USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=10 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 -150:sc= -1.51! USER MOD Set 1.2: A 974 GLN : amide:sc= -10.5! C(o=-12!,f=-13!) USER MOD Single : A 947 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= 0.241 K(o=0.24,f=-1.2) USER MOD Single : A 968 LYS NZ :NH3+ -141:sc= -0.517 (180deg=-2.86!) USER MOD Single : A 970 MET CE :methyl -160:sc= -0.19 (180deg=-2!) USER MOD Single : A 973 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot -7:sc= 0.803! USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -164:sc= 1.16 USER MOD Single : A 992 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.62) USER MOD Single : A 994 TYR OH : rot 180:sc= 0 USER MOD Single : A 995 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.45) USER MOD Single : A1003 LYS NZ :NH3+ 160:sc= -0.0589 (180deg=-0.519) USER MOD Single : A1006 SER OG : rot 39:sc= 0.0339 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -22.219 11.216 4.385 1.00 0.00 N ATOM 2 CA GLY A 945 -22.722 10.264 5.415 1.00 0.00 C ATOM 3 C GLY A 945 -22.032 8.917 5.240 1.00 0.00 C ATOM 4 O GLY A 945 -21.133 8.564 6.006 1.00 0.00 O ATOM 0 HA2 GLY A 945 -22.530 10.656 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -23.802 10.147 5.321 1.00 0.00 H new ATOM 7 N ALA A 946 -22.456 8.169 4.226 1.00 0.00 N ATOM 8 CA ALA A 946 -21.875 6.860 3.953 1.00 0.00 C ATOM 9 C ALA A 946 -20.412 7.003 3.540 1.00 0.00 C ATOM 10 O ALA A 946 -20.032 7.982 2.901 1.00 0.00 O ATOM 11 CB ALA A 946 -22.655 6.173 2.828 1.00 0.00 C ATOM 0 H ALA A 946 -23.197 8.446 3.582 1.00 0.00 H new ATOM 0 HA ALA A 946 -21.931 6.258 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -22.218 5.195 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -23.695 6.050 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -22.608 6.784 1.927 1.00 0.00 H new ATOM 17 N MET A 947 -19.594 6.021 3.910 1.00 0.00 N ATOM 18 CA MET A 947 -18.171 6.057 3.570 1.00 0.00 C ATOM 19 C MET A 947 -17.606 7.462 3.766 1.00 0.00 C ATOM 20 O MET A 947 -16.602 7.832 3.156 1.00 0.00 O ATOM 21 CB MET A 947 -17.970 5.619 2.119 1.00 0.00 C ATOM 22 CG MET A 947 -18.249 4.119 1.996 1.00 0.00 C ATOM 23 SD MET A 947 -18.096 3.610 0.266 1.00 0.00 S ATOM 24 CE MET A 947 -19.812 3.933 -0.212 1.00 0.00 C ATOM 0 H MET A 947 -19.885 5.199 4.439 1.00 0.00 H new ATOM 0 HA MET A 947 -17.641 5.372 4.232 1.00 0.00 H new ATOM 0 HB2 MET A 947 -18.637 6.179 1.463 1.00 0.00 H new ATOM 0 HB3 MET A 947 -16.951 5.838 1.800 1.00 0.00 H new ATOM 0 HG2 MET A 947 -17.548 3.557 2.614 1.00 0.00 H new ATOM 0 HG3 MET A 947 -19.250 3.894 2.364 1.00 0.00 H new ATOM 0 HE1 MET A 947 -19.950 3.684 -1.264 1.00 0.00 H new ATOM 0 HE2 MET A 947 -20.480 3.322 0.396 1.00 0.00 H new ATOM 0 HE3 MET A 947 -20.041 4.987 -0.055 1.00 0.00 H new ATOM 34 N ALA A 948 -18.262 8.235 4.625 1.00 0.00 N ATOM 35 CA ALA A 948 -17.830 9.598 4.909 1.00 0.00 C ATOM 36 C ALA A 948 -16.602 9.598 5.813 1.00 0.00 C ATOM 37 O ALA A 948 -16.105 10.654 6.202 1.00 0.00 O ATOM 38 CB ALA A 948 -18.965 10.366 5.592 1.00 0.00 C ATOM 0 H ALA A 948 -19.094 7.941 5.136 1.00 0.00 H new ATOM 0 HA ALA A 948 -17.571 10.082 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -18.639 11.385 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -19.834 10.392 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -19.231 9.869 6.525 1.00 0.00 H new ATOM 44 N ILE A 949 -16.129 8.405 6.161 1.00 0.00 N ATOM 45 CA ILE A 949 -14.969 8.280 7.033 1.00 0.00 C ATOM 46 C ILE A 949 -13.742 8.873 6.356 1.00 0.00 C ATOM 47 O ILE A 949 -12.952 9.580 6.980 1.00 0.00 O ATOM 48 CB ILE A 949 -14.698 6.807 7.352 1.00 0.00 C ATOM 49 CG1 ILE A 949 -15.981 6.129 7.856 1.00 0.00 C ATOM 50 CG2 ILE A 949 -13.622 6.715 8.437 1.00 0.00 C ATOM 51 CD1 ILE A 949 -16.597 6.920 9.018 1.00 0.00 C ATOM 0 H ILE A 949 -16.529 7.518 5.855 1.00 0.00 H new ATOM 0 HA ILE A 949 -15.176 8.819 7.958 1.00 0.00 H new ATOM 0 HB ILE A 949 -14.360 6.304 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -16.701 6.052 