USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 498 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 971 THR OG1 : rot 144:sc= -2.96! USER MOD Set 1.2: A 974 GLN : amide:sc= -7.08! C(o=-10!,f=-11!) USER MOD Single : A 947 MET CE :methyl -159:sc= -0.0526 (180deg=-0.535) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -1.74! C(o=-1.7!,f=-2.5!) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -130:sc= -0.698 (180deg=-2.43!) USER MOD Single : A 973 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2!) USER MOD Single : A 979 LYS NZ :NH3+ -173:sc= -1.7 (180deg=-1.95!) USER MOD Single : A 984 SER OG : rot 4:sc= 0.647! USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -150:sc= 0.963 USER MOD Single : A 992 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.84) USER MOD Single : A 994 TYR OH : rot 180:sc= 0 USER MOD Single : A 995 ASN : amide:sc= -0.801 K(o=-0.8,f=-0.096) USER MOD Single : A1003 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.136) USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -16.338 21.200 3.888 1.00 0.00 N ATOM 2 CA GLY A 945 -15.153 21.590 4.703 1.00 0.00 C ATOM 3 C GLY A 945 -14.713 20.407 5.557 1.00 0.00 C ATOM 4 O GLY A 945 -13.733 20.492 6.295 1.00 0.00 O ATOM 0 HA2 GLY A 945 -14.338 21.905 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -15.399 22.440 5.339 1.00 0.00 H new ATOM 7 N ALA A 946 -15.448 19.302 5.448 1.00 0.00 N ATOM 8 CA ALA A 946 -15.138 18.089 6.209 1.00 0.00 C ATOM 9 C ALA A 946 -15.419 16.853 5.360 1.00 0.00 C ATOM 10 O ALA A 946 -16.536 16.334 5.351 1.00 0.00 O ATOM 11 CB ALA A 946 -15.982 18.041 7.482 1.00 0.00 C ATOM 0 H ALA A 946 -16.263 19.220 4.840 1.00 0.00 H new ATOM 0 HA ALA A 946 -14.082 18.104 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -15.745 17.136 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -15.764 18.915 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -17.039 18.038 7.218 1.00 0.00 H new ATOM 17 N MET A 947 -14.401 16.391 4.641 1.00 0.00 N ATOM 18 CA MET A 947 -14.549 15.222 3.783 1.00 0.00 C ATOM 19 C MET A 947 -14.874 13.982 4.609 1.00 0.00 C ATOM 20 O MET A 947 -15.704 13.164 4.211 1.00 0.00 O ATOM 21 CB MET A 947 -13.259 14.994 2.986 1.00 0.00 C ATOM 22 CG MET A 947 -12.913 16.253 2.182 1.00 0.00 C ATOM 23 SD MET A 947 -14.258 16.650 1.034 1.00 0.00 S ATOM 24 CE MET A 947 -13.995 15.301 -0.145 1.00 0.00 C ATOM 0 H MET A 947 -13.469 16.806 4.635 1.00 0.00 H new ATOM 0 HA MET A 947 -15.373 15.403 3.093 1.00 0.00 H new ATOM 0 HB2 MET A 947 -12.441 14.748 3.664 1.00 0.00 H new ATOM 0 HB3 MET A 947 -13.382 14.145 2.314 1.00 0.00 H new ATOM 0 HG2 MET A 947 -12.743 17.090 2.859 1.00 0.00 H new ATOM 0 HG3 MET A 947 -11.987 16.097 1.629 1.00 0.00 H new ATOM 0 HE1 MET A 947 -14.453 15.558 -1.100 1.00 0.00 H new ATOM 0 HE2 MET A 947 -12.926 15.144 -0.285 1.00 0.00 H new ATOM 0 HE3 MET A 947 -14.448 14.388 0.240 1.00 0.00 H new ATOM 34 N ALA A 948 -14.219 13.844 5.757 1.00 0.00 N ATOM 35 CA ALA A 948 -14.459 12.692 6.621 1.00 0.00 C ATOM 36 C ALA A 948 -14.343 11.394 5.827 1.00 0.00 C ATOM 37 O ALA A 948 -15.293 10.970 5.168 1.00 0.00 O ATOM 38 CB ALA A 948 -15.853 12.792 7.241 1.00 0.00 C ATOM 0 H ALA A 948 -13.527 14.505 6.108 1.00 0.00 H new ATOM 0 HA ALA A 948 -13.708 12.688 7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -16.027 11.930 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -15.924 13.706 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -16.603 12.811 6.450 1.00 0.00 H new ATOM 44 N ILE A 949 -13.165 10.771 5.893 1.00 0.00 N ATOM 45 CA ILE A 949 -12.910 9.518 5.175 1.00 0.00 C ATOM 46 C ILE A 949 -12.729 8.374 6.163 1.00 0.00 C ATOM 47 O ILE A 949 -11.967 8.484 7.123 1.00 0.00 O ATOM 48 CB ILE A 949 -11.645 9.641 4.318 1.00 0.00 C ATOM 49 CG1 ILE A 949 -11.664 10.960 3.532 1.00 0.00 C ATOM 50 CG2 ILE A 949 -11.593 8.474 3.329 1.00 0.00 C ATOM 51 CD1 ILE A 949 -11.407 12.170 4.455 1.00 0.00 C ATOM 0 H ILE A 949 -12.372 11.112 6.436 1.00 0.00 H new ATOM 0 HA ILE A 949 -13.766 9.314 4.531 1.00 0.00 H new ATOM 0 HB ILE A 949 -10.771 9.623 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -10.906 10.930 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -12.628 11.076 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -10.695 8.556 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -11.573 7.533 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -12.474 8.501 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -11.427 13.087 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -12.181 12.214 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -10.431 12.065 4.930 1.00 0.00 H new ATOM 63 N ALA A 950 -13.432 7.274 5.920 1.00 0.00 N ATOM 64 CA ALA A 950 -13.337 6.114 6.795 1.00 0.00 C ATOM 65 C ALA A 950 -11.880 5.802 7.108 1.00 0.00 C ATOM 66 O ALA A 950 -11.582 5.067 8.049 1.00 0.00 O ATOM 67 CB ALA A 950 -13.990 4.902 6.129 1.00 0.00 C ATOM 0 H ALA A 950 -14.069 7.162 5.131 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.858 6.339 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.914 4.039 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -15.040 5.117 5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -13.481 4.685 5.190 1.00 0.00 H new ATOM 73 N LEU A 951 -10.978 6.368 6.314 1.00 0.00 N ATOM 74 CA LEU A 951 -9.546 6.151 6.510 1.00 0.00 C ATOM 75 C LEU A 951 -8.962 7.223 7.429 1.00 0.00 C ATOM 76 O LEU A 951 -9.250 8.409 7.281 1.00 0.00 O ATOM 77 CB LEU A 951 -8.831 6.179 5.152 1.00 0.00 C ATOM 78 CG LEU A 951 -8.925 4.807 4.482 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.389 4.456 4.230 1.00 0.00 C ATOM 80 CD2 LEU A 951 -8.168 4.854 3.156 1.00 0.00 C ATOM 0 H LEU A 951 -11.210 6.979 5.531 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.398 5.178 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.280 6.937 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.785 6.455 5.288 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.487 4.048 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.452 3.478 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.926 4.432 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.836 5.207 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -8.228 3.881 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.612 5.611 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -7.123 5.103 3.342 1.00 0.00 H new ATOM 92 N ARG A 952 -8.139 6.787 8.373 1.00 0.00 N ATOM 93 CA ARG A 952 -7.512 7.706 9.312 1.00 0.00 C ATOM 94 C ARG A 952 -6.543 8.622 8.571 1.00 0.00 C ATOM 95 O ARG A 952 -6.301 8.442 7.378 1.00 0.00 O ATOM 96 CB ARG A 952 -6.777 6.916 10.396 1.00 0.00 C ATOM 97 CG ARG A 952 -7.803 6.129 11.212 1.00 0.00 C ATOM 98 CD ARG A 952 -7.095 5.308 12.290 1.00 0.00 C ATOM 99 NE ARG A 952 -8.066 4.498 13.015 1.00 0.00 N ATOM 100 CZ ARG A 952 -7.748 3.896 14.157 1.00 0.00 C ATOM 101 NH1 ARG A 952 -6.562 4.057 14.674 1.00 0.00 N ATOM 102 NH2 ARG A 952 -8.628 3.149 14.765 1.00 0.00 N ATOM 0 H ARG A 952 -7.891 5.807 8.508 1.00 0.00 H new ATOM 0 HA ARG A 952 -8.279 8.319 9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -6.054 6.238 9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -6.219 7.592 11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.515 6.813 11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.373 5.470 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.341 4.666 11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -6.574 5.971 12.980 1.00 0.00 H new ATOM 0 HE ARG A 952 -9.008 4.391 12.639 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -5.876 4.646 14.202 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -6.320 3.594 15.550 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -9.558 3.028 14.364 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -8.386 2.686 15.641 1.00 0.00 H new ATOM 116 N