USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=12 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 -145:sc= 0.174 USER MOD Set 1.2: A 974 GLN :FLIP amide:sc= -6.71! C(o=-8.6!,f=-6.5!) USER MOD Single : A 947 MET CE :methyl -149:sc= -0.264 (180deg=-1.19) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -2.8! X(o=-2.8!,f=-2.7) USER MOD Single : A 968 LYS NZ :NH3+ -157:sc= -0.0225 (180deg=-0.652) USER MOD Single : A 970 MET CE :methyl -166:sc= -0.362 (180deg=-1.13) USER MOD Single : A 973 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.4) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot -27:sc= 0.993 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -151:sc= 0.642 USER MOD Single : A 992 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.25) USER MOD Single : A 994 TYR OH : rot -17:sc= 0.00956 USER MOD Single : A 995 ASN : amide:sc=-0.00844 X(o=-0.0084,f=-0.25) USER MOD Single : A1003 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.202) USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -13.263 19.973 5.094 1.00 0.00 N ATOM 2 CA GLY A 945 -13.417 20.316 3.652 1.00 0.00 C ATOM 3 C GLY A 945 -14.087 19.158 2.919 1.00 0.00 C ATOM 4 O GLY A 945 -14.541 19.306 1.786 1.00 0.00 O ATOM 0 HA2 GLY A 945 -14.014 21.222 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -12.442 20.523 3.211 1.00 0.00 H new ATOM 7 N ALA A 946 -14.142 18.002 3.573 1.00 0.00 N ATOM 8 CA ALA A 946 -14.758 16.827 2.967 1.00 0.00 C ATOM 9 C ALA A 946 -15.037 15.755 4.017 1.00 0.00 C ATOM 10 O ALA A 946 -16.189 15.393 4.255 1.00 0.00 O ATOM 11 CB ALA A 946 -13.841 16.256 1.885 1.00 0.00 C ATOM 0 H ALA A 946 -13.772 17.854 4.512 1.00 0.00 H new ATOM 0 HA ALA A 946 -15.705 17.132 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -14.308 15.379 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -13.673 17.010 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -12.887 15.972 2.329 1.00 0.00 H new ATOM 17 N MET A 947 -13.977 15.247 4.641 1.00 0.00 N ATOM 18 CA MET A 947 -14.130 14.213 5.660 1.00 0.00 C ATOM 19 C MET A 947 -15.073 13.121 5.150 1.00 0.00 C ATOM 20 O MET A 947 -15.600 12.316 5.917 1.00 0.00 O ATOM 21 CB MET A 947 -14.671 14.842 6.951 1.00 0.00 C ATOM 22 CG MET A 947 -14.470 13.892 8.139 1.00 0.00 C ATOM 23 SD MET A 947 -14.874 14.756 9.680 1.00 0.00 S ATOM 24 CE MET A 947 -13.463 15.896 9.703 1.00 0.00 C ATOM 0 H MET A 947 -13.014 15.531 4.462 1.00 0.00 H new ATOM 0 HA MET A 947 -13.162 13.760 5.873 1.00 0.00 H new ATOM 0 HB2 MET A 947 -14.162 15.786 7.143 1.00 0.00 H new ATOM 0 HB3 MET A 947 -15.731 15.069 6.835 1.00 0.00 H new ATOM 0 HG2 MET A 947 -15.104 13.012 8.026 1.00 0.00 H new ATOM 0 HG3 MET A 947 -13.439 13.540 8.167 1.00 0.00 H new ATOM 0 HE1 MET A 947 -13.191 16.117 10.735 1.00 0.00 H new ATOM 0 HE2 MET A 947 -12.616 15.436 9.195 1.00 0.00 H new ATOM 0 HE3 MET A 947 -13.734 16.821 9.193 1.00 0.00 H new ATOM 34 N ALA A 948 -15.277 13.101 3.837 1.00 0.00 N ATOM 35 CA ALA A 948 -16.148 12.108 3.219 1.00 0.00 C ATOM 36 C ALA A 948 -15.566 10.707 3.387 1.00 0.00 C ATOM 37 O ALA A 948 -16.300 9.732 3.542 1.00 0.00 O ATOM 38 CB ALA A 948 -16.322 12.417 1.731 1.00 0.00 C ATOM 0 H ALA A 948 -14.853 13.758 3.183 1.00 0.00 H new ATOM 0 HA ALA A 948 -17.119 12.147 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -16.974 11.670 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -16.767 13.405 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -15.350 12.396 1.239 1.00 0.00 H new ATOM 44 N ILE A 949 -14.238 10.614 3.345 1.00 0.00 N ATOM 45 CA ILE A 949 -13.565 9.329 3.488 1.00 0.00 C ATOM 46 C ILE A 949 -13.479 8.917 4.956 1.00 0.00 C ATOM 47 O ILE A 949 -13.265 9.752 5.835 1.00 0.00 O ATOM 48 CB ILE A 949 -12.159 9.399 2.880 1.00 0.00 C ATOM 49 CG1 ILE A 949 -11.354 10.523 3.543 1.00 0.00 C ATOM 50 CG2 ILE A 949 -12.267 9.672 1.379 1.00 0.00 C ATOM 51 CD1 ILE A 949 -9.898 10.450 3.077 1.00 0.00 C ATOM 0 H ILE A 949 -13.612 11.409 3.214 1.00 0.00 H new ATOM 0 HA ILE A 949 -14.149 8.578 2.955 1.00 0.00 H new ATOM 0 HB ILE A 949 -11.652 8.449 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -11.782 11.492 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -11.405 10.430 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -11.268 9.722 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -12.829 8.869 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -12.780 10.620 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -9.325 11.249 3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -9.474 9.486 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -9.857 10.564 1.994 1.00 0.00 H new ATOM 63 N ALA A 950 -13.659 7.623 5.211 1.00 0.00 N ATOM 64 CA ALA A 950 -13.603 7.099 6.574 1.00 0.00 C ATOM 65 C ALA A 950 -12.162 6.806 6.976 1.00 0.00 C ATOM 66 O ALA A 950 -11.894 6.391 8.102 1.00 0.00 O ATOM 67 CB ALA A 950 -14.432 5.817 6.675 1.00 0.00 C ATOM 0 H ALA A 950 -13.844 6.920 4.495 1.00 0.00 H new ATOM 0 HA ALA A 950 -14.012 7.851 7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -14.385 5.433 7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -15.469 6.033 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -14.034 5.071 5.987 1.00 0.00 H new ATOM 73 N LEU A 951 -11.240 7.019 6.044 1.00 0.00 N ATOM 74 CA LEU A 951 -9.826 6.768 6.304 1.00 0.00 C ATOM 75 C LEU A 951 -9.234 7.855 7.198 1.00 0.00 C ATOM 76 O LEU A 951 -9.657 9.011 7.171 1.00 0.00 O ATOM 77 CB LEU A 951 -9.048 6.689 4.976 1.00 0.00 C ATOM 78 CG LEU A 951 -9.080 5.255 4.434 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.525 4.806 4.230 1.00 0.00 C ATOM 80 CD2 LEU A 951 -8.333 5.207 3.100 1.00 0.00 C ATOM 0 H LEU A 951 -11.444 7.363 5.106 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.739 5.814 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.485 7.372 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -8.016 7.005 5.130 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.601 4.586 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.538 3.786 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -11.055 4.841 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -11.015 5.469 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -8.352 4.190 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.815 5.878 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -7.299 5.519 3.250 1.00 0.00 H new ATOM 92 N ARG A 952 -8.251 7.456 7.993 1.00 0.00 N ATOM 93 CA ARG A 952 -7.582 8.370 8.912 1.00 0.00 C ATOM 94 C ARG A 952 -6.494 9.150 8.182 1.00 0.00 C ATOM 95 O ARG A 952 -6.177 8.858 7.031 1.00 0.00 O ATOM 96 CB ARG A 952 -6.967 7.569 10.062 1.00 0.00 C ATOM 97 CG ARG A 952 -8.092 6.927 10.876 1.00 0.00 C ATOM 98 CD ARG A 952 -7.506 6.052 11.984 1.00 0.00 C ATOM 99 NE ARG A 952 -8.585 5.375 12.703 1.00 0.00 N ATOM 100 CZ ARG A 952 -9.094 4.229 12.257 1.00 0.00 C ATOM 101 NH1 ARG A 952 -8.612 3.683 11.174 1.00 0.00 N ATOM 102 NH2 ARG A 952 -10.069 3.648 12.902 1.00 0.00 N ATOM 0 H ARG A 952 -7.897 6.500 8.021 1.00 0.00 H new ATOM 0 HA ARG A 952 -8.310 9.078 9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -6.299 6.801 9.672 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -6.367 8.221 10.697 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.725 7.701 11.310 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.726 6.326 10.224 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.824 5.317 11.557 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -6.925 6.664 12.674 1.00 0.00 H new ATOM 0 HE ARG A 952 -8.953 5.788 13.560 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -7.847 4.135 10.672 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -9.000 2.805 10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -10.443 4.072 13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -10.457 2.770 12.557 1.00 