.264 -15.492 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.031 -7.813 -15.814 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.030 -10.166 -16.673 1.00 0.00 C ATOM 0 H VAL A 73 6.402 -11.456 -14.906 1.00 0.00 H new ATOM 0 HA VAL A 73 7.461 -9.039 -15.901 1.00 0.00 H new ATOM 0 HB VAL A 73 4.736 -9.570 -14.649 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.981 -7.728 -16.095 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.223 -7.194 -14.937 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.656 -7.475 -16.640 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.981 -10.048 -16.943 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.656 -9.893 -17.522 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.220 -11.204 -16.401 1.00 0.00 H new ATOM 1095 N ALA A 74 6.421 -8.959 -12.745 1.00 0.00 N ATOM 1096 CA ALA A 74 6.580 -8.259 -11.477 1.00 0.00 C ATOM 1097 C ALA A 74 8.035 -8.277 -11.018 1.00 0.00 C ATOM 1098 O ALA A 74 8.451 -7.452 -10.205 1.00 0.00 O ATOM 1099 CB ALA A 74 5.683 -8.878 -10.416 1.00 0.00 C ATOM 0 H ALA A 74 5.761 -9.736 -12.718 1.00 0.00 H new ATOM 0 HA ALA A 74 6.286 -7.220 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.812 -8.345 -9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.642 -8.808 -10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.951 -9.926 -10.280 1.00 0.00 H new ATOM 1105 N LYS A 75 8.804 -9.224 -11.544 1.00 0.00 N ATOM 1106 CA LYS A 75 10.213 -9.350 -11.190 1.00 0.00 C ATOM 1107 C LYS A 75 10.999 -8.123 -11.639 1.00 0.00 C ATOM 1108 O LYS A 75 11.968 -7.723 -10.992 1.00 0.00 O ATOM 1109 CB LYS A 75 10.808 -10.610 -11.823 1.00 0.00 C ATOM 1110 CG LYS A 75 11.777 -10.321 -12.957 1.00 0.00 C ATOM 1111 CD LYS A 75 12.169 -11.592 -13.692 1.00 0.00 C ATOM 1112 CE LYS A 75 12.784 -12.614 -12.749 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.002 -13.243 -13.330 1.00 0.00 N ATOM 0 H LYS A 75 8.475 -9.916 -12.217 1.00 0.00 H new ATOM 0 HA LYS A 75 10.284 -9.427 -10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.323 -11.185 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.998 -11.235 -12.199 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.321 -9.621 -13.657 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.670 -9.839 -12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.290 -12.022 -14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.879 -11.352 -14.483 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.040 -12.130 -11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.049 -13.387 -12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.391 -13.933 -12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.754 -13.726 -14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.713 -12.509 -13.523 1.00 0.00 H new ATOM 1127 N VAL A 76 10.575 -7.527 -12.749 1.00 0.00 N ATOM 1128 CA VAL A 76 11.238 -6.343 -13.283 1.00 0.00 C ATOM 1129 C VAL A 76 10.836 -5.093 -12.509 1.00 0.00 C ATOM 1130 O VAL A 76 11.501 -4.060 -12.589 1.00 0.00 O ATOM 1131 CB VAL A 76 10.909 -6.139 -14.773 1.00 0.00 C ATOM 1132 CG1 VAL A 76 11.895 -5.172 -15.411 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.908 -7.473 -15.506 1.00 0.00 C ATOM 0 H VAL A 76 9.775 -7.845 -13.296 1.00 0.00 H new ATOM 0 HA VAL A 76 12.310 -6.505 -13.175 1.00 0.00 H new ATOM 0 HB VAL A 76 9.911 -5.707 -14.851 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.646 -5.041 -16.464 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.841 -4.209 -14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.905 -5.572 -15.324 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.674 -7.310 -16.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.891 -7.936 -15.421 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.158 -8.130 -15.065 1.00 0.00 H new ATOM 1143 N PHE A 77 9.744 -5.194 -11.758 1.00 0.00 N ATOM 1144 CA PHE A 77 9.252 -4.070 -10.969 1.00 0.00 C ATOM 1145 C PHE A 77 9.318 -4.383 -9.478 1.00 0.00 C ATOM 1146 O PHE A 77 8.296 -4.411 -8.794 1.00 0.00 O ATOM 1147 CB PHE A 77 7.815 -3.731 -11.368 1.00 0.00 C ATOM 1148 CG PHE A 77 7.648 -3.454 -12.835 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.126 -2.278 -13.390 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.014 -4.370 -13.658 1.00 0.00 C ATOM 1151 CE1 PHE A 77 7.975 -2.020 -14.739 1.00 0.00 C ATOM 1152 CE2 PHE A 77 6.860 -4.118 -15.008 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.340 -2.942 -15.549 1.00 0.00 C ATOM 0 H PHE A 77 9.183 -6.042 -11.679 1.00 0.00 H new ATOM 0 HA PHE A 77 9.890 -3.209 -11.170 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.164 -4.558 -11.087 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.486 -2.859 -10.802 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.623 -1.554 -12.761 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.636 -5.291 -13.240 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.352 -1.100 -15.159 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.364 -4.841 -15.639 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.219 -2.743 -16.604 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.518 -5.377 -18.877 1.00 0.00 MG