7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -15.757 5.113 8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -13.426 5.668 8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -12.706 7.186 8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -13.967 7.226 9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -17.504 6.420 9.358 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -15.883 6.974 9.840 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -16.842 7.928 8.683 1.00 0.00 H new ATOM 63 N ALA A 950 -13.592 8.569 5.074 1.00 0.00 N ATOM 64 CA ALA A 950 -12.464 9.073 4.309 1.00 0.00 C ATOM 65 C ALA A 950 -11.147 8.582 4.902 1.00 0.00 C ATOM 66 O ALA A 950 -10.105 9.213 4.724 1.00 0.00 O ATOM 67 CB ALA A 950 -12.491 10.605 4.291 1.00 0.00 C ATOM 0 H ALA A 950 -14.235 7.979 4.546 1.00 0.00 H new ATOM 0 HA ALA A 950 -12.542 8.699 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -11.643 10.977 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -13.419 10.947 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -12.431 10.982 5.312 1.00 0.00 H new ATOM 73 N LEU A 951 -11.196 7.445 5.594 1.00 0.00 N ATOM 74 CA LEU A 951 -9.988 6.879 6.191 1.00 0.00 C ATOM 75 C LEU A 951 -9.301 7.918 7.079 1.00 0.00 C ATOM 76 O LEU A 951 -9.618 9.106 7.029 1.00 0.00 O ATOM 77 CB LEU A 951 -9.030 6.415 5.067 1.00 0.00 C ATOM 78 CG LEU A 951 -9.185 4.911 4.791 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.643 4.576 4.457 1.00 0.00 C ATOM 80 CD2 LEU A 951 -8.290 4.534 3.607 1.00 0.00 C ATOM 0 H LEU A 951 -12.046 6.904 5.754 1.00 0.00 H new ATOM 0 HA LEU A 951 -10.258 6.023 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.234 6.978 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -8.000 6.631 5.351 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.894 4.349 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.736 3.507 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -11.281 4.850 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.951 5.132 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -8.390 3.469 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.590 5.104 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -7.252 4.761 3.849 1.00 0.00 H new ATOM 92 N ARG A 952 -8.351 7.458 7.884 1.00 0.00 N ATOM 93 CA ARG A 952 -7.615 8.351 8.767 1.00 0.00 C ATOM 94 C ARG A 952 -6.584 9.140 7.971 1.00 0.00 C ATOM 95 O ARG A 952 -6.290 8.805 6.825 1.00 0.00 O ATOM 96 CB ARG A 952 -6.903 7.550 9.865 1.00 0.00 C ATOM 97 CG ARG A 952 -7.933 6.836 10.771 1.00 0.00 C ATOM 98 CD ARG A 952 -8.133 5.385 10.320 1.00 0.00 C ATOM 99 NE ARG A 952 -6.999 4.564 10.733 1.00 0.00 N ATOM 100 CZ ARG A 952 -7.073 3.237 10.715 1.00 0.00 C ATOM 101 NH1 ARG A 952 -8.162 2.652 10.299 1.00 0.00 N ATOM 102 NH2 ARG A 952 -6.057 2.518 11.104 1.00 0.00 N ATOM 0 H ARG A 952 -8.074 6.478 7.943 1.00 0.00 H new ATOM 0 HA ARG A 952 -8.323 9.039 9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -6.237 6.815 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -6.283 8.216 10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.592 6.857 11.806 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.884 7.367 10.738 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -9.053 4.988 10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -8.243 5.346 9.236 1.00 0.00 H new ATOM 0 HE ARG A 952 -6.137 5.015 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -8.955 3.213 9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -8.220 1.634 10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -5.202 2.974 11.423 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -6.117 1.500 11.089 1.00 0.00 H new ATOM 116 N ASP A 953 -6.039 10.185 8.583 1.00 0.00 N ATOM 117 CA ASP A 953 -5.043 11.007 7.912 1.00 0.00 C ATOM 118 C ASP A 953 -3.808 10.172 7.586 1.00 0.00 C ATOM 119 O ASP A 953 -3.226 10.303 6.508 1.00 0.00 O ATOM 120 CB ASP A 953 -4.638 12.176 8.812 1.00 0.00 C ATOM 121 CG ASP A 953 -4.147 11.646 10.156 1.00 0.00 C ATOM 122 OD1 ASP A 953 -4.947 11.068 10.872 