0.00 H new ATOM 116 N ASP A 953 -5.930 10.147 8.854 1.00 0.00 N ATOM 117 CA ASP A 953 -4.884 10.960 8.249 1.00 0.00 C ATOM 118 C ASP A 953 -3.713 10.088 7.815 1.00 0.00 C ATOM 119 O ASP A 953 -3.209 10.220 6.699 1.00 0.00 O ATOM 120 CB ASP A 953 -4.402 12.010 9.253 1.00 0.00 C ATOM 121 CG ASP A 953 -3.405 12.954 8.591 1.00 0.00 C ATOM 122 OD1 ASP A 953 -2.943 12.635 7.507 1.00 0.00 O ATOM 123 OD2 ASP A 953 -3.117 13.984 9.179 1.00 0.00 O ATOM 0 H ASP A 953 -6.177 10.409 9.808 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.293 11.457 7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -5.252 12.576 9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -3.937 11.519 10.108 1.00 0.00 H new ATOM 128 N ASP A 954 -3.286 9.190 8.697 1.00 0.00 N ATOM 129 CA ASP A 954 -2.176 8.300 8.382 1.00 0.00 C ATOM 130 C ASP A 954 -2.552 7.380 7.227 1.00 0.00 C ATOM 131 O ASP A 954 -1.754 7.132 6.323 1.00 0.00 O ATOM 132 CB ASP A 954 -1.818 7.462 9.612 1.00 0.00 C ATOM 133 CG ASP A 954 -1.131 8.338 10.655 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.835 9.477 10.340 1.00 0.00 O ATOM 135 OD2 ASP A 954 -0.910 7.854 11.754 1.00 0.00 O ATOM 0 H ASP A 954 -3.687 9.060 9.626 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.315 8.901 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.719 7.017 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -1.161 6.641 9.325 1.00 0.00 H new ATOM 140 N GLU A 955 -3.780 6.874 7.278 1.00 0.00 N ATOM 141 CA GLU A 955 -4.284 5.972 6.251 1.00 0.00 C ATOM 142 C GLU A 955 -4.436 6.690 4.915 1.00 0.00 C ATOM 143 O GLU A 955 -4.178 6.117 3.856 1.00 0.00 O ATOM 144 CB GLU A 955 -5.637 5.422 6.685 1.00 0.00 C ATOM 145 CG GLU A 955 -5.454 4.573 7.944 1.00 0.00 C ATOM 146 CD GLU A 955 -4.734 3.276 7.595 1.00 0.00 C ATOM 147 OE1 GLU A 955 -5.410 2.321 7.249 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.516 3.258 7.674 1.00 0.00 O ATOM 0 H GLU A 955 -4.446 7.075 8.024 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.569 5.159 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.330 6.240 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -6.072 4.821 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.882 5.128 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.424 4.352 8.388 1.00 0.00 H new ATOM 155 N TYR A 956 -4.859 7.945 4.972 1.00 0.00 N ATOM 156 CA TYR A 956 -5.050 8.738 3.764 1.00 0.00 C ATOM 157 C TYR A 956 -3.744 8.829 2.985 1.00 0.00 C ATOM 158 O TYR A 956 -3.723 8.664 1.762 1.00 0.00 O ATOM 159 CB TYR A 956 -5.529 10.141 4.146 1.00 0.00 C ATOM 160 CG TYR A 956 -5.594 11.020 2.915 1.00 0.00 C ATOM 161 CD1 TYR A 956 -6.641 10.872 1.996 1.00 0.00 C ATOM 162 CD2 TYR A 956 -4.607 11.991 2.698 1.00 0.00 C ATOM 163 CE1 TYR A 956 -6.700 11.693 0.862 1.00 0.00 C ATOM 164 CE2 TYR A 956 -4.665 12.811 1.568 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.710 12.663 0.649 1.00 0.00 C ATOM 166 OH TYR A 956 -5.763 13.475 -0.466 1.00 0.00 O ATOM 0 H TYR A 956 -5.076 8.436 5.839 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.800 8.258 3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.512 10.084 4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.852 10.578 4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.403 10.125 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -3.800 12.106 3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -7.507 11.579 0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -3.903 13.559 1.404 1.00 0.00 H new ATOM 0 HH TYR A 956 -5.001 14.091 -0.458 1.00 0.00 H new ATOM 176 N ASP A 957 -2.657 9.083 3.699 1.00 0.00 N ATOM 177 CA ASP A 957 -1.348 9.187 3.066 1.00 0.00 C ATOM 178 C ASP A 957 -0.955 7.849 2.447 1.00 0.00 C ATOM 179 O ASP A 957 -0.360 7.804 1.372 1.00 0.00 O ATOM 180 CB ASP A 957 -0.295 9.599 4.096 1.00 0.00 C ATOM 181 CG ASP A 957 1.000 9.985 3.389 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.968 10.153 2.182 1.00 0.00 O ATOM 183 OD2 ASP A 957 2.007 10.104 4.069 1.00 0.00 O ATOM 0 H ASP A 957 -2.653 9.220 4.710 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.402 9.944 2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.661 10.439 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.111 8.778 4.789 1.00 0.00 H new ATOM 188 N GLU A 958 -1.289 6.765 3.136 1.00 0.00 N ATOM 189 CA GLU A 958 -0.962 5.429 2.651 1.00 0.00 C ATOM 190 C GLU A 958 -1.710 5.130 1.352 1.00 0.00 C ATOM 191 O GLU A 958 -1.146 4.560 0.420 1.00 0.00 O ATOM 192 CB GLU A 958 -1.331 4.387 3.710 1.00 0.00 C ATOM 193 CG GLU A 958 -0.839 3.006 3.269 1.00 0.00 C ATOM 194 CD GLU A 958 -1.211 1.964 4.318 1.00 0.00 C ATOM 195 OE1 GLU A 958 -2.025 2.280 5.171 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.677 0.870 4.255 1.00 0.00 O ATOM 0 H GLU A 958 -1.784 6.783 4.028 1.00 0.00 H new ATOM 0 HA GLU A 958 0.109 5.384 2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.884 4.654 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -2.411 4.369 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -1.282 2.742 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.242 3.023 3.128 1.00 0.00 H new ATOM 203 N TRP A 959 -2.982 5.520 1.295 1.00 0.00 N ATOM 204 CA TRP A 959 -3.782 5.284 0.097 1.00 0.00 C ATOM 205 C TRP A 959 -3.224 6.097 -1.077 1.00 0.00 C ATOM 206 O TRP A 959 -3.033 5.574 -2.168 1.00 0.00 O ATOM 207 CB TRP A 959 -5.252 5.637 0.373 1.00 0.00 C ATOM 208 CG TRP A 959 -6.042 5.655 -0.894 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.223 4.603 -1.724 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.781 6.763 -1.464 1.00 0.00 C ATOM 211 NE1 TRP A 959 -7.030 5.004 -2.776 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.397 6.328 -2.660 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.970 8.094 -1.062 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.179 7.188 -3.432 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.756 8.964 -1.836 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.357 8.511 -3.021 1.00 0.00 C ATOM 0 H TRP A 959 -3.474 5.994 2.052 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.731 4.229 -0.172 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.681 4.911 1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.311 6.612 0.857 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.808 3.615 -1.589 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.317 4.395 -3.542 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.509 8.451 -0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.643 6.833 -4.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.899 9.986 -1.518 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -8.957 9.185 -3.615 1.00 0.00 H new ATOM 227 N GLN A 960 -2.938 7.368 -0.857 1.00 0.00 N ATOM 228 CA GLN A 960 -2.382 8.183 -1.932 1.00 0.00 C ATOM 229 C GLN A 960 -1.005 7.659 -2.331 1.00 0.00 C ATOM 230 O GLN A 960 -0.639 7.644 -3.510 1.00 0.00 O ATOM 231 CB GLN A 960 -2.276 9.645 -1.491 1.00 0.00 C ATOM 232 CG GLN A 960 -3.683 10.218 -1.302 1.00 0.00 C ATOM 233 CD GLN A 960 -4.384 10.341 -2.651 1.00 0.00 C ATOM 234 OE1 GLN A 960 -4.084 11.248 -3.426 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.295 9.469 -2.987 1.00 0.00 N ATOM 0 H GLN A 960 -3.075 7.852 0.030 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.048 8.123 -2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.713 9.716 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.732 10.224 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.261 9.573 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.625 11.195 -0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.543 8.717 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.759 9.539 -3.893 1.00 0.00 H new ATOM 244 N ASP A 961 -0.248 7.228 -1.335 1.00 0.00 N ATOM 245 CA ASP A 961 1.087 6.700 -1.572 1.00 0.00 C ATOM 246 C ASP A 961 1.032 