ASP A 953 -6.007 9.612 9.272 1.00 0.00 N ATOM 117 CA ASP A 953 -5.086 10.554 8.647 1.00 0.00 C ATOM 118 C ASP A 953 -3.864 9.816 8.105 1.00 0.00 C ATOM 119 O ASP A 953 -3.432 10.064 6.980 1.00 0.00 O ATOM 120 CB ASP A 953 -4.652 11.612 9.674 1.00 0.00 C ATOM 121 CG ASP A 953 -5.740 12.675 9.840 1.00 0.00 C ATOM 122 OD1 ASP A 953 -6.586 12.779 8.967 1.00 0.00 O ATOM 123 OD2 ASP A 953 -5.714 13.367 10.844 1.00 0.00 O ATOM 0 H ASP A 953 -6.190 9.783 10.261 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.591 11.048 7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -4.452 11.135 10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -3.723 12.081 9.351 1.00 0.00 H new ATOM 128 N ASP A 954 -3.320 8.899 8.899 1.00 0.00 N ATOM 129 CA ASP A 954 -2.162 8.129 8.466 1.00 0.00 C ATOM 130 C ASP A 954 -2.538 7.210 7.309 1.00 0.00 C ATOM 131 O ASP A 954 -1.776 7.041 6.357 1.00 0.00 O ATOM 132 CB ASP A 954 -1.617 7.295 9.627 1.00 0.00 C ATOM 133 CG ASP A 954 -0.435 6.455 9.153 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.671 5.460 8.487 1.00 0.00 O ATOM 135 OD2 ASP A 954 0.688 6.821 9.457 1.00 0.00 O ATOM 0 H ASP A 954 -3.658 8.674 9.834 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.392 8.825 8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -1.306 7.949 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -2.400 6.647 10.020 1.00 0.00 H new ATOM 140 N GLU A 955 -3.721 6.611 7.408 1.00 0.00 N ATOM 141 CA GLU A 955 -4.203 5.697 6.377 1.00 0.00 C ATOM 142 C GLU A 955 -4.428 6.428 5.058 1.00 0.00 C ATOM 143 O GLU A 955 -4.108 5.906 3.991 1.00 0.00 O ATOM 144 CB GLU A 955 -5.512 5.061 6.835 1.00 0.00 C ATOM 145 CG GLU A 955 -5.246 4.195 8.066 1.00 0.00 C ATOM 146 CD GLU A 955 -4.450 2.955 7.677 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.680 2.442 6.592 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.617 2.538 8.465 1.00 0.00 O ATOM 0 H GLU A 955 -4.363 6.742 8.190 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.448 4.927 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.243 5.834 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.936 4.455 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.696 4.770 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.191 3.901 8.523 1.00 0.00 H new ATOM 155 N TYR A 956 -4.972 7.636 5.136 1.00 0.00 N ATOM 156 CA TYR A 956 -5.226 8.421 3.938 1.00 0.00 C ATOM 157 C TYR A 956 -3.916 8.673 3.202 1.00 0.00 C ATOM 158 O TYR A 956 -3.839 8.543 1.981 1.00 0.00 O ATOM 159 CB TYR A 956 -5.874 9.757 4.310 1.00 0.00 C ATOM 160 CG TYR A 956 -6.050 10.599 3.070 1.00 0.00 C ATOM 161 CD1 TYR A 956 -7.209 10.465 2.297 1.00 0.00 C ATOM 162 CD2 TYR A 956 -5.059 11.511 2.694 1.00 0.00 C ATOM 163 CE1 TYR A 956 -7.377 11.246 1.148 1.00 0.00 C ATOM 164 CE2 TYR A 956 -5.227 12.293 1.543 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.386 12.159 0.770 1.00 0.00 C ATOM 166 OH TYR A 956 -6.552 12.930 -0.363 1.00 0.00 O ATOM 0 H TYR A 956 -5.243 8.089 6.009 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.905 7.867 3.290 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.840 9.584 4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.253 10.284 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.973 9.759 2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -4.164 11.613 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -8.272 11.144 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -4.463 12.999 1.253 1.00 0.00 H new ATOM 0 HH TYR A 956 -5.772 13.511 -0.480 1.00 0.00 H new ATOM 176 N ASP A 957 -2.888 9.023 3.965 1.00 0.00 N ATOM 177 CA ASP A 957 -1.576 9.283 3.388 1.00 0.00 C ATOM 178 C ASP A 957 -1.026 8.015 2.744 1.00 0.00 C ATOM 179 O ASP A 957 -0.423 8.061 1.670 1.00 0.00 O ATOM 180 CB ASP A 957 -0.616 9.765 4.479 1.00 0.00 C ATOM 181 CG ASP A 957 0.754 10.058 3.882 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.944 9.773 2.710 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.598 10.562 4.605 1.00 0.00 O ATOM 0 H ASP A 957 -2.937 9.133 4.978 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.673 10.056 2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -1.014 10.662 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.527 9.006 5.257 1.00 0.00 H new ATOM 188 N GLU A 958 -1.245 6.881 3.403 1.00 0.00 N ATOM 189 CA GLU A 958 -0.771 5.609 2.880 1.00 0.00 C ATOM 190 C GLU A 958 -1.498 5.277 1.582 1.00 0.00 C ATOM 191 O GLU A 958 -0.895 4.774 0.632 1.00 0.00 O ATOM 192 CB GLU A 958 -1.000 4.492 3.901 1.00 0.00 C ATOM 193 CG GLU A 958 -0.167 3.267 3.518 1.00 0.00 C ATOM 194 CD GLU A 958 1.311 3.544 3.769 1.00 0.00 C ATOM 195 OE1 GLU A 958 1.610 4.564 4.369 1.00 0.00 O ATOM 196 OE2 GLU A 958 2.125 2.734 3.355 1.00 0.00 O ATOM 0 H GLU A 958 -1.743 6.819 4.291 1.00 0.00 H new ATOM 0 HA GLU A 958 0.298 5.691 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.724 4.835 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -2.057 4.229 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -0.488 2.402 4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 958 -0.327 3.022 2.468 1.00 0.00 H new ATOM 203 N TRP A 959 -2.797 5.573 1.536 1.00 0.00 N ATOM 204 CA TRP A 959 -3.578 5.313 0.338 1.00 0.00 C ATOM 205 C TRP A 959 -3.020 6.139 -0.817 1.00 0.00 C ATOM 206 O TRP A 959 -2.770 5.623 -1.893 1.00 0.00 O ATOM 207 CB TRP A 959 -5.062 5.642 0.590 1.00 0.00 C ATOM 208 CG TRP A 959 -5.827 5.657 -0.692 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.015 4.595 -1.509 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.537 6.771 -1.299 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.792 4.992 -2.585 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.140 6.325 -2.497 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.709 8.110 -0.922 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -7.892 7.185 -3.298 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.466 8.982 -1.724 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.055 8.520 -2.910 1.00 0.00 C ATOM 0 H TRP A 959 -3.321 5.988 2.307 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.510 4.257 0.077 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.493 4.904 1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.146 6.612 1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.624 3.601 -1.349 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.072 4.376 -3.348 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.258 8.474 -0.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.344 6.824 -4.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.594 10.012 -1.426 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -8.634 9.194 -3.524 1.00 0.00 H new ATOM 227 N GLN A 960 -2.788 7.420 -0.589 1.00 0.00 N ATOM 228 CA GLN A 960 -2.234 8.255 -1.649 1.00 0.00 C ATOM 229 C GLN A 960 -0.898 7.687 -2.110 1.00 0.00 C ATOM 230 O GLN A 960 -0.587 7.683 -3.304 1.00 0.00 O ATOM 231 CB GLN A 960 -2.060 9.694 -1.151 1.00 0.00 C ATOM 232 CG GLN A 960 -3.437 10.340 -0.976 1.00 0.00 C ATOM 233 CD GLN A 960 -4.085 10.562 -2.339 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.687 11.462 -3.078 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.053 9.777 -2.727 1.00 0.00 N ATOM 0 H GLN A 960 -2.967 7.898 0.294 1.00 0.00 H new ATOM 0 HA GLN A 960 -2.923 8.262 -2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.520 9.700 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.465 10.267 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.072 9.702 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.338 11.291 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.382 9.031 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.480 9.909 -3.644 1.00 0.00 H new ATOM 244 N ASP A 961 -0.118 7.198 -1.158 1.00 0.00 N ATOM 245 CA ASP A 961 1.178 6.621 -1.476 1.00 0.00 C ATOM 246 C ASP A 961 1.022 5.373 -2.348 1.00 0.00 C ATOM 247 O ASP A 961 1.854 5.115 -3.222 1.00 0.00 O ATOM 248 CB ASP A 961 1.919 6.256 -0.187 1.00 0.00 C ATOM 249 CG ASP A 961 2.400 7.521 0.517 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.398 8.567 -0.111 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.766 7.423 1.677 1.00 0.00 O ATOM 0 H ASP A 961 -0.358 7.189 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 961 1.753 7.363 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.260 5.691 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.768 5.613 -0.416 1.00 0.00 H new ATOM 256 N ILE A 962 -0.033 4.589 -2.112 1.00 0.00 N ATOM 257 CA ILE A 962 -0.231 3.375 -2.895 1.00 0.00 C ATOM 258 C ILE A 962 -0.543 3.755 -4.341 1.00 0.00 C ATOM 259 O ILE A 962 -0.052 3.127 -5.280 1.00 0.00 O ATOM 260 CB ILE A 962 -1.354 2.488 -2.268 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.972 0.993 -2.376 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.704 2.703 -2.982 1.00 0.00 C ATOM 263 CD1 ILE A 962 -0.047 0.601 -1.217 1.00 0.00 C ATOM 0 H ILE A 962 -0.744 4.769 -1.403 1.00 0.00 H new ATOM 0 HA ILE A 962 0.682 2.779 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 962 -1.455 2.778 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -1.871 0.377 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 962 -0.476 0.804 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -3.464 2.071 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -3.000 3.749 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.604 2.441 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 962 0.216 -0.453 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 962 0.859 1.205 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -0.558 0.772 -0.270 1.00 0.00 H new ATOM 275 N ILE A 963 -1.349 4.801 -4.514 1.00 0.00 N ATOM 276 CA ILE A 963 -1.689 5.250 -5.857 1.00 0.00 C ATOM 277 C ILE A 963 -0.412 5.656 -6.573 1.00 0.00 C ATOM 278 O ILE A 963 -0.203 5.312 -7.738 1.00 0.00 O ATOM 279 CB ILE A 963 -2.652 6.439 -5.810 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.891 6.073 -4.990 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.090 6.815 -7.229 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.892 7.241 -4.973 1.00 0.00 C ATOM 0 H ILE A 963 -1.769 5.341 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.181 4.436 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.141 7.284 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.365 5.187 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.598 5.823 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.775 7.662 -7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.215 7.086 -7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.592 5.965 -7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.767 6.962 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.421 8.118 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.199 7.472 -5.993 1.00 0.00 H new ATOM 294 N ARG A 964 0.449 6.375 -5.864 1.00 0.00 N ATOM 295 CA ARG A 964 1.715 6.801 -6.443 1.00 0.00 C ATOM 296 C ARG A 964 2.495 5.578 -6.918 1.00 0.00 C ATOM 297 O ARG A 964 3.089 5.587 -7.996 1.00 0.00 O ATOM 298 CB ARG A 964 2.537 7.557 -5.392 1.00 0.00 C ATOM 299 CG ARG A 964 3.846 8.063 -6.009 1.00 0.00 C ATOM 300 CD ARG A 964 4.670 8.774 -4.934 1.00 0.00 C ATOM 301 NE ARG A 964 5.866 9.366 -5.519 1.00 0.00 N ATOM 302 CZ ARG A 964 6.877 9.768 -4.755 1.00 0.00 C ATOM 303 NH1 ARG A 964 6.818 9.608 -3.460 1.00 0.00 N ATOM 304 NH2 ARG A 964 7.930 10.313 -5.299 1.00 0.00 N ATOM 0 H ARG A 964 0.297 6.672 -4.900 1.00 0.00 H new ATOM 0 HA ARG A 964 1.520 7.460 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.961 8.397 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.753 6.902 -4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.412 7.229 -6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.634 8.746 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 964 4.068 9.549 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.951 8.066 -4.155 1.00 0.00 H new ATOM 0 HE ARG A 964 5.929 9.474 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.997 9.175 -3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 964 7.593 9.916 -2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 964 7.978 10.431 -6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 964 8.705 10.621 -4.712 1.00 0.00 H new ATOM 318 N ASP A 965 2.495 4.532 -6.097 1.00 0.00 N ATOM 319 CA ASP A 965 3.212 3.305 -6.432 1.00 0.00 C ATOM 320 C ASP A 965 2.671 2.654 -7.706 1.00 0.00 C ATOM 321 O ASP A 965 3.449 2.203 -8.549 1.00 0.00 O ATOM 322 CB ASP A 965 3.109 2.311 -5.277 1.00 0.00 C ATOM 323 CG ASP A 965 4.037 1.130 -5.530 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.186 1.207 -5.127 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.588 0.168 -6.131 1.00 0.00 O ATOM 0 H ASP A 965 2.010 4.508 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 965 4.254 3.575 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.374 2.800 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.081 1.963 -5.175 1.00 0.00 H new ATOM 330 N TRP A 966 1.347 2.588 -7.845 1.00 0.00 N ATOM 331 CA TRP A 966 0.754 1.965 -9.031 1.00 0.00 C ATOM 332 C TRP A 966 0.814 2.906 -10.234 1.00 0.00 C ATOM 333 O TRP A 966 0.426 2.538 -11.344 1.00 0.00 O ATOM 334 CB TRP A 966 -0.701 1.565 -8.764 1.00 0.00 C ATOM 335 CG TRP A 966 -0.803 0.805 -7.484 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.512 1.205 -6.406 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.211 -0.478 -7.130 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.389 0.259 -5.411 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.591 -0.798 -5.804 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.619 -1.385 -7.817 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.166 -1.974 -5.183 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.047 -2.568 -7.194 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.657 -2.862 -5.881 1.00 0.00 C ATOM 0 H TRP A 966 0.676 2.950 -7.168 1.00 0.00 H new ATOM 0 HA TRP A 966 1.334 1.070 -9.257 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.327 2.456 -8.717 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -1.075 0.956 -9.587 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -2.083 2.119 -6.335 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.833 0.331 -4.496 1.00 0.00 H new ATOM 0 HE3 TRP A 966 0.928 -1.169 -8.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.471 -2.196 -4.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 1.682 -3.257 -7.731 1.00 0.00 H new ATOM 0 HH2 TRP A 966 0.992 -3.774 -5.409 1.00 0.00 H new ATOM 354 N ARG A 967 1.314 4.116 -10.011 1.00 0.00 N ATOM 355 CA ARG A 967 1.440 5.102 -11.083 1.00 0.00 C ATOM 356 C ARG A 967 0.134 5.252 -11.864 1.00 0.00 C ATOM 357 O ARG A 967 0.133 5.734 -12.997 1.00 0.00 O ATOM 358 CB ARG A 967 2.562 4.693 -12.039 1.00 0.00 C ATOM 359 CG ARG A 967 3.908 4.779 -11.313 1.00 0.00 C ATOM 360 CD ARG A 967 5.029 4.381 -12.273 1.00 0.00 C ATOM 361 NE ARG A 967 6.323 4.449 -11.597 1.00 0.00 N ATOM 362 CZ ARG A 967 6.815 3.404 -10.934 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.115 2.307 -10.833 1.00 0.00 N ATOM 364 NH2 ARG A 967 7.990 3.481 -10.370 1.00 0.00 N ATOM 0 H ARG A 967 1.639 4.440 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 967 1.675 6.063 -10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.395 3.678 -12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.566 5.345 -12.913 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.071 5.792 -10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.908 4.121 -10.444 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.858 3.371 -12.644 1.00 0.00 H new ATOM 0 HD3 ARG A 967 5.028 5.043 -13.139 1.00 0.00 H new ATOM 0 HE ARG A 967 6.861 5.315 -11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 967 5.191 2.250 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 967 6.492 1.507 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.532 4.342 -10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 967 8.366 2.680 -9.863 1.00 0.00 H new ATOM 378 N LYS A 968 -0.978 4.850 -11.252 1.00 0.00 N ATOM 379 CA LYS A 968 -2.292 4.958 -11.894 1.00 0.00 C ATOM 380 C LYS A 968 -3.350 5.277 -10.845 1.00 0.00 C ATOM 381 O LYS A 968 -3.181 4.958 -9.668 1.00 0.00 O ATOM 382 CB LYS A 968 -2.644 3.654 -12.616 1.00 0.00 C ATOM 383 CG LYS A 968 -2.844 2.542 -11.588 1.00 0.00 C ATOM 384 CD LYS A 968 -2.904 1.176 -12.283 1.00 0.00 C ATOM 385 CE LYS A 968 -4.217 1.035 -13.058 1.00 0.00 C ATOM 386 NZ LYS A 968 -4.380 -0.378 -13.502 1.00 0.00 N ATOM 0 H LYS A 968 -0.999 4.447 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.260 5.762 -12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.551 3.786 -13.206 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.848 3.384 -13.310 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.027 2.554 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.765 2.714 -11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -2.059 1.068 -12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.822 0.379 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -5.057 1.329 -12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.216 1.701 -13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -5.271 -0.476 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -3.584 -0.643 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -4.399 -1.003 -12.671 1.00 0.00 H new ATOM 400 N GLU A 969 -4.427 5.925 -11.268 1.00 0.00 N ATOM 401 CA GLU A 969 -5.489 6.300 -10.340 1.00 0.00 C ATOM 402 C GLU A 969 -6.358 5.101 -9.959 1.00 0.00 C ATOM 403 O GLU A 969 -6.840 4.362 -10.817 1.00 0.00 O ATOM 404 CB GLU A 969 -6.356 7.402 -10.962 1.00 0.00 C ATOM 405 CG GLU A 969 -7.170 6.837 -12.129 1.00 0.00 C ATOM 406 CD GLU A 969 -7.825 7.974 -12.904 1.00 0.00 C ATOM 407 OE1 GLU A 969 -8.620 8.686 -12.316 1.00 0.00 O ATOM 408 OE2 GLU A 969 -7.524 8.113 -14.079 1.00 0.00 O ATOM 0 H GLU A 969 -4.589 6.200 -12.237 1.00 0.00 H new ATOM 0 HA GLU A 969 -5.022 6.672 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -7.026 7.817 -10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -5.724 8.219 -11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -6.523 6.261 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.933 6.154 -11.755 1.00 0.00 H new ATOM 415 N MET A 970 -6.565 4.936 -8.653 1.00 0.00 N ATOM 416 CA MET A 970 -7.396 3.851 -8.127 1.00 0.00 C ATOM 417 C MET A 970 -8.123 4.344 -6.880 1.00 0.00 C ATOM 418 O MET A 970 -7.678 5.290 -6.228 1.00 0.00 O ATOM 419 CB MET A 970 -6.559 2.605 -7.802 1.00 0.00 C ATOM 420 CG MET A 970 -5.396 2.972 -6.884 1.00 0.00 C ATOM 421 SD MET A 970 -6.005 3.121 -5.183 1.00 0.00 S ATOM 422 CE MET A 970 -5.916 1.366 -4.742 1.00 0.00 C ATOM 0 H MET A 970 -6.167 5.542 -7.936 1.00 0.00 H new ATOM 0 HA MET A 970 -8.120 3.563 -8.890 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.186 1.853 -7.323 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.179 2.164 -8.723 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.619 2.210 -6.939 1.00 0.00 H new ATOM 0 HG3 MET A 970 -4.945 3.911 -7.205 1.00 0.00 H new ATOM 0 HE1 MET A 970 -6.864 1.052 -4.305 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.716 0.776 -5.636 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.115 1.213 -4.019 1.00 0.00 H new ATOM 432 N THR A 971 -9.260 3.732 -6.573 1.00 0.00 N ATOM 433 CA THR A 971 -10.064 4.150 -5.427 1.00 0.00 C ATOM 434 C THR A 971 -9.577 3.548 -4.110 1.00 0.00 C ATOM 435 O THR A 971 -8.773 2.616 -4.087 1.00 0.00 O ATOM 436 CB THR A 971 -11.520 3.746 -5.660 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.608 2.331 -5.761 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.020 4.384 -6.956 1.00 0.00 C ATOM 0 H THR A 971 -9.647 2.948 -7.098 1.00 0.00 H new ATOM 0 HA THR A 971 -9.969 5.232 -5.341 1.00 0.00 H new ATOM 0 HB THR A 971 -12.133 4.088 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.443 2.025 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.058 4.098 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.951 5.469 -6.878 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.408 4.041 -7.790 1.00 0.00 H new ATOM 446 N VAL A 972 -10.101 4.098 -3.017 1.00 0.00 N ATOM 447 CA VAL A 972 -9.773 3.643 -1.672 1.00 0.00 C ATOM 448 C VAL A 972 -10.238 2.200 -1.484 1.00 0.00 C ATOM 449 O VAL A 972 -9.532 1.373 -0.910 1.00 0.00 O ATOM 450 CB VAL A 972 -10.483 4.551 -0.654 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.511 3.888 0.731 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.741 5.890 -0.565 1.00 0.00 C ATOM 0 H VAL A 972 -10.765 4.872 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.694 3.689 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.509 4.716 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.017 4.545 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.045 2.940 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.490 3.708 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.242 6.536 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.714 5.716 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.739 6.371 -1.543 1.00 0.00 H new ATOM 462 N GLN A 973 -11.442 1.913 -1.957 1.00 0.00 N ATOM 463 CA GLN A 973 -12.004 0.581 -1.816 1.00 0.00 C ATOM 464 C GLN A 973 -11.047 -0.462 -2.384 1.00 0.00 C ATOM 465 O GLN A 973 -10.787 -1.489 -1.758 1.00 0.00 O ATOM 466 CB GLN A 973 -13.337 0.516 -2.566 1.00 0.00 C ATOM 467 CG GLN A 973 -14.444 1.165 -1.729 1.00 0.00 C ATOM 468 CD GLN A 973 -14.040 2.584 -1.346 1.00 0.00 C ATOM 469 OE1 GLN A 973 -13.705 2.844 -0.190 1.00 0.00 O ATOM 470 NE2 GLN A 973 -14.052 3.524 -2.251 1.00 0.00 N ATOM 0 H GLN A 973 -12.044 2.581 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.162 0.371 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.249 1.026 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.593 -0.522 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -15.376 1.183 -2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.627 0.575 -0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -14.330 3.307 -3.208 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -13.784 4.476 -2.001 1.00 0.00 H new ATOM 479 N GLN A 974 -10.527 -0.186 -3.571 1.00 0.00 N ATOM 480 CA GLN A 974 -9.599 -1.101 -4.222 1.00 0.00 C ATOM 481 C GLN A 974 -8.455 -1.438 -3.264 1.00 0.00 C ATOM 482 O GLN A 974 -8.081 -2.601 -3.111 1.00 0.00 O ATOM 483 CB GLN A 974 -9.053 -0.429 -5.495 1.00 0.00 C ATOM 484 CG GLN A 974 -9.973 -0.701 -6.694 1.00 0.00 C ATOM 485 CD GLN A 974 -11.434 -0.406 -6.349 1.00 0.00 C ATOM 486 OE1 GLN A 974 -11.956 -0.893 -5.348 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.134 0.364 -7.138 1.00 0.00 N ATOM 0 H GLN A 974 -10.730 0.661 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.109 -2.026 -4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -8.965 0.646 -5.335 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.051 -0.803 -5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.665 -0.085 -7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -9.873 -1.741 -7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.703 0.769 -7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.112 0.560 -6.923 1.00 0.00 H new ATOM 496 N PHE A 975 -7.926 -0.415 -2.604 1.00 0.00 N ATOM 497 CA PHE A 975 -6.844 -0.610 -1.646 1.00 0.00 C ATOM 498 C PHE A 975 -7.300 -1.514 -0.502 1.00 0.00 C ATOM 499 O PHE A 975 -6.573 -2.418 -0.089 1.00 0.00 O ATOM 500 CB PHE A 975 -6.372 0.745 -1.109 1.00 0.00 C ATOM 501 CG PHE A 975 -5.367 0.536 0.002 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.159 -0.122 -0.263 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.642 0.997 1.297 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.231 -0.317 0.766 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.711 0.805 2.324 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.504 0.149 2.057 1.00 0.00 C ATOM 0 H PHE A 975 -8.226 0.554 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.009 -1.096 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -5.923 1.328 -1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.223 1.316 -0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -3.944 -0.478 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.575 1.502 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.302 -0.828 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.924 1.162 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.783 0.002 2.848 1.00 0.00 H new ATOM 516 N LEU A 976 -8.508 -1.278 0.002 1.00 0.00 N ATOM 517 CA LEU A 976 -9.037 -2.095 1.092 1.00 0.00 C ATOM 518 C LEU A 976 -9.164 -3.555 0.642 1.00 0.00 C ATOM 519 O LEU A 976 -8.907 -4.477 1.412 1.00 0.00 O ATOM 520 CB LEU A 976 -10.402 -1.552 1.565 1.00 0.00 C ATOM 521 CG LEU A 976 -10.220 -0.521 2.685 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.440 0.676 2.163 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.594 -0.056 3.172 1.00 0.00 C ATOM 0 H LEU A 976 -9.132 -0.539 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.344 -2.048 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.927 -1.095 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.023 -2.375 1.920 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.671 -0.977 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -9.314 1.405 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.461 0.348 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.985 1.134 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.469 0.677 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -12.139 0.397 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -12.154 -0.911 3.551 1.00 0.00 H new ATOM 535 N ASP A 977 -9.557 -3.766 -0.601 1.00 0.00 N ATOM 536 CA ASP A 977 -9.681 -5.125 -1.105 1.00 0.00 C ATOM 537 C ASP A 977 -8.305 -5.790 -1.109 1.00 0.00 C ATOM 538 O ASP A 977 -8.154 -6.952 -0.724 1.00 0.00 O ATOM 539 CB ASP A 977 -10.238 -5.104 -2.528 1.00 0.00 C ATOM 540 CG ASP A 977 -10.513 -6.527 -3.005 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.217 -7.448 -2.260 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.007 -6.675 -4.110 1.00 0.00 O ATOM 0 H ASP A 977 -9.792 -3.032 -1.269 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.360 -5.686 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.157 -4.518 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.528 -4.619 -3.198 1.00 0.00 H new ATOM 547 N LEU A 978 -7.307 -5.027 -1.561 1.00 0.00 N ATOM 548 CA LEU A 978 -5.930 -5.515 -1.641 1.00 0.00 C ATOM 549 C LEU A 978 -5.357 -5.874 -0.270 1.00 0.00 C ATOM 550 O LEU A 978 -4.791 -6.954 -0.097 1.00 0.00 O ATOM 551 CB LEU A 978 -5.068 -4.429 -2.304 1.00 0.00 C ATOM 552 CG LEU A 978 -3.575 -4.786 -2.243 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.331 -6.156 -2.881 1.00 0.00 C ATOM 554 CD2 LEU A 978 -2.787 -3.723 -3.011 1.00 0.00 C ATOM 0 H LEU A 978 -7.429 -4.065 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 978 -5.924 -6.431 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.372 -4.305 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.236 -3.474 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.252 -4.821 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.269 -6.397 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -3.901 -6.914 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -3.649 -6.134 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.724 -3.963 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.121 -3.701 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -2.954 -2.747 -2.556 1.00 0.00 H new ATOM 566 N LYS A 979 -5.497 -4.975 0.701 1.00 0.00 N ATOM 567 CA LYS A 979 -4.970 -5.239 2.029 1.00 0.00 C ATOM 568 C LYS A 979 -5.757 -6.363 2.688 1.00 0.00 C ATOM 569 O LYS A 979 -5.188 -7.262 3.282 1.00 0.00 O ATOM 570 CB LYS A 979 -5.021 -3.958 2.879 1.00 0.00 C ATOM 571 CG LYS A 979 -6.440 -3.725 3.395 1.00 0.00 C ATOM 572 CD LYS A 979 -6.584 -2.304 3.950 1.00 0.00 C ATOM 573 CE LYS A 979 -5.795 -2.161 5.254 1.00 0.00 C ATOM 574 NZ LYS A 979 -6.149 -3.269 6.183 1.00 0.00 N ATOM 0 H LYS A 979 -5.963 -4.074 0.593 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.930 -5.554 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.330 -4.041 3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.698 -3.104 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.156 -3.881 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.674 -4.451 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -6.223 -1.582 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.636 -2.080 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -4.725 -2.177 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -6.015 -1.200 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -5.703 -3.103 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -7.182 -3.308 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -5.810 -4.171 5.792 1.00 0.00 H new ATOM 588 N GLU A 980 -7.072 -6.314 2.567 1.00 0.00 N ATOM 589 CA GLU A 980 -7.899 -7.347 3.169 1.00 0.00 C ATOM 590 C GLU A 980 -7.430 -8.729 2.721 1.00 0.00 C ATOM 591 O GLU A 980 -7.234 -9.625 3.545 1.00 0.00 O ATOM 592 CB GLU A 980 -9.362 -7.140 2.774 1.00 0.00 C ATOM 593 CG GLU A 980 -10.235 -8.182 3.475 1.00 0.00 C ATOM 594 CD GLU A 980 -11.707 -7.913 3.177 1.00 0.00 C ATOM 595 OE1 GLU A 980 -12.005 -6.834 2.695 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.512 -8.789 3.442 1.00 0.00 O ATOM 0 H GLU A 980 -7.583 -5.586 2.068 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.809 -7.280 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.685 -6.136 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.473 -7.226 1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.964 -9.182 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -10.061 -8.150 4.551 1.00 0.00 H new ATOM 603 N ARG A 981 -7.255 -8.906 1.414 1.00 0.00 N ATOM 604 CA ARG A 981 -6.815 -10.194 0.897 1.00 0.00 C ATOM 605 C ARG A 981 -5.411 -10.549 1.390 1.00 0.00 C ATOM 606 O ARG A 981 -5.175 -11.659 1.864 1.00 0.00 O ATOM 607 CB ARG A 981 -6.816 -10.171 -0.633 1.00 0.00 C ATOM 608 CG ARG A 981 -8.257 -10.133 -1.151 1.00 0.00 C ATOM 609 CD ARG A 981 -8.243 -10.144 -2.679 1.00 0.00 C ATOM 610 NE ARG A 981 -7.600 -8.938 -3.192 1.00 0.00 N ATOM 611 CZ ARG A 981 -7.190 -8.867 -4.453 1.00 0.00 C ATOM 612 NH1 ARG A 981 -7.375 -9.880 -5.255 1.00 0.00 N ATOM 613 NH2 ARG A 981 -6.602 -7.787 -4.891 1.00 0.00 N ATOM 0 H ARG A 981 -7.408 -8.187 0.707 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.511 -10.949 1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.268 -9.301 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.304 -11.052 -1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.814 -10.991 -0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.764 -9.239 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -7.713 -11.027 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -9.263 -10.209 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 981 -7.464 -8.139 -2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -7.834 -10.724 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -7.061 -9.827 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -6.457 -6.996 -4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -6.288 -7.735 -5.860 1.00 0.00 H new ATOM 627 N ALA A 982 -4.478 -9.608 1.271 1.00 0.00 N ATOM 628 CA ALA A 982 -3.099 -9.857 1.699 1.00 0.00 C ATOM 629 