1.00 0.00 O ATOM 123 OD2 ASP A 953 -2.974 11.815 10.444 1.00 0.00 O ATOM 0 H ASP A 953 -6.268 10.480 9.532 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.474 11.392 6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.853 12.761 8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -5.487 12.843 8.962 1.00 0.00 H new ATOM 128 N ASP A 954 -3.425 9.298 8.513 1.00 0.00 N ATOM 129 CA ASP A 954 -2.271 8.434 8.302 1.00 0.00 C ATOM 130 C ASP A 954 -2.577 7.417 7.212 1.00 0.00 C ATOM 131 O ASP A 954 -1.748 7.151 6.340 1.00 0.00 O ATOM 132 CB ASP A 954 -1.911 7.714 9.603 1.00 0.00 C ATOM 133 CG ASP A 954 -0.531 7.075 9.484 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.365 6.223 8.624 1.00 0.00 O ATOM 135 OD2 ASP A 954 0.338 7.444 10.254 1.00 0.00 O ATOM 0 H ASP A 954 -3.894 9.171 9.410 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.424 9.044 7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -1.923 8.420 10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -2.656 6.950 9.823 1.00 0.00 H new ATOM 140 N GLU A 955 -3.783 6.861 7.265 1.00 0.00 N ATOM 141 CA GLU A 955 -4.212 5.881 6.280 1.00 0.00 C ATOM 142 C GLU A 955 -4.398 6.541 4.920 1.00 0.00 C ATOM 143 O GLU A 955 -4.083 5.958 3.883 1.00 0.00 O ATOM 144 CB GLU A 955 -5.531 5.251 6.724 1.00 0.00 C ATOM 145 CG GLU A 955 -5.319 4.483 8.030 1.00 0.00 C ATOM 146 CD GLU A 955 -4.456 3.251 7.774 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.365 2.845 6.628 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.898 2.734 8.728 1.00 0.00 O ATOM 0 H GLU A 955 -4.479 7.074 7.980 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.446 5.110 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.286 6.024 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.903 4.578 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.839 5.127 8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.281 4.184 8.446 1.00 0.00 H new ATOM 155 N TYR A 956 -4.911 7.764 4.937 1.00 0.00 N ATOM 156 CA TYR A 956 -5.139 8.503 3.703 1.00 0.00 C ATOM 157 C TYR A 956 -3.826 8.666 2.947 1.00 0.00 C ATOM 158 O TYR A 956 -3.776 8.514 1.725 1.00 0.00 O ATOM 159 CB TYR A 956 -5.723 9.881 4.023 1.00 0.00 C ATOM 160 CG TYR A 956 -5.877 10.679 2.750 1.00 0.00 C ATOM 161 CD1 TYR A 956 -4.830 11.493 2.302 1.00 0.00 C ATOM 162 CD2 TYR A 956 -7.071 10.612 2.023 1.00 0.00 C ATOM 163 CE1 TYR A 956 -4.973 12.234 1.124 1.00 0.00 C ATOM 164 CE2 TYR A 956 -7.215 11.353 0.846 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.166 12.163 0.394 1.00 0.00 C ATOM 166 OH TYR A 956 -6.308 12.892 -0.769 1.00 0.00 O ATOM 0 H TYR A 956 -5.176 8.263 5.786 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.844 7.950 3.083 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.690 9.771 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.071 10.410 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -3.911 11.549 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -7.881 9.988 2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -4.164 12.860 0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -8.136 11.301 0.285 1.00 0.00 H new ATOM 0 HH TYR A 956 -7.195 12.728 -1.152 1.00 0.00 H new ATOM 176 N ASP A 957 -2.767 8.982 3.685 1.00 0.00 N ATOM 177 CA ASP A 957 -1.457 9.166 3.076 1.00 0.00 C ATOM 178 C ASP A 957 -0.979 7.847 2.467 1.00 0.00 C ATOM 179 O ASP A 957 -0.369 7.830 1.397 1.00 0.00 O ATOM 180 CB ASP A 957 -0.451 9.645 4.140 1.00 0.00 C ATOM 181 CG ASP A 957 -0.526 11.161 4.300 1.00 0.00 C ATOM 182 OD1 ASP A 957 -1.422 11.617 4.991 1.00 0.00 O ATOM 183 OD2 ASP A 957 0.316 11.842 3.739 1.00 0.00 O ATOM 0 H ASP A 957 -2.790 9.115 4.696 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.530 9.917 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.663 9.162 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 957 0.559 9.353 3.852 1.00 0.00 H new ATOM 188 N GLU A 958 -1.264 6.746 3.159 1.00 0.00 N ATOM 189 CA GLU A 958 -0.860 5.430 2.679 1.00 0.00 C ATOM 190 C GLU A 958 -1.585 5.082 1.383 1.00 0.00 C ATOM 191 O GLU