5.424 -2.407 1.00 0.00 C ATOM 247 O ASP A 961 1.890 5.197 -3.263 1.00 0.00 O ATOM 248 CB ASP A 961 1.776 6.413 -0.236 1.00 0.00 C ATOM 249 CG ASP A 961 2.146 7.721 0.457 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.171 8.741 -0.215 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.396 7.684 1.649 1.00 0.00 O ATOM 0 H ASP A 961 -0.534 7.233 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 961 1.656 7.447 -2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.115 5.828 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.672 5.814 -0.402 1.00 0.00 H new ATOM 256 N ILE A 962 0.027 4.583 -2.157 1.00 0.00 N ATOM 257 CA ILE A 962 -0.091 3.339 -2.903 1.00 0.00 C ATOM 258 C ILE A 962 -0.432 3.665 -4.355 1.00 0.00 C ATOM 259 O ILE A 962 0.063 3.023 -5.281 1.00 0.00 O ATOM 260 CB ILE A 962 -1.144 2.400 -2.245 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.677 0.930 -2.343 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.513 2.531 -2.942 1.00 0.00 C ATOM 263 CD1 ILE A 962 0.285 0.610 -1.192 1.00 0.00 C ATOM 0 H ILE A 962 -0.700 4.739 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 962 0.857 2.801 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 962 -1.245 2.693 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -1.538 0.263 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 962 -0.183 0.759 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -3.230 1.865 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.865 3.560 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.413 2.261 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 962 0.610 -0.428 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 962 1.153 1.267 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -0.223 0.763 -0.240 1.00 0.00 H new ATOM 275 N ILE A 963 -1.268 4.684 -4.540 1.00 0.00 N ATOM 276 CA ILE A 963 -1.646 5.098 -5.884 1.00 0.00 C ATOM 277 C ILE A 963 -0.399 5.503 -6.645 1.00 0.00 C ATOM 278 O ILE A 963 -0.210 5.124 -7.801 1.00 0.00 O ATOM 279 CB ILE A 963 -2.608 6.286 -5.817 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.949 5.821 -5.248 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.810 6.885 -7.221 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.868 7.024 -4.958 1.00 0.00 C ATOM 0 H ILE A 963 -1.690 5.229 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.141 4.270 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.186 7.054 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.435 5.148 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.783 5.255 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.496 7.730 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -1.851 7.224 -7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.226 6.126 -7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.816 6.669 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.388 7.682 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.050 7.573 -5.882 1.00 0.00 H new ATOM 294 N ARG A 964 0.465 6.257 -5.980 1.00 0.00 N ATOM 295 CA ARG A 964 1.707 6.684 -6.596 1.00 0.00 C ATOM 296 C ARG A 964 2.539 5.464 -6.975 1.00 0.00 C ATOM 297 O ARG A 964 3.154 5.426 -8.040 1.00 0.00 O ATOM 298 CB ARG A 964 2.496 7.576 -5.637 1.00 0.00 C ATOM 299 CG ARG A 964 3.761 8.084 -6.331 1.00 0.00 C ATOM 300 CD ARG A 964 4.499 9.051 -5.402 1.00 0.00 C ATOM 301 NE ARG A 964 5.630 9.658 -6.095 1.00 0.00 N ATOM 302 CZ ARG A 964 5.456 10.674 -6.932 1.00 0.00 C ATOM 303 NH1 ARG A 964 4.251 11.109 -7.187 1.00 0.00 N ATOM 304 NH2 ARG A 964 6.487 11.228 -7.509 1.00 0.00 N ATOM 0 H ARG A 964 0.328 6.582 -5.023 1.00 0.00 H new ATOM 0 HA ARG A 964 1.477 7.256 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.881 8.418 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.761 7.017 -4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.408 7.246 -6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.501 8.585 -7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 964 3.816 9.828 -5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.849 8.519 -4.517 1.00 0.00 H new ATOM 0 HE ARG A 964 6.570 9.296 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 964 3.445 10.668 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 964 4.116 11.889 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 964 7.427 10.881 -7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 964 6.353 12.008 -8.152 1.00 0.00 H new ATOM 318 N ASP A 965 2.563 4.472 -6.087 1.00 0.00 N ATOM 319 CA ASP A 965 3.336 3.258 -6.330 1.00 0.00 C ATOM 320 C ASP A 965 2.844 2.516 -7.576 1.00 0.00 C ATOM 321 O ASP A 965 3.648 2.049 -8.380 1.00 0.00 O ATOM 322 CB ASP A 965 3.251 2.325 -5.123 1.00 0.00 C ATOM 323 CG ASP A 965 4.094 1.079 -5.377 1.00 0.00 C ATOM 324 OD1 ASP A 965 4.956 1.138 -6.239 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.864 0.086 -4.710 1.00 0.00 O ATOM 0 H ASP A 965 2.060 4.485 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 965 4.371 3.559 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.604 2.838 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.214 2.043 -4.941 1.00 0.00 H new ATOM 330 N TRP A 966 1.522 2.396 -7.736 1.00 0.00 N ATOM 331 CA TRP A 966 0.982 1.693 -8.900 1.00 0.00 C ATOM 332 C TRP A 966 1.035 2.586 -10.132 1.00 0.00 C ATOM 333 O TRP A 966 0.687 2.164 -11.236 1.00 0.00 O ATOM 334 CB TRP A 966 -0.472 1.265 -8.667 1.00 0.00 C ATOM 335 CG TRP A 966 -0.643 0.650 -7.315 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.489 1.112 -6.367 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.004 -0.528 -6.745 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.406 0.301 -5.256 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.494 -0.722 -5.435 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.967 -1.437 -7.228 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.058 -1.778 -4.632 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.406 -2.500 -6.422 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.898 -2.668 -5.128 1.00 0.00 C ATOM 0 H TRP A 966 0.823 2.766 -7.092 1.00 0.00 H new ATOM 0 HA TRP A 966 1.595 0.805 -9.056 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.128 2.130 -8.762 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.772 0.552 -9.435 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -2.127 1.978 -6.465 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.951 0.439 -4.405 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.369 -1.315 -8.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.456 -1.906 -3.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.141 -3.193 -6.803 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.245 -3.485 -4.513 1.00 0.00 H new ATOM 354 N ARG A 967 1.471 3.820 -9.935 1.00 0.00 N ATOM 355 CA ARG A 967 1.572 4.774 -11.028 1.00 0.00 C ATOM 356 C ARG A 967 0.245 4.896 -11.777 1.00 0.00 C ATOM 357 O ARG A 967 0.189 5.472 -12.863 1.00 0.00 O ATOM 358 CB ARG A 967 2.680 4.348 -11.993 1.00 0.00 C ATOM 359 CG ARG A 967 4.016 4.351 -11.248 1.00 0.00 C ATOM 360 CD ARG A 967 5.137 3.901 -12.182 1.00 0.00 C ATOM 361 NE ARG A 967 5.363 4.907 -13.215 1.00 0.00 N ATOM 362 CZ ARG A 967 6.268 4.720 -14.170 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.984 3.629 -14.190 1.00 0.00 N ATOM 364 NH2 ARG A 967 6.446 5.629 -15.087 1.00 0.00 N ATOM 0 H ARG A 967 1.761 4.185 -9.028 1.00 0.00 H new ATOM 0 HA ARG A 967 1.815 5.749 -10.607 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.472 3.354 -12.390 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.721 5.029 -12.843 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.227 5.351 -10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.962 3.687 -10.385 1.00 0.00 H new ATOM 0 HD2 ARG A 967 6.053 3.741 -11.613 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.877 2.948 -12.642 1.00 0.00 H new