C ALA A 982 -3.021 -10.155 3.182 1.00 0.00 C ATOM 630 O ALA A 982 -2.409 -11.138 3.599 1.00 0.00 O ATOM 631 CB ALA A 982 -2.233 -8.637 1.417 1.00 0.00 C ATOM 0 H ALA A 982 -4.645 -8.678 0.888 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.741 -10.721 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.211 -8.834 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.242 -8.424 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.626 -7.778 1.961 1.00 0.00 H new ATOM 637 N LEU A 983 -3.633 -9.294 3.973 1.00 0.00 N ATOM 638 CA LEU A 983 -3.616 -9.469 5.407 1.00 0.00 C ATOM 639 C LEU A 983 -4.327 -10.769 5.770 1.00 0.00 C ATOM 640 O LEU A 983 -4.044 -11.376 6.802 1.00 0.00 O ATOM 641 CB LEU A 983 -4.272 -8.262 6.106 1.00 0.00 C ATOM 642 CG LEU A 983 -3.245 -7.126 6.311 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.485 -6.827 5.011 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.971 -5.858 6.790 1.00 0.00 C ATOM 0 H LEU A 983 -4.144 -8.473 3.647 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.583 -9.528 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -5.108 -7.900 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.678 -8.570 7.069 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.523 -7.446 7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.769 -6.024 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.954 -7.722 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.191 -6.523 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -3.246 -5.057 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.704 -5.554 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.478 -6.063 7.733 1.00 0.00 H new ATOM 656 N SER A 984 -5.243 -11.197 4.906 1.00 0.00 N ATOM 657 CA SER A 984 -5.980 -12.433 5.137 1.00 0.00 C ATOM 658 C SER A 984 -5.104 -13.634 4.781 1.00 0.00 C ATOM 659 O SER A 984 -5.524 -14.785 4.909 1.00 0.00 O ATOM 660 CB SER A 984 -7.249 -12.457 4.286 1.00 0.00 C ATOM 661 OG SER A 984 -7.775 -13.779 4.265 1.00 0.00 O ATOM 0 H SER A 984 -5.491 -10.709 4.045 1.00 0.00 H new ATOM 0 HA SER A 984 -6.256 -12.485 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.987 -11.766 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.027 -12.125 3.272 1.00 0.00 H new ATOM 0 HG SER A 984 -7.238 -14.354 4.849 1.00 0.00 H new ATOM 667 N GLY A 985 -3.874 -13.354 4.346 1.00 0.00 N ATOM 668 CA GLY A 985 -2.929 -14.412 3.987 1.00 0.00 C ATOM 669 C GLY A 985 -3.074 -14.833 2.528 1.00 0.00 C ATOM 670 O GLY A 985 -2.798 -15.981 2.176 1.00 0.00 O ATOM 0 H GLY A 985 -3.510 -12.408 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.911 -14.065 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -3.089 -15.276 4.632 1.00 0.00 H new ATOM 674 N ALA A 986 -3.504 -13.906 1.680 1.00 0.00 N ATOM 675 CA ALA A 986 -3.675 -14.208 0.261 1.00 0.00 C ATOM 676 C ALA A 986 -2.336 -14.430 -0.412 1.00 0.00 C ATOM 677 O ALA A 986 -1.340 -13.794 -0.071 1.00 0.00 O ATOM 678 CB ALA A 986 -4.386 -13.064 -0.447 1.00 0.00 C ATOM 0 H ALA A 986 -3.739 -12.949 1.944 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.272 -15.117 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.504 -13.307 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.367 -12.912 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.796 -12.153 -0.348 1.00 0.00 H new ATOM 684 N SER A 987 -2.323 -15.337 -1.386 1.00 0.00 N ATOM 685 CA SER A 987 -1.106 -15.636 -2.129 1.00 0.00 C ATOM 686 C SER A 987 -1.099 -14.882 -3.452 1.00 0.00 C ATOM 687 O SER A 987 -0.125 -14.935 -4.202 1.00 0.00 O ATOM 688 CB SER A 987 -1.009 -17.139 -2.391 1.00 0.00 C ATOM 689 OG SER A 987 -0.921 -17.829 -1.151 1.00 0.00 O ATOM 0 H SER A 987 -3.139 -15.875 -1.677 1.00 0.00 H new ATOM 0 HA SER A 987 -0.248 -15.320 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 987 -1.882 -17.479 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.135 -17.357 -3.004 1.00 0.00 H new ATOM 0 HG SER A 987 -0.860 -18.793 -1.317 1.00 0.00 H new ATOM 695 N ASP A 988 -2.192 -14.179 -3.733 1.00 0.00 N ATOM 696 CA ASP A 988 -2.302 -13.412 -4.969 1.00 0.00 C ATOM 697 C ASP A 988 -0.996 -12.660 -5.239 1.00 0.00 C ATOM 698 O ASP A 988 -0.280 -12.311 -4.301 1.00 0.00 O ATOM 699 CB ASP A 988 -3.465 -12.416 -4.854 1.00 0.00 C ATOM 700 CG ASP A 988 -4.795 -13.143 -5.043 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.946 -14.215 -4.485 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.641 -12.614 -5.746 1.00 0.00 O ATOM 0 H ASP A 988 -3.010 -14.125 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.492 -14.094 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.443 -11.929 -3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.359 -11.632 -5.604 1.00 0.00 H new ATOM 707 N PRO A 989 -0.662 -12.409 -6.482 1.00 0.00 N ATOM 708 CA PRO A 989 0.599 -11.688 -6.831 1.00 0.00 C ATOM 709 C PRO A 989 0.618 -10.281 -6.242 1.00 0.00 C ATOM 710 O PRO A 989 1.673 -9.737 -5.918 1.00 0.00 O ATOM 711 CB PRO A 989 0.597 -11.664 -8.374 1.00 0.00 C ATOM 712 CG PRO A 989 -0.834 -11.860 -8.761 1.00 0.00 C ATOM 713 CD PRO A 989 -1.433 -12.763 -7.689 1.00 0.00 C ATOM 0 HA PRO A 989 1.487 -12.173 -6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.983 -10.718 -8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.228 -12.453 -8.782 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.361 -10.907 -8.809 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.913 -12.318 -9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.499 -12.577 -7.555 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.323 -13.817 -7.943 1.00 0.00 H new ATOM 721 N ASP A 990 -0.560 -9.700 -6.098 1.00 0.00 N ATOM 722 CA ASP A 990 -0.665 -8.364 -5.539 1.00 0.00 C ATOM 723 C ASP A 990 -0.433 -8.396 -4.029 1.00 0.00 C ATOM 724 O ASP A 990 0.036 -7.419 -3.448 1.00 0.00 O ATOM 725 CB ASP A 990 -2.041 -7.769 -5.848 1.00 0.00 C ATOM 726 CG ASP A 990 -2.179 -7.537 -7.348 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.163 -7.538 -8.026 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.299 -7.366 -7.801 1.00 0.00 O ATOM 0 H ASP A 990 -1.449 -10.127 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 990 0.101 -7.737 -5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.825 -8.443 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.169 -6.829 -5.312 1.00 0.00 H new ATOM 733 N SER A 991 -0.762 -9.522 -3.394 1.00 0.00 N ATOM 734 CA SER A 991 -0.575 -9.650 -1.951 1.00 0.00 C ATOM 735 C SER A 991 0.907 -9.739 -1.600 1.00 0.00 C ATOM 736 O SER A 991 1.393 -9.016 -0.730 1.00 0.00 O ATOM 737 CB SER A 991 -1.309 -10.882 -1.427 1.00 0.00 C ATOM 738 OG SER A 991 -0.800 -11.224 -0.145 1.00 0.00 O ATOM 0 H SER A 991 -1.154 -10.346 -3.849 1.00 0.00 H new ATOM 0 HA SER A 991 -0.990 -8.761 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.379 -10.683 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.180 -11.716 -2.116 1.00 0.00 H new ATOM 0 HG SER A 991 -0.882 -12.191 -0.008 1.00 0.00 H new ATOM 744 N GLN A 992 1.627 -10.623 -2.286 1.00 0.00 N ATOM 745 CA GLN A 992 3.053 -10.777 -2.033 1.00 0.00 C ATOM 746 C GLN A 992 3.775 -9.486 -2.421 1.00 0.00 C ATOM 747 O GLN A 992 4.650 -9.009 -1.693 1.00 0.00 O ATOM 748 CB GLN A 992 3.620 -11.982 -2.817 1.00 0.00 C ATOM 749 CG GLN A 992 2.753 -12.274 -4.054 1.00 0.00 C ATOM 750 CD GLN A 992 3.583 -12.970 -5.133 1.00 0.00 C ATOM 751 OE1 GLN A 992 3.168 -13.994 -5.674 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.737 -12.467 -5.474 1.00 0.00 N ATOM 0 H GLN A 992 1.252 -11.235 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 992 3.212 -10.970 -0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.645 -11.774 -3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.653 -12.860 -2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.908 -12.903 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.342 -11.344 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 992 5.077 -11.618 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 992 5.300 -12.923 -6.192 1.00 0.00 H new ATOM 761 N ARG A 993 3.381 -8.908 -3.553 1.00 0.00 N ATOM 762 CA ARG A 993 3.978 -7.657 -3.996 1.00 0.00 C ATOM 763 C ARG A 993 3.674 -6.558 -2.987 1.00 0.00 C ATOM 764 O ARG A 993 4.514 -5.707 -2.718 1.00 0.00 O ATOM 765 CB ARG A 993 3.446 -7.267 -5.377 1.00 0.00 C ATOM 766 CG ARG A 993 4.080 -8.163 -6.446 1.00 0.00 C ATOM 767 CD ARG A 993 3.468 -7.837 -7.808 1.00 0.00 C ATOM 768 NE ARG A 993 4.043 -8.689 -8.842 1.00 0.00 N ATOM 769 CZ ARG A 993 3.534 -8.716 -10.069 1.00 0.00 C ATOM 770 NH1 ARG A 993 2.490 -7.988 -10.358 1.00 0.00 N ATOM 771 NH2 ARG A 993 4.074 -9.472 -10.986 1.00 0.00 N ATOM 0 H ARG A 993 2.661 -9.282 -4.171 1.00 0.00 H new ATOM 0 HA ARG A 993 5.058 -7.789 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.361 -7.368 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.674 -6.221 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 993 5.159 -8.008 -6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.914 -9.212 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 993 2.388 -7.978 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 993 3.645 -6.789 -8.052 1.00 0.00 H new ATOM 0 HE ARG A 993 4.849 -9.274 -8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 993 2.065 -7.399 -9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 993 2.099 -8.008 -11.300 1.00 0.00 H new ATOM 0 HH21 ARG A 993 4.888 -10.044 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 993 3.682 -9.491 -11.927 1.00 0.00 H new ATOM 785 N TYR A 994 2.471 -6.594 -2.420 1.00 0.00 N ATOM 786 CA TYR A 994 2.077 -5.606 -1.421 1.00 0.00 C ATOM 787 C TYR A 994 2.996 -5.701 -0.208 1.00 0.00 C ATOM 788 O TYR A 994 3.458 -4.689 0.320 1.00 0.00 O ATOM 789 CB TYR A 994 0.624 -5.833 -0.995 1.00 0.00 C ATOM 790 CG TYR A 994 0.275 -4.882 0.131 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.245 -3.503 -0.107 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.019 -5.377 1.408 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.080 -2.621 0.931 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.345 -4.496 2.443 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.375 -3.116 2.205 1.00 0.00 C ATOM 796 OH TYR A 994 -0.699 -2.247 3.227 1.00 0.00 O ATOM 0 H TYR A 994 1.757 -7.291 -2.633 1.00 0.00 H new ATOM 0 HA TYR A 994 2.163 -4.611 -1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.044 -5.673 -1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.486 -6.864 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.472 -3.119 -1.091 1.00 0.00 H new ATOM 0 HD2 TYR A 994 0.006 -6.441 1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.103 -1.557 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.574 -4.879 3.426 1.00 0.00 H new ATOM 0 HH TYR A 994 -0.877 -2.756 4.045 1.00 0.00 H new ATOM 806 N ASN A 995 3.275 -6.928 0.222 1.00 0.00 N ATOM 807 CA ASN A 995 4.155 -7.130 1.365 1.00 0.00 C ATOM 808 C ASN A 995 5.516 -6.525 1.044 1.00 0.00 C ATOM 809 O ASN A 995 6.120 -5.828 1.865 1.00 0.00 O ATOM 810 CB ASN A 995 4.306 -8.628 1.638 1.00 0.00 C ATOM 811 CG ASN A 995 3.047 -9.167 2.310 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.769 -8.845 3.464 1.00 0.00 O ATOM 813 ND2 ASN A 995 2.264 -9.973 1.646 1.00 0.00 N ATOM 0 H ASN A 995 2.911 -7.784 -0.197 1.00 0.00 H new ATOM 0 HA ASN A 995 3.735 -6.650 2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.485 -9.160 0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 995 5.172 -8.804 2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.418 -10.338 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.498 -10.238 0.689 1.00 0.00 H new ATOM 820 N ALA A 996 5.976 -6.769 -0.179 1.00 0.00 N ATOM 821 CA ALA A 996 7.245 -6.214 -0.613 1.00 0.00 C ATOM 822 C ALA A 996 7.148 -4.703 -0.660 1.00 0.00 C ATOM 823 O ALA A 996 8.080 -4.002 -0.303 1.00 0.00 O ATOM 824 CB ALA A 996 7.609 -6.721 -1.998 1.00 0.00 C ATOM 0 H ALA A 996 5.495 -7.339 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 996 8.014 -6.524 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.564 -6.292 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.689 -7.808 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.836 -6.427 -2.708 1.00 0.00 H new ATOM 830 N TRP A 997 6.013 -4.194 -1.107 1.00 0.00 N ATOM 831 CA TRP A 997 5.848 -2.760 -1.185 1.00 0.00 C ATOM 832 C TRP A 997 6.112 -2.160 0.184 1.00 0.00 C ATOM 833 O TRP A 997 6.793 -1.140 0.302 1.00 0.00 O ATOM 834 CB TRP A 997 4.444 -2.392 -1.665 1.00 0.00 C ATOM 835 CG TRP A 997 4.337 -0.907 -1.779 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.868 -0.166 -2.779 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.669 0.032 -0.884 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.573 1.169 -2.553 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.833 1.340 -1.399 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.944 -0.126 0.309 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.296 2.452 -0.748 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.403 0.991 0.964 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.577 2.277 0.437 1.00 0.00 C ATOM 0 H TRP A 997 5.210 -4.742 -1.415 1.00 0.00 H new ATOM 0 HA TRP A 997 6.558 -2.359 -1.908 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.243 -2.858 -2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.697 -2.770 -0.966 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.430 -0.552 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 997 4.866 1.932 -3.164 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.802 -1.113 0.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.435 3.441 -1.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.848 0.858 1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 997 2.156 3.132 0.946 1.00 0.00 H new ATOM 854 N LEU A 998 5.609 -2.822 1.223 1.00 0.00 N ATOM 855 CA LEU A 998 5.847 -2.350 2.576 1.00 0.00 C ATOM 856 C LEU A 998 7.345 -2.398 2.842 1.00 0.00 C ATOM 857 O LEU A 998 7.913 -1.480 3.432 1.00 0.00 O ATOM 858 CB LEU A 998 5.103 -3.215 3.600 1.00 0.00 C ATOM 859 CG LEU A 998 3.585 -2.994 3.479 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.859 -4.052 4.317 1.00 0.00 C ATOM 861 CD2 LEU A 998 3.197 -1.588 3.980 1.00 0.00 C ATOM 0 H LEU A 998 5.046 -3.670 1.154 1.00 0.00 H new ATOM 0 HA LEU A 998 5.476 -1.330 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 998 5.339 -4.267 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 998 5.435 -2.965 4.608 1.00 0.00 H new ATOM 0 HG LEU A 998 3.297 -3.080 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.782 -3.903 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 998 3.116 -5.046 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 998 3.162 -3.961 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 998 2.120 -1.453 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.486 -1.482 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.711 -0.834 3.383 1.00 0.00 H new ATOM 873 N GLU A 999 7.991 -3.463 2.377 1.00 0.00 N ATOM 874 CA GLU A 999 9.432 -3.583 2.549 1.00 0.00 C ATOM 875 C GLU A 999 10.119 -2.404 1.850 1.00 0.00 C ATOM 876 O GLU A 999 11.033 -1.782 2.403 1.00 0.00 O ATOM 877 CB GLU A 999 9.931 -4.918 1.972 1.00 0.00 C ATOM 878 CG GLU A 999 11.442 -5.035 2.172 1.00 0.00 C ATOM 879 CD GLU A 999 11.942 -6.369 1.630 1.00 0.00 C ATOM 880 OE1 GLU A 999 11.120 -7.245 1.414 1.00 0.00 O ATOM 881 OE2 GLU A 999 13.141 -6.495 1.435 1.00 0.00 O ATOM 0 H GLU A 999 7.549 -4.241 1.887 1.00 0.00 H new ATOM 0 HA GLU A 999 9.675 -3.564 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 999 9.424 -5.749 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.689 -4.979 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.948 -4.215 