ATOM 0 HE ARG A 967 4.817 5.768 -13.204 1.00 0.00 H new ATOM 0 HH11 ARG A 967 6.850 2.918 -13.472 1.00 0.00 H new ATOM 0 HH12 ARG A 967 7.678 3.488 -14.924 1.00 0.00 H new ATOM 0 HH21 ARG A 967 5.891 6.484 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 967 7.141 5.485 -15.820 1.00 0.00 H new ATOM 378 N LYS A 968 -0.834 4.384 -11.172 1.00 0.00 N ATOM 379 CA LYS A 968 -2.166 4.477 -11.778 1.00 0.00 C ATOM 380 C LYS A 968 -3.199 4.801 -10.699 1.00 0.00 C ATOM 381 O LYS A 968 -3.050 4.399 -9.546 1.00 0.00 O ATOM 382 CB LYS A 968 -2.541 3.175 -12.508 1.00 0.00 C ATOM 383 CG LYS A 968 -2.874 2.046 -11.521 1.00 0.00 C ATOM 384 CD LYS A 968 -3.210 0.779 -12.317 1.00 0.00 C ATOM 385 CE LYS A 968 -3.874 -0.257 -11.404 1.00 0.00 C ATOM 386 NZ LYS A 968 -2.884 -0.757 -10.411 1.00 0.00 N ATOM 0 H LYS A 968 -0.811 3.905 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.153 5.277 -12.518 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.398 3.356 -13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.715 2.866 -13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.029 1.862 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.717 2.331 -10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -3.876 1.026 -13.144 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.302 0.362 -12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -4.726 0.189 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.259 -1.086 -11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -3.181 -1.692 -10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -1.950 -0.835 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -2.829 -0.094 -9.612 1.00 0.00 H new ATOM 400 N GLU A 969 -4.230 5.549 -11.076 1.00 0.00 N ATOM 401 CA GLU A 969 -5.268 5.947 -10.128 1.00 0.00 C ATOM 402 C GLU A 969 -6.234 4.802 -9.821 1.00 0.00 C ATOM 403 O GLU A 969 -6.663 4.073 -10.716 1.00 0.00 O ATOM 404 CB GLU A 969 -6.040 7.142 -10.691 1.00 0.00 C ATOM 405 CG GLU A 969 -6.710 6.748 -12.010 1.00 0.00 C ATOM 406 CD GLU A 969 -7.404 7.959 -12.622 1.00 0.00 C ATOM 407 OE1 GLU A 969 -7.472 8.977 -11.955 1.00 0.00 O ATOM 408 OE2 GLU A 969 -7.851 7.853 -13.754 1.00 0.00 O ATOM 0 H GLU A 969 -4.371 5.891 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.780 6.222 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -6.792 7.472 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -5.363 7.981 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -5.966 6.356 -12.703 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.434 5.952 -11.836 1.00 0.00 H new ATOM 415 N MET A 970 -6.580 4.670 -8.540 1.00 0.00 N ATOM 416 CA MET A 970 -7.514 3.636 -8.088 1.00 0.00 C ATOM 417 C MET A 970 -8.342 4.174 -6.925 1.00 0.00 C ATOM 418 O MET A 970 -8.063 5.255 -6.405 1.00 0.00 O ATOM 419 CB MET A 970 -6.760 2.373 -7.657 1.00 0.00 C ATOM 420 CG MET A 970 -5.543 2.757 -6.818 1.00 0.00 C ATOM 421 SD MET A 970 -4.740 1.254 -6.193 1.00 0.00 S ATOM 422 CE MET A 970 -5.205 1.418 -4.448 1.00 0.00 C ATOM 0 H MET A 970 -6.226 5.269 -7.794 1.00 0.00 H new ATOM 0 HA MET A 970 -8.174 3.372 -8.914 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.419 1.723 -7.081 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.445 1.809 -8.535 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.841 3.334 -7.420 1.00 0.00 H new ATOM 0 HG3 MET A 970 -5.847 3.392 -5.986 1.00 0.00 H new ATOM 0 HE1 MET A 970 -4.608 0.733 -3.846 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.026 2.441 -4.118 1.00 0.00 H new ATOM 0 HE3 MET A 970 -6.262 1.178 -4.329 1.00 0.00 H new ATOM 432 N THR A 971 -9.374 3.432 -6.530 1.00 0.00 N ATOM 433 CA THR A 971 -10.248 3.863 -5.437 1.00 0.00 C ATOM 434 C THR A 971 -9.785 3.315 -4.091 1.00 0.00 C ATOM 435 O THR A 971 -9.000 2.369 -4.024 1.00 0.00 O ATOM 436 CB THR A 971 -11.676 3.389 -5.705 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.695 1.972 -5.763 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.164 3.972 -7.030 1.00 0.00 C ATOM 0 H THR A 971 -9.626 2.535 -6.946 1.00 0.00 H new ATOM 0 HA THR A 971 -10.210 4.951 -5.393 1.00 0.00 H new ATOM 0 HB THR A 971 -12.334 3.725 -4.903 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.350 1.681 -6.432 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.182 3.635 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.146 5.061 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.512 3.637 -7.837 1.00 0.00 H new ATOM 446 N VAL A 972 -10.302 3.915 -3.023 1.00 0.00 N ATOM 447 CA VAL A 972 -9.975 3.498 -1.666 1.00 0.00 C ATOM 448 C VAL A 972 -10.483 2.079 -1.401 1.00 0.00 C ATOM 449 O VAL A 972 -9.791 1.259 -0.804 1.00 0.00 O ATOM 450 CB VAL A 972 -10.628 4.474 -0.672 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.635 3.873 0.748 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.839 5.789 -0.670 1.00 0.00 C ATOM 0 H VAL A 972 -10.954 4.698 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.892 3.505 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.658 4.658 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.100 4.576 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.199 2.940 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.611 3.677 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.296 6.486 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.809 5.595 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.851 6.222 -1.670 1.00 0.00 H new ATOM 462 N GLN A 973 -11.707 1.804 -1.834 1.00 0.00 N ATOM 463 CA GLN A 973 -12.302 0.495 -1.613 1.00 0.00 C ATOM 464 C GLN A 973 -11.375 -0.608 -2.127 1.00 0.00 C ATOM 465 O GLN A 973 -11.168 -1.618 -1.452 1.00 0.00 O ATOM 466 CB GLN A 973 -13.664 0.423 -2.327 1.00 0.00 C ATOM 467 CG GLN A 973 -14.783 0.903 -1.393 1.00 0.00 C ATOM 468 CD GLN A 973 -14.560 2.367 -1.029 1.00 0.00 C ATOM 469 OE1 GLN A 973 -14.376 2.693 0.145 1.00 0.00 O ATOM 470 NE2 GLN A 973 -14.569 3.276 -1.964 1.00 0.00 N ATOM 0 H GLN A 973 -12.301 2.464 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.448 0.347 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.643 1.038 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.861 -0.601 -2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -15.751 0.783 -1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.802 0.293 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -14.721 3.006 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -14.424 4.257 -1.723 1.00 0.00 H new ATOM 479 N GLN A 974 -10.818 -0.407 -3.311 1.00 0.00 N ATOM 480 CA GLN A 974 -9.915 -1.390 -3.891 1.00 0.00 C ATOM 481 C GLN A 974 -8.711 -1.598 -2.971 1.00 0.00 C ATOM 482 O GLN A 974 -8.245 -2.723 -2.793 1.00 0.00 O ATOM 483 CB GLN A 974 -9.464 -0.909 -5.281 1.00 0.00 C ATOM 484 CG GLN A 974 -10.495 -1.315 -6.349 1.00 0.00 C ATOM 485 CD GLN A 974 -11.923 -1.019 -5.887 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.620 -0.109 -6.508 1.00 0.00 O flip ATOM 487 NE2 GLN A 974 -12.419 -1.635 -4.946 1.00 0.00 N flip ATOM 0 H GLN A 974 -10.973 0.421 -3.886 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.430 -2.344 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.343 0.174 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.492 -1.338 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -10.292 -0.778 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.395 -2.378 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.875 -2.347 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.375 -1.434 -4.652 1.00 0.00 H new ATOM 496 N PHE A 975 -8.223 -0.511 -2.379 1.00 0.00 N ATOM 497 CA PHE A 975 -7.085 -0.599 -1.468 1.00 0.00 C ATOM 498 C PHE A 975 -7.442 -1.469 -0.261 1.00 0.00 C ATOM 499 O PHE A 975 -6.662 -2.330 0.147 1.00 0.00 O ATOM 500 CB PHE A 975 -6.661 0.796 -1.014 1.00 0.00 C ATOM 501 CG PHE A 975 -5.521 0.677 -0.032 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.273 0.209 -0.462 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.712 1.030 1.310 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.218 0.098 0.450 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.656 0.918 2.219 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.410 0.452 1.791 1.00 0.00 C ATOM 0 H PHE A 975 -8.592 0.431 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.249 -1.060 -1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.355 1.393 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.502 1.312 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.125 -0.066 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.675 1.389 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.255 -0.261 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.803 1.192 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.595 0.365 2.495 1.00 0.00 H new ATOM 516 N LEU A 976 -8.634 -1.250 0.291 1.00 0.00 N ATOM 517 CA LEU A 976 -9.094 -2.035 1.436 1.00 0.00 C ATOM 518 C LEU A 976 -9.201 -3.508 1.041 1.00 0.00 C ATOM 519 O LEU A 976 -8.869 -4.397 1.819 1.00 0.00 O ATOM 520 CB LEU A 976 -10.465 -1.514 1.917 1.00 0.00 C ATOM 521 CG LEU A 976 -10.302 -0.420 2.984 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.302 0.644 2.516 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.669 0.219 3.250 1.00 0.00 C ATOM 0 H LEU A 976 -9.294 -0.542 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.376 -1.935 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -11.024 -1.118 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.048 -2.340 2.325 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.917 -0.864 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -9.200 1.410 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.333 0.179 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.662 1.101 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.566 0.997 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -12.051 0.657 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -12.364 -0.542 3.605 1.00 0.00 H new ATOM 535 N ASP A 977 -9.666 -3.772 -0.166 1.00 0.00 N ATOM 536 CA ASP A 977 -9.781 -5.150 -0.610 1.00 0.00 C ATOM 537 C ASP A 977 -8.391 -5.764 -0.755 1.00 0.00 C ATOM 538 O ASP A 977 -8.182 -6.944 -0.461 1.00 0.00 O ATOM 539 CB ASP A 977 -10.522 -5.216 -1.949 1.00 0.00 C ATOM 540 CG ASP A 977 -10.907 -6.658 -2.259 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.540 -7.528 -1.485 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.551 -6.874 -3.273 1.00 0.00 O ATOM 0 H ASP A 977 -9.964 -3.070 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.347 -5.713 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.415 -4.592 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.890 -4.820 -2.744 1.00 0.00 H new ATOM 547 N LEU A 978 -7.440 -4.945 -1.210 1.00 0.00 N ATOM 548 CA LEU A 978 -6.067 -5.399 -1.404 1.00 0.00 C ATOM 549 C LEU A 978 -5.412 -5.793 -0.084 1.00 0.00 C ATOM 550 O LEU A 978 -4.784 -6.849 0.010 1.00 0.00 O ATOM 551 CB LEU A 978 -5.255 -4.287 -2.085 1.00 0.00 C ATOM 552 CG LEU A 978 -3.763 -4.652 -2.150 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.571 -5.971 -2.902 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.016 -3.537 -2.887 1.00 0.00 C ATOM 0 H LEU A 978 -7.598 -3.966 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.086 -6.286 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.636 -4.119 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.381 -3.353 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.374 -4.765 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.510 -6.217 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.109 -6.766 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -3.957 -5.871 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.955 -3.783 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.416 -3.436 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.144 -2.597 -2.350 1.00 0.00 H new ATOM 566 N LYS A 979 -5.551 -4.949 0.932 1.00 0.00 N ATOM 567 CA LYS A 979 -4.953 -5.242 2.219 1.00 0.00 C ATOM 568 C LYS A 979 -5.683 -6.407 2.876 1.00 0.00 C ATOM 569 O LYS A 979 -5.066 -7.330 3.379 1.00 0.00 O ATOM 570 CB LYS A 979 -4.978 -3.979 3.100 1.00 0.00 C ATOM 571 CG LYS A 979 -6.340 -3.807 3.764 1.00 0.00 C ATOM 572 CD LYS A 979 -6.407 -2.448 4.452 1.00 0.00 C ATOM 573 CE LYS A 979 -7.676 -2.375 5.302 1.00 0.00 C ATOM 574 NZ LYS A 979 -7.772 -1.033 5.941 1.00 0.00 N ATOM 0 H LYS A 979 -6.066 -4.070 0.887 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.912 -5.537 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.203 -4.047 3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.751 -3.102 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.132 -3.888 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.504 -4.602 4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.527 -2.301 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.407 -1.651 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -8.553 -2.557 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -7.660 -3.152 6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -8.635 -0.985 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -6.941 -0.877 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -7.807 -0.300 5.205 1.00 0.00 H new ATOM 588 N GLU A 980 -7.005 -6.371 2.855 1.00 0.00 N ATOM 589 CA GLU A 980 -7.770 -7.451 3.459 1.00 0.00 C ATOM 590 C GLU A 980 -7.279 -8.800 2.937 1.00 0.00 C ATOM 591 O GLU A 980 -6.971 -9.706 3.713 1.00 0.00 O ATOM 592 CB GLU A 980 -9.256 -7.290 3.131 1.00 0.00 C ATOM 593 CG GLU A 980 -10.061 -8.365 3.866 1.00 0.00 C ATOM 594 CD GLU A 980 -11.551 -8.164 3.614 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.913 -7.096 3.147 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.308 -9.081 3.890 1.00 0.00 O ATOM 0 H GLU A 980 -7.561 -5.625 2.437 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.632 -7.411 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.599 -6.298 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.413 -7.375 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.757 -9.355 3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.855 -8.318 4.935 1.00 0.00 H new ATOM 603 N ARG A 981 -7.206 -8.930 1.615 1.00 0.00 N ATOM 604 CA ARG A 981 -6.760 -10.181 1.004 1.00 0.00 C ATOM 605 C ARG A 981 -5.319 -10.516 1.395 1.00 0.00 C ATOM 606 O ARG A 981 -5.022 -11.650 1.769 1.00 0.00 O ATOM 607 CB ARG A 981 -6.857 -10.070 -0.518 1.00 0.00 C ATOM 608 CG ARG A 981 -8.333 -10.076 -0.948 1.00 0.00 C ATOM 609 CD ARG A 981 -8.948 -11.483 -0.803 1.00 0.00 C ATOM 610 NE ARG A 981 -9.571 -11.633 0.508 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.281 -12.715 0.808 1.00 0.00 C ATOM 612 NH1 ARG A 981 -10.448 -13.655 -0.084 1.00 0.00 N ATOM 613 NH2 ARG A 981 -10.813 -12.839 1.993 1.00 0.00 N ATOM 0 H ARG A 981 -7.447 -8.194 0.951 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.406 -10.980 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.374 -9.153 -0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.329 -10.900 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.895 -9.366 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.415 -9.745 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -9.689 -11.645 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -8.175 -12.240 -0.934 1.00 0.00 H new ATOM 0 HE ARG A 981 -9.460 -10.896 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -10.033 -13.558 -1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -10.993 -14.486 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -10.684 -12.105 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -11.358 -13.670 2.223 1.00 0.00 H new ATOM 627 N ALA A 982 -4.426 -9.537 1.300 1.00 0.00 N ATOM 628 CA ALA