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.684 -4.951 3.232 1.00 0.00 H new ATOM 888 N LEU A1000 9.656 -2.082 0.643 1.00 0.00 N ATOM 889 CA LEU A1000 10.226 -0.966 -0.101 1.00 0.00 C ATOM 890 C LEU A1000 10.036 0.309 0.707 1.00 0.00 C ATOM 891 O LEU A1000 10.942 1.120 0.832 1.00 0.00 O ATOM 892 CB LEU A1000 9.522 -0.789 -1.454 1.00 0.00 C ATOM 893 CG LEU A1000 9.722 -2.012 -2.358 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.066 -1.734 -3.714 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.216 -2.307 -2.556 1.00 0.00 C ATOM 0 H LEU A1000 8.898 -2.572 0.167 1.00 0.00 H new ATOM 0 HA LEU A1000 11.283 -1.169 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.457 -0.626 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A1000 9.908 0.100 -1.953 1.00 0.00 H new ATOM 0 HG LEU A1000 9.264 -2.882 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.201 -2.596 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.001 -1.549 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.529 -0.858 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.333 -3.178 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A1000 11.699 -1.446 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.679 -2.506 -1.589 1.00 0.00 H new ATOM 907 N ARG A1001 8.851 0.467 1.271 1.00 0.00 N ATOM 908 CA ARG A1001 8.562 1.639 2.077 1.00 0.00 C ATOM 909 C ARG A1001 9.534 1.741 3.238 1.00 0.00 C ATOM 910 O ARG A1001 10.040 2.821 3.547 1.00 0.00 O ATOM 911 CB ARG A1001 7.127 1.565 2.588 1.00 0.00 C ATOM 912 CG ARG A1001 6.891 2.650 3.636 1.00 0.00 C ATOM 913 CD ARG A1001 5.393 2.791 3.902 1.00 0.00 C ATOM 914 NE ARG A1001 5.158 3.806 4.925 1.00 0.00 N ATOM 915 CZ ARG A1001 5.069 5.096 4.612 1.00 0.00 C ATOM 916 NH1 ARG A1001 5.162 5.474 3.366 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.884 5.983 5.550 1.00 0.00 N ATOM 0 H ARG A1001 8.080 -0.195 1.187 1.00 0.00 H new ATOM 0 HA ARG A1001 8.677 2.531 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.430 1.690 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.936 0.583 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.412 2.397 4.559 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.300 3.599 3.289 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.877 3.065 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.982 1.835 4.226 1.00 0.00 H new ATOM 0 HE ARG A1001 5.060 3.520 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.303 4.780 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A1001 5.094 6.463 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.808 5.688 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A1001 4.816 6.972 5.310 1.00 0.00 H new ATOM 931 N ALA A1002 9.797 0.616 3.871 1.00 0.00 N ATOM 932 CA ALA A1002 10.715 0.600 4.987 1.00 0.00 C ATOM 933 C ALA A1002 12.064 1.115 4.523 1.00 0.00 C ATOM 934 O ALA A1002 12.801 1.742 5.281 1.00 0.00 O ATOM 935 CB ALA A1002 10.863 -0.819 5.538 1.00 0.00 C ATOM 0 H ALA A1002 9.392 -0.290 3.634 1.00 0.00 H new ATOM 0 HA ALA A1002 10.327 1.238 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A1002 11.558 -0.813 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.892 -1.182 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A1002 11.245 -1.475 4.756 1.00 0.00 H new ATOM 941 N LYS A1003 12.377 0.842 3.261 1.00 0.00 N ATOM 942 CA LYS A1003 13.643 1.289 2.688 1.00 0.00 C ATOM 943 C LYS A1003 13.615 2.788 2.383 1.00 0.00 C ATOM 944 O LYS A1003 14.619 3.481 2.554 1.00 0.00 O ATOM 945 CB LYS A1003 13.975 0.496 1.422 1.00 0.00 C ATOM 946 CG LYS A1003 14.229 -0.961 1.801 1.00 0.00 C ATOM 947 CD LYS A1003 14.637 -1.753 0.558 1.00 0.00 C ATOM 948 CE LYS A1003 14.938 -3.201 0.947 1.00 0.00 C ATOM 949 NZ LYS A1003 16.250 -3.262 1.652 1.00 0.00 N ATOM 0 H LYS A1003 11.779 0.319 2.621 1.00 0.00 H new ATOM 0 HA LYS A1003 14.423 1.108 3.428 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.152 0.562 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A1003 14.854 0.917 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A1003 15.014 -1.019 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.331 -1.394 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A1003 13.838 -1.724 -0.183 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.515 -1.300 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A1003 14.148 -3.588 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A1003 14.961 -3.831 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 16.561 -4.252 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 16.956 -2.714 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 16.150 -2.863 2.607 1.00 0.00 H new ATOM 963 N ARG A1004 12.468 3.287 1.918 1.00 0.00 N ATOM 964 CA ARG A1004 12.344 4.709 1.583 1.00 0.00 C ATOM 965 C ARG A1004 12.080 5.539 2.837 1.00 0.00 C ATOM 966 O ARG A1004 10.953 5.965 3.085 1.00 0.00 O ATOM 967 CB ARG A1004 11.195 4.931 0.588 1.00 0.00 C ATOM 968 CG ARG A1004 11.352 4.021 -0.639 1.00 0.00 C ATOM 969 CD ARG A1004 12.511 4.500 -1.521 1.00 0.00 C ATOM 970 NE ARG A1004 12.350 5.912 -1.847 1.00 0.00 N ATOM 971 CZ ARG A1004 13.282 6.574 -2.526 1.00 0.00 C ATOM 972 NH1 ARG A1004 14.371 5.963 -2.904 1.00 0.00 N ATOM 973 NH2 ARG A1004 13.107 7.836 -2.810 1.00 0.00 N ATOM 0 H ARG A1004 11.622 2.738 1.766 1.00 0.00 H new ATOM 0 HA ARG A1004 13.284 5.026 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A1004 10.241 4.730 1.076 1.00 0.00 H new ATOM 0 HB3 ARG A1004 11.178 5.974 0.273 1.00 0.00 H new ATOM 0 HG2 ARG A1004 11.533 2.995 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.427 4.016 -1.216 1.00 0.00 H new ATOM 0 HD2 ARG A1004 13.458 4.345 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A1004 12.547 3.910 -2.437 1.00 0.00 H new ATOM 0 HE ARG A1004 11.506 6.401 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A1004 14.507 4.978 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A1004 15.086 6.471 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A1004 12.256 8.313 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A1004 13.821 8.345 -3.331 1.00 0.00 H new ATOM 987 N LEU A1005 13.131 5.777 3.615 1.00 0.00 N ATOM 988 CA LEU A1005 13.007 6.571 4.832 1.00 0.00 C ATOM 989 C LEU A1005 12.597 8.001 4.484 1.00 0.00 C ATOM 990 O LEU A1005 11.761 8.598 5.163 1.00 0.00 O ATOM 991 CB LEU A1005 14.339 6.566 5.604 1.00 0.00 C ATOM 992 CG LEU A1005 14.438 5.304 6.475 1.00 0.00 C ATOM 993 CD1 LEU A1005 14.269 4.051 5.611 1.00 0.00 C ATOM 994 CD2 LEU A1005 15.807 5.266 7.157 1.00 0.00 C ATOM 0 H LEU A1005 14.073 5.434 3.426 1.00 0.00 H new ATOM 0 HA LEU A1005 12.236 6.132 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A1005 15.174 6.601 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A1005 14.409 7.456 6.230 1.00 0.00 H new ATOM 0 HG LEU A1005 13.649 5.328 7.226 1.00 0.00 H new ATOM 0 HD11 LEU A1005 14.341 3.163 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A1005 13.294 4.073 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A1005 15.052 4.023 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A1005 15.881 4.372 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A1005 16.591 5.248 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A1005 15.927 6.151 7.782 1.00 0.00 H new ATOM 1006 N SER A1006 13.190 8.541 3.425 1.00 0.00 N ATOM 1007 CA SER A1006 12.872 9.899 2.997 1.00 0.00 C ATOM 1008 C SER A1006 11.362 10.109 2.969 1.00 0.00 C ATOM 1009 O SER A1006 10.928 11.201 3.297 1.00 0.00 O ATOM 1010 CB SER A1006 13.450 10.162 1.605 1.00 0.00 C ATOM 1011 OG SER A1006 12.932 11.388 1.107 1.00 0.00 O ATOM 0 H SER A1006 13.887 8.065 2.852 1.00 0.00 H new ATOM 0 HA SER A1006 13.315 10.596 3.709 1.00 0.00 H new ATOM 0 HB2 SER A1006 14.538 10.206 1.652 1.00 0.00 H new ATOM 0 HB3 SER A1006 13.193 9.345 0.931 1.00 0.00 H new ATOM 0 HG SER A1006 13.301 11.561 0.216 1.00 0.00 H new TER 1017 SER A1006