A 982 -3.021 -9.769 1.639 1.00 0.00 C ATOM 629 C ALA A 982 -2.853 -10.134 3.099 1.00 0.00 C ATOM 630 O ALA A 982 -2.160 -11.090 3.439 1.00 0.00 O ATOM 631 CB ALA A 982 -2.198 -8.519 1.360 1.00 0.00 C ATOM 0 H ALA A 982 -4.642 -8.588 0.996 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.675 -10.598 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.155 -8.705 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.272 -8.263 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.577 -7.692 1.961 1.00 0.00 H new ATOM 637 N LEU A 983 -3.473 -9.350 3.959 1.00 0.00 N ATOM 638 CA LEU A 983 -3.370 -9.582 5.379 1.00 0.00 C ATOM 639 C LEU A 983 -3.995 -10.932 5.733 1.00 0.00 C ATOM 640 O LEU A 983 -3.625 -11.558 6.724 1.00 0.00 O ATOM 641 CB LEU A 983 -4.048 -8.437 6.159 1.00 0.00 C ATOM 642 CG LEU A 983 -3.057 -7.284 6.407 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.419 -6.814 5.095 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.802 -6.114 7.053 1.00 0.00 C ATOM 0 H LEU A 983 -4.050 -8.551 3.697 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.318 -9.605 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.908 -8.069 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.423 -8.812 7.111 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.266 -7.642 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.724 -6.000 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.881 -7.643 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.197 -6.465 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -3.107 -5.294 7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.597 -5.777 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.234 -6.436 8.001 1.00 0.00 H new ATOM 656 N SER A 984 -4.941 -11.375 4.905 1.00 0.00 N ATOM 657 CA SER A 984 -5.605 -12.653 5.140 1.00 0.00 C ATOM 658 C SER A 984 -4.717 -13.807 4.673 1.00 0.00 C ATOM 659 O SER A 984 -5.073 -14.975 4.826 1.00 0.00 O ATOM 660 CB SER A 984 -6.937 -12.709 4.392 1.00 0.00 C ATOM 661 OG SER A 984 -6.689 -12.826 2.997 1.00 0.00 O ATOM 0 H SER A 984 -5.260 -10.874 4.076 1.00 0.00 H new ATOM 0 HA SER A 984 -5.789 -12.748 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.527 -13.557 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.519 -11.810 4.595 1.00 0.00 H new ATOM 0 HG SER A 984 -5.818 -12.431 2.785 1.00 0.00 H new ATOM 667 N GLY A 985 -3.546 -13.469 4.128 1.00 0.00 N ATOM 668 CA GLY A 985 -2.595 -14.483 3.667 1.00 0.00 C ATOM 669 C GLY A 985 -2.764 -14.804 2.182 1.00 0.00 C ATOM 670 O GLY A 985 -2.420 -15.900 1.738 1.00 0.00 O ATOM 0 H GLY A 985 -3.235 -12.507 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.579 -14.133 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.727 -15.394 4.251 1.00 0.00 H new ATOM 674 N ALA A 986 -3.284 -13.850 1.416 1.00 0.00 N ATOM 675 CA ALA A 986 -3.471 -14.063 -0.017 1.00 0.00 C ATOM 676 C ALA A 986 -2.127 -14.168 -0.717 1.00 0.00 C ATOM 677 O ALA A 986 -1.183 -13.457 -0.375 1.00 0.00 O ATOM 678 CB ALA A 986 -4.252 -12.909 -0.629 1.00 0.00 C ATOM 0 H ALA A 986 -3.580 -12.935 1.756 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.027 -14.992 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.382 -13.084 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.229 -12.837 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.705 -11.979 -0.478 1.00 0.00 H new ATOM 684 N SER A 987 -2.041 -15.057 -1.704 1.00 0.00 N ATOM 685 CA SER A 987 -0.797 -15.237 -2.448 1.00 0.00 C ATOM 686 C SER A 987 -0.832 -14.481 -3.771 1.00 0.00 C ATOM 687 O SER A 987 0.176 -14.403 -4.473 1.00 0.00 O ATOM 688 CB SER A 987 -0.559 -16.725 -2.717 1.00 0.00 C ATOM 689 OG SER A 987 -0.383 -17.406 -1.481 1.00 0.00 O ATOM 0 H SER A 987 -2.809 -15.658 -2.005 1.00 0.00 H new ATOM 0 HA SER A 987 0.017 -14.838 -1.843 1.00 0.00 H new ATOM 0 HB2 SER A 987 -1.404 -17.147 -3.260 1.00 0.00 H new ATOM 0 HB3 SER A 987 0.322 -16.856 -3.346 1.00 0.00 H new ATOM 0 HG SER A 987 -0.232 -18.359 -1.651 1.00 0.00 H new ATOM 695 N ASP A 988 -1.990 -13.919 -4.104 1.00 0.00 N ATOM 696 CA ASP A 988 -2.128 -13.163 -5.350 1.00 0.00 C ATOM 697 C ASP A 988 -0.895 -12.279 -5.560 1.00 0.00 C ATOM 698 O ASP A 988 -0.285 -11.841 -4.587 1.00 0.00 O ATOM 699 CB ASP A 988 -3.383 -12.288 -5.289 1.00 0.00 C ATOM 700 CG ASP A 988 -4.630 -13.159 -5.384 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.564 -14.298 -4.953 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.632 -12.676 -5.885 1.00 0.00 O ATOM 0 H ASP A 988 -2.838 -13.970 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.216 -13.861 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.396 -11.720 -4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.372 -11.564 -6.104 1.00 0.00 H new ATOM 707 N PRO A 989 -0.509 -12.008 -6.784 1.00 0.00 N ATOM 708 CA PRO A 989 0.692 -11.162 -7.061 1.00 0.00 C ATOM 709 C PRO A 989 0.540 -9.778 -6.442 1.00 0.00 C ATOM 710 O PRO A 989 1.515 -9.155 -6.022 1.00 0.00 O ATOM 711 CB PRO A 989 0.756 -11.100 -8.601 1.00 0.00 C ATOM 712 CG PRO A 989 -0.616 -11.474 -9.067 1.00 0.00 C ATOM 713 CD PRO A 989 -1.157 -12.453 -8.029 1.00 0.00 C ATOM 0 HA PRO A 989 1.607 -11.568 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.030 -10.102 -8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.506 -11.788 -8.992 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.255 -10.595 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.582 -11.932 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.244 -12.406 -7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -0.898 -13.483 -8.273 1.00 0.00 H new ATOM 721 N ASP A 990 -0.696 -9.316 -6.370 1.00 0.00 N ATOM 722 CA ASP A 990 -0.979 -8.020 -5.777 1.00 0.00 C ATOM 723 C ASP A 990 -0.678 -8.048 -4.278 1.00 0.00 C ATOM 724 O ASP A 990 -0.179 -7.075 -3.717 1.00 0.00 O ATOM 725 CB ASP A 990 -2.442 -7.644 -6.016 1.00 0.00 C ATOM 726 CG ASP A 990 -2.648 -7.281 -7.485 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.658 -7.175 -8.189 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.788 -7.104 -7.878 1.00 0.00 O ATOM 0 H ASP A 990 -1.516 -9.816 -6.713 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.342 -7.271 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -3.091 -8.476 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.719 -6.802 -5.381 1.00 0.00 H new ATOM 733 N SER A 991 -0.997 -9.171 -3.630 1.00 0.00 N ATOM 734 CA SER A 991 -0.768 -9.315 -2.194 1.00 0.00 C ATOM 735 C SER A 991 0.716 -9.391 -1.849 1.00 0.00 C ATOM 736 O SER A 991 1.193 -8.648 -0.992 1.00 0.00 O ATOM 737 CB SER A 991 -1.470 -10.566 -1.675 1.00 0.00 C ATOM 738 OG SER A 991 -0.890 -10.943 -0.435 1.00 0.00 O ATOM 0 H SER A 991 -1.412 -9.989 -4.076 1.00 0.00 H new ATOM 0 HA SER A 991 -1.178 -8.426 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.536 -10.374 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.375 -11.377 -2.397 1.00 0.00 H new ATOM 0 HG SER A 991 -0.974 -11.912 -0.316 1.00 0.00 H new ATOM 744 N GLN A 992 1.446 -10.287 -2.504 1.00 0.00 N ATOM 745 CA GLN A 992 2.868 -10.413 -2.216 1.00 0.00 C ATOM 746 C GLN A 992 3.574 -9.110 -2.577 1.00 0.00 C ATOM 747 O GLN A 992 4.462 -8.653 -1.856 1.00 0.00 O ATOM 748 CB GLN A 992 3.487 -11.599 -2.979 1.00 0.00 C ATOM 749 CG GLN A 992 2.866 -11.719 -4.382 1.00 0.00 C ATOM 750 CD GLN A 992 3.849 -12.382 -5.345 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.434 -13.417 -5.023 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.075 -11.841 -6.510 1.00 0.00 N ATOM 0 H GLN A 992 1.089 -10.921 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 992 2.996 -10.608 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.565 -11.463 -3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.324 -12.522 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.947 -12.303 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.595 -10.730 -4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 992 3.591 -10.984 -6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 992 4.736 -12.275 -7.154 1.00 0.00 H new ATOM 761 N ARG A 993 3.151 -8.498 -3.680 1.00 0.00 N ATOM 762 CA ARG A 993 3.731 -7.229 -4.099 1.00 0.00 C ATOM 763 C ARG A 993 3.428 -6.156 -3.060 1.00 0.00 C ATOM 764 O ARG A 993 4.270 -5.314 -2.759 1.00 0.00 O ATOM 765 CB ARG A 993 3.173 -6.814 -5.464 1.00 0.00 C ATOM 766 CG ARG A 993 3.793 -7.682 -6.577 1.00 0.00 C ATOM 767 CD ARG A 993 5.122 -7.075 -7.046 1.00 0.00 C ATOM 768 NE ARG A 993 4.919 -5.703 -7.501 1.00 0.00 N ATOM 769 CZ ARG A 993 5.917 -4.824 -7.522 1.00 0.00 C ATOM 770 NH1 ARG A 993 7.110 -5.181 -7.127 1.00 0.00 N ATOM 771 NH2 ARG A 993 5.708 -3.605 -7.936 1.00 0.00 N ATOM 0 H ARG A 993 2.418 -8.856 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 993 4.811 -7.346 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.088 -6.922 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.390 -5.762 -5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 993 3.957 -8.695 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.102 -7.756 -7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.845 -7.092 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 993 5.539 -7.676 -7.854 1.00 0.00 H new ATOM 0 HE ARG A 993 3.991 -5.412 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 993 7.276 -6.134 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 993 7.875 -4.507 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 993 4.777 -3.324 -8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 993 6.475 -2.933 -7.951 1.00 0.00 H new ATOM 785 N TYR A 994 2.221 -6.202 -2.502 1.00 0.00 N ATOM 786 CA TYR A 994 1.830 -5.236 -1.480 1.00 0.00 C ATOM 787 C TYR A 994 2.751 -5.363 -0.271 1.00 0.00 C ATOM 788 O TYR A 994 3.243 -4.364 0.260 1.00 0.00 O ATOM 789 CB TYR A 994 0.372 -5.471 -1.061 1.00 0.00 C ATOM 790 CG TYR A 994 0.030 -4.587 0.119 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.003 -3.196 -0.034 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.256 -5.159 1.366 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.311 -2.378 1.060 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.570 -4.341 2.457 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.599 -2.950 2.304 1.00 0.00 C ATOM 796 OH TYR A 994 -0.908 -2.145 3.381 1.00 0.00 O ATOM 0 H TYR A 994 1.505 -6.889 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 994 1.917 -4.230 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.295 -5.254 -1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.224 -6.518 -0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.224 -2.753 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.234 -6.232 1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.331 -1.305 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.790 -4.783 3.417 1.00 0.00 H new ATOM 0 HH TYR A 994 -0.623 -1.226 3.195 1.00 0.00 H new ATOM 806 N ASN A 995 2.997 -6.599 0.151 1.00 0.00 N ATOM 807 CA ASN A 995 3.877 -6.835 1.285 1.00 0.00 C ATOM 808 C ASN A 995 5.270 -6.320 0.957 1.00 0.00 C ATOM 809 O ASN A 995 5.928 -5.697 1.793 1.00 0.00 O ATOM 810 CB ASN A 995 3.935 -8.330 1.605 1.00 0.00 C ATOM 811 CG ASN A 995 2.606 -8.782 2.199 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.118 -8.185 3.160 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.981 -9.805 1.680 1.00 0.00 N ATOM 0 H ASN A 995 2.604 -7.441 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 995 3.490 -6.307 2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.151 -8.897 0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.745 -8.530 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.089 -10.109 2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.385 -10.299 0.884 1.00 0.00 H new ATOM 820 N ALA A 996 5.709 -6.555 -0.274 1.00 0.00 N ATOM 821 CA ALA A 996 7.014 -6.076 -0.692 1.00 0.00 C ATOM 822 C ALA A 996 7.023 -4.560 -0.667 1.00 0.00 C ATOM 823 O ALA A 996 7.979 -3.945 -0.224 1.00 0.00 O ATOM 824 CB ALA A 996 7.329 -6.535 -2.108 1.00 0.00 C ATOM 0 H ALA A 996 5.188 -7.066 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 996 7.762 -6.478 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.312 -6.165 -2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.326 -7.624 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.576 -6.145 -2.793 1.00 0.00 H new ATOM 830 N TRP A 997 5.953 -3.957 -1.150 1.00 0.00 N ATOM 831 CA TRP A 997 5.879 -2.509 -1.171 1.00 0.00 C ATOM 832 C TRP A 997 6.124 -1.984 0.235 1.00 0.00 C ATOM 833 O TRP A 997 6.858 -1.015 0.425 1.00 0.00 O ATOM 834 CB TRP A 997 4.513 -2.047 -1.678 1.00 0.00 C ATOM 835 CG TRP A 997 4.430 -0.558 -1.593 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.085 0.298 -2.412 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.666 0.266 -0.667 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.771 1.594 -2.048 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.899 1.627 -0.981 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.801 -0.032 0.402 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.297 2.653 -0.258 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.193 1.004 1.130 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.440 2.344 0.799 1.00 0.00 C ATOM 0 H TRP A 997 5.136 -4.438 -1.527 1.00 0.00 H new ATOM 0 HA TRP A 997 6.638 -2.118 -1.848 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.366 -2.372 -2.708 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.720 -2.501 -1.084 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.745 0.015 -3.218 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.139 2.424 -2.512 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.604 -1.061 0.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.492 3.684 -0.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.531 0.767 1.950 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.968 3.136 1.361 1.00 0.00 H new ATOM 854 N LEU A 998 5.541 -2.658 1.221 1.00 0.00 N ATOM 855 CA LEU A 998 5.756 -2.263 2.605 1.00 0.00 C ATOM 856 C LEU A 998 7.230 -2.433 2.940 1.00 0.00 C ATOM 857 O LEU A 998 7.820 -1.606 3.633 1.00 0.00 O ATOM 858 CB LEU A 998 4.903 -3.110 3.555 1.00 0.00 C ATOM 859 CG LEU A 998 3.421 -2.739 3.412 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.582 -3.729 4.227 1.00 0.00 C ATOM 861 CD2 LEU A 998 3.172 -1.297 3.920 1.00 0.00 C ATOM 0 H LEU A 998 4.929 -3.463 1.091 1.00 0.00 H new ATOM 0 HA LEU A 998 5.461 -1.221 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 998 5.043 -4.168 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 998 5.227 -2.953 4.584 1.00 0.00 H new ATOM 0 HG LEU A 998 3.137 -2.787 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.526 -3.475 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.747 -4.740 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.875 -3.678 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 998 2.116 -1.050 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.455 -1.227 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.770 -0.597 3.336 1.00 0.00 H new ATOM 873 N GLU A 999 7.826 -3.505 2.426 1.00 0.00 N ATOM 874 CA GLU A 999 9.241 -3.764 2.663 1.00 0.00 C ATOM 875 C GLU A 999 10.084 -2.645 2.045 1.00 0.00 C ATOM 876 O GLU A 999 11.014 -2.140 2.677 1.00 0.00 O ATOM 877 CB GLU A 999 9.637 -5.128 2.073 1.00 0.00 C ATOM 878 CG GLU A 999 11.126 -5.387 2.316 1.00 0.00 C ATOM 879 CD GLU A 999 11.492 -6.782 1.822 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.672 -7.384 1.150 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.587 -7.227 2.121 1.00 0.00 O ATOM 0 H GLU A 999 7.356 -4.202 1.848 1.00 0.00 H new ATOM 0 HA GLU A 999 9.425 -3.788 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 999 9.042 -5.919 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.425 -5.147 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.725 -4.638 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.352 -5.296 3.378 1.00 0.00 H new ATOM 888 N LEU A1000 9.740 -2.241 0.821 1.00 0.00 N ATOM 889 CA LEU A1000 10.471 -1.168 0.157 1.00 0.00 C ATOM 890 C LEU A1000 10.339 0.096 0.992 1.00 0.00 C ATOM 891 O LEU A1000 11.303 0.828 1.214 1.00 0.00 O ATOM 892 CB LEU A1000 9.889 -0.895 -1.235 1.00 0.00 C ATOM 893 CG LEU A1000 9.990 -2.141 -2.124 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.409 -1.825 -3.509 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.454 -2.588 -2.261 1.00 0.00 C ATOM 0 H LEU A1000 8.971 -2.635 0.279 1.00 0.00 H new ATOM 0 HA LEU A1000 11.515 -1.463 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.846 -0.591 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.423 -0.067 -1.701 1.00 0.00 H new ATOM 0 HG LEU A1000 9.424 -2.951 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.479 -2.709 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.364 -1.534 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.971 -1.008 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.506 -3.473 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.039 -1.785 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.856 -2.823 -1.276 1.00 0.00 H new ATOM 907 N ARG A1001 9.135 0.330 1.481 1.00 0.00 N ATOM 908 CA ARG A1001 8.892 1.482 2.315 1.00 0.00 C ATOM 909 C ARG A1001 9.752 1.400 3.556 1.00 0.00 C ATOM 910 O ARG A1001 10.346 2.380 3.990 1.00 0.00 O ATOM 911 CB ARG A1001 7.420 1.525 2.705 1.00 0.00 C ATOM 912 CG ARG A1001 7.192 2.640 3.717 1.00 0.00 C ATOM 913 CD ARG A1001 5.693 2.929 3.825 1.00 0.00 C ATOM 914 NE ARG A1001 5.447 3.974 4.811 1.00 0.00 N ATOM 915 CZ ARG A1001 4.271 4.591 4.876 1.00 0.00 C ATOM 916 NH1 ARG A1001 3.324 4.279 4.033 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.066 5.513 5.776 1.00 0.00 N ATOM 0 H ARG A1001 8.319 -0.259 1.314 1.00 0.00 H new ATOM 0 HA ARG A1001 9.144 2.389 1.766 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.804 1.691 1.821 1.00 0.00 H new ATOM 0 HB3 ARG A1001 7.118 0.568 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.589 2.350 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.726 3.539 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A1001 5.305 3.237 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A1001 5.160 2.021 4.108 1.00 0.00 H new ATOM 0 HE ARG A1001 6.188 4.236 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A1001 3.487 3.563 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A1001 2.421 4.752 4.082 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.808 5.761 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A1001 3.164 5.986 5.825 1.00 0.00 H new ATOM 931 N ALA A1002 9.817 0.210 4.111 1.00 0.00 N ATOM 932 CA ALA A1002 10.614 -0.009 5.295 1.00 0.00 C ATOM 933 C ALA A1002 12.037 0.442 5.022 1.00 0.00 C ATOM 934 O ALA A1002 12.713 0.975 5.900 1.00 0.00 O ATOM 935 CB ALA A1002 10.591 -1.491 5.683 1.00 0.00 C ATOM 0 H ALA A1002 9.330 -0.616 3.763 1.00 0.00 H new ATOM 0 HA ALA A1002 10.202 0.567 6.124 1.00 0.00 H new ATOM 0 HB1 ALA A1002 11.196 -1.642 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.565 -1.799 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.996 -2.087 4.866 1.00 0.00 H new ATOM 941 N LYS A1003 12.483 0.236 3.784 1.00 0.00 N ATOM 942 CA LYS A1003 13.833 0.649 3.412 1.00 0.00 C ATOM 943 C LYS A1003 13.931 2.169 3.425 1.00 0.00 C ATOM 944 O LYS A1003 14.915 2.731 3.907 1.00 0.00 O ATOM 945 CB LYS A1003 14.228 0.124 2.027 1.00 0.00 C ATOM 946 CG LYS A1003 14.227 -1.402 2.038 1.00 0.00 C ATOM 947 CD LYS A1003 14.768 -1.920 0.703 1.00 0.00 C ATOM 948 CE LYS A1003 14.787 -3.449 0.712 1.00 0.00 C ATOM 949 NZ LYS A1003 15.863 -3.926 1.627 1.00 0.00 N ATOM 0 H LYS A1003 11.944 -0.204 3.038 1.00 0.00 H new ATOM 0 HA LYS A1003 14.521 0.224 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.531 0.493 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A1003 15.216 0.495 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A1003 14.841 -1.771 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.216 -1.775 2.203 1.00 0.00 H new ATOM 0 HD2 LYS A1003 14.146 -1.559 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.774 -1.535 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A1003 13.821 -3.834 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A1003 14.957 -3.827 -0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 16.050 -4.933 1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 16.730 -3.378 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.560 -3.800 2.614 1.00 0.00 H new ATOM 963 N ARG A1004 12.896 2.840 2.895 1.00 0.00 N ATOM 964 CA ARG A1004 12.882 4.310 2.857 1.00 0.00 C ATOM 965 C ARG A1004 11.944 4.897 3.914 1.00 0.00 C ATOM 966 O ARG A1004 10.740 4.654 3.913 1.00 0.00 O ATOM 967 CB ARG A1004 12.489 4.807 1.453 1.00 0.00 C ATOM 968 CG ARG A1004 11.142 4.234 1.005 1.00 0.00 C ATOM 969 CD ARG A1004 10.824 4.771 -0.395 1.00 0.00 C ATOM 970 NE ARG A1004 11.754 4.213 -1.373 1.00 0.00 N ATOM 971 CZ ARG A1004 11.501 3.067 -2.000 1.00 0.00 C ATOM 972 NH1 ARG A1004 10.387 2.425 -1.771 1.00 0.00 N ATOM 973 NH2 ARG A1004 12.365 2.585 -2.852 1.00 0.00 N ATOM 0 H ARG A1004 12.070 2.396 2.493 1.00 0.00 H new ATOM 0 HA ARG A1004 13.890 4.655 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A1004 12.439 5.896 1.453 1.00 0.00 H new ATOM 0 HB3 ARG A1004 13.261 4.524 0.738 1.00 0.00 H new ATOM 0 HG2 ARG A1004 11.179 3.145 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.358 4.518 1.707 1.00 0.00 H new ATOM 0 HD2 ARG A1004 9.801 4.513 -0.667 1.00 0.00 H new ATOM 0 HD3 ARG A1004 10.890 5.859 -0.399 1.00 0.00 H new ATOM 0 HE ARG A1004 12.618 4.714 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A1004 9.708 2.802 -1.110 1.00 0.00 H new ATOM 0 HH12 ARG A1004 10.196 1.547 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A1004 13.234 3.087 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A1004 12.171 1.707 -3.333 1.00 0.00 H new ATOM 987 N LEU A1005 12.517 5.679 4.828 1.00 0.00 N ATOM 988 CA LEU A1005 11.738 6.301 5.898 1.00 0.00 C ATOM 989 C LEU A1005 11.313 7.712 5.498 1.00 0.00 C ATOM 990 O LEU A1005 12.118 8.496 4.997 1.00 0.00 O ATOM 991 CB LEU A1005 12.578 6.358 7.183 1.00 0.00 C ATOM 992 CG LEU A1005 12.569 4.993 7.877 1.00 0.00 C ATOM 993 CD1 LEU A1005 13.202 3.940 6.961 1.00 0.00 C ATOM 994 CD2 LEU A1005 13.362 5.085 9.183 1.00 0.00 C ATOM 0 H LEU A1005 13.513 5.896 4.849 1.00 0.00 H new ATOM 0 HA LEU A1005 10.844 5.703 6.073 1.00 0.00 H new ATOM 0 HB2 LEU A1005 13.602 6.647 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A1005 12.179 7.119 7.854 1.00 0.00 H new ATOM 0 HG LEU A1005 11.541 4.703 8.094 1.00 0.00 H new ATOM 0 HD11 LEU A1005 13.193 2.971 7.460 1.00 0.00 H new ATOM 0 HD12 LEU A1005 12.634 3.876 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A1005 14.231 4.223 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A1005 13.358 4.115 9.680 1.00 0.00 H new ATOM 0 HD22 LEU A1005 14.389 5.377 8.965 1.00 0.00 H new ATOM 0 HD23 LEU A1005 12.904 5.829 9.835 1.00 0.00 H new ATOM 1006 N SER A1006 10.042 8.031 5.730 1.00 0.00 N ATOM 1007 CA SER A1006 9.525 9.353 5.394 1.00 0.00 C ATOM 1008 C SER A1006 9.835 9.702 3.941 1.00 0.00 C ATOM 1009 O SER A1006 9.504 8.907 3.077 1.00 0.00 O ATOM 1010 CB SER A1006 10.143 10.403 6.316 1.00 0.00 C ATOM 1011 OG SER A1006 10.108 9.928 7.657 1.00 0.00 O ATOM 0 H SER A1006 9.358 7.399 6.145 1.00 0.00 H new ATOM 0 HA SER A1006 8.443 9.342 5.527 1.00 0.00 H new ATOM 0 HB2 SER A1006 11.171 10.607 6.017 1.00 0.00 H new ATOM 0 HB3 SER A1006 9.595 11.342 6.236 1.00 0.00 H new ATOM 0 HG SER A1006 10.505 10.598 8.252 1.00 0.00 H new TER 1017 SER A1006