A 958 -0.973 4.592 0.433 1.00 0.00 O ATOM 192 CB GLU A 958 -1.166 4.372 3.744 1.00 0.00 C ATOM 193 CG GLU A 958 -0.664 3.003 3.275 1.00 0.00 C ATOM 194 CD GLU A 958 -0.904 1.964 4.365 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.630 2.269 5.297 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.355 0.880 4.254 1.00 0.00 O ATOM 0 H GLU A 958 -1.768 6.740 4.046 1.00 0.00 H new ATOM 0 HA GLU A 958 0.212 5.448 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.688 4.642 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -2.239 4.331 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -1.180 2.710 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.399 3.057 3.038 1.00 0.00 H new ATOM 203 N TRP A 959 -2.885 5.350 1.344 1.00 0.00 N ATOM 204 CA TRP A 959 -3.670 5.068 0.153 1.00 0.00 C ATOM 205 C TRP A 959 -3.135 5.880 -1.026 1.00 0.00 C ATOM 206 O TRP A 959 -2.887 5.346 -2.099 1.00 0.00 O ATOM 207 CB TRP A 959 -5.137 5.407 0.430 1.00 0.00 C ATOM 208 CG TRP A 959 -5.940 5.388 -0.827 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.023 4.363 -1.702 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.786 6.449 -1.346 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.881 4.727 -2.728 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.375 6.007 -2.551 1.00 0.00 C ATOM 213 CE3 TRP A 959 -7.089 7.735 -0.882 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.246 6.831 -3.272 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.968 8.558 -1.599 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.544 8.109 -2.795 1.00 0.00 C ATOM 0 H TRP A 959 -3.412 5.758 2.116 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.594 4.011 -0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.551 4.691 1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.205 6.391 0.893 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.507 3.418 -1.617 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.119 4.125 -3.516 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.643 8.095 0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.686 6.480 -4.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -8.203 9.544 -1.227 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.216 8.750 -3.346 1.00 0.00 H new ATOM 227 N GLN A 960 -2.942 7.172 -0.826 1.00 0.00 N ATOM 228 CA GLN A 960 -2.425 8.007 -1.899 1.00 0.00 C ATOM 229 C GLN A 960 -1.034 7.540 -2.311 1.00 0.00 C ATOM 230 O GLN A 960 -0.681 7.574 -3.491 1.00 0.00 O ATOM 231 CB GLN A 960 -2.369 9.469 -1.447 1.00 0.00 C ATOM 232 CG GLN A 960 -3.788 10.024 -1.294 1.00 0.00 C ATOM 233 CD GLN A 960 -4.473 10.109 -2.655 1.00 0.00 C ATOM 234 OE1 GLN A 960 -4.019 10.845 -3.533 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.542 9.400 -2.883 1.00 0.00 N ATOM 0 H GLN A 960 -3.130 7.659 0.050 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.093 7.923 -2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.836 9.545 -0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.814 10.062 -2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.366 9.384 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.752 11.012 -0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.915 8.792 -2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -6.005 9.453 -3.790 1.00 0.00 H new ATOM 244 N ASP A 961 -0.248 7.113 -1.333 1.00 0.00 N ATOM 245 CA ASP A 961 1.108 6.656 -1.601 1.00 0.00 C ATOM 246 C ASP A 961 1.097 5.386 -2.459 1.00 0.00 C ATOM 247 O ASP A 961 1.970 5.207 -3.314 1.00 0.00 O ATOM 248 CB ASP A 961 1.836 6.390 -0.270 1.00 0.00 C ATOM 249 CG ASP A 961 2.438 7.680 0.294 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.717 8.580 -0.481 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.602 7.751 1.501 1.00 0.00 O ATOM 0 H ASP A 961 -0.524 7.073 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 961 1.635 7.434 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.138 5.964 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.625 5.653 -0.424 1.00 0.00 H new ATOM 256 N ILE A 962 0.118 4.500 -2.247 1.00 0.00 N ATOM 257 CA ILE A 962 0.068 3.278 -3.042 1.00 0.00 C ATOM 258 C ILE A 962 -0.311 3.644 -4.471 1.00 0.00 C ATOM 259 O ILE A 962 0.209 3.075 -5.434 1.00 0.00 O ATOM 260 CB ILE A 962 -0.916 2.235 -2.436 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.375 0.818 -2.698 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.312 2.340 -3.071 1.00 0.00 C ATOM 263 CD1 ILE A 962 0.838 0.507 -1.796 1.00 0.00 C ATOM 0 H ILE A 962 -0.625 4.603 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 962 1.050 2.805 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.999 2.435 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -1.163 0.086 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 962 -0.086 0.724 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.972 1.597 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.717 3.337 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.238 2.161 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 962 1.198 -0.501 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 962 1.634 1.225 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 962 0.541 0.577 -0.750 1.00 0.00 H new ATOM 275 N ILE A 963 -1.222 4.606 -4.596 1.00 0.00 N ATOM 276 CA ILE A 963 -1.657 5.048 -5.911 1.00 0.00 C ATOM 277 C ILE A 963 -0.449 5.579 -6.666 1.00 0.00 C ATOM 278 O ILE A 963 -0.261 5.284 -7.848 1.00 0.00 O ATOM 279 CB ILE A 963 -2.726 6.141 -5.774 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.986 5.521 -5.162 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.084 6.708 -7.151 1.00 0.00 C ATOM 282 CD1 ILE A 963 -5.065 6.592 -4.927 1.00 0.00 C ATOM 0 H ILE A 963 -1.666 5.086 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.095 4.214 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.340 6.941 -5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.374 4.747 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.736 5.037 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.843 7.482 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.193 7.137 -7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.471 5.909 -7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.950 6.128 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.682 7.351 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.329 7.057 -5.877 1.00 0.00 H new ATOM 294 N ARG A 964 0.383 6.340 -5.968 1.00 0.00 N ATOM 295 CA ARG A 964 1.589 6.879 -6.574 1.00 0.00 C ATOM 296 C ARG A 964 2.473 5.729 -7.050 1.00 0.00 C ATOM 297 O ARG A 964 3.059 5.786 -8.129 1.00 0.00 O ATOM 298 CB ARG A 964 2.362 7.726 -5.560 1.00 0.00 C ATOM 299 CG ARG A 964 3.579 8.358 -6.239 1.00 0.00 C ATOM 300 CD ARG A 964 4.325 9.237 -5.236 1.00 0.00 C ATOM 301 NE ARG A 964 4.824 8.430 -4.126 1.00 0.00 N ATOM 302 CZ ARG A 964 5.985 7.786 -4.202 1.00 0.00 C ATOM 303 NH1 ARG A 964 6.662 7.791 -5.318 1.00 0.00 N ATOM 304 NH2 ARG A 964 6.429 7.121 -3.172 1.00 0.00 N ATOM 0 H ARG A 964 0.246 6.595 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 964 1.309 7.508 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.716 8.504 -5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.682 7.106 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.241 7.580 -6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.262 8.954 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 964 5.156 9.740 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 964 3.661 10.014 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 964 4.269 8.359 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 964 6.301 8.289 -6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 964 7.553 7.297 -5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 964 5.886 7.095 -2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 964 7.319 6.627 -3.229 1.00 0.00 H new ATOM 318 N ASP A 965 2.570 4.687 -6.223 1.00 0.00 N ATOM 319 CA ASP A 965 3.392 3.530 -6.557 1.00 0.00 C ATOM 320 C ASP A 965 2.920 2.857 -7.849 1.00 0.00 C ATOM 321 O ASP A 965 3.738 2.476 -8.685 1.00 0.00 O ATOM 322 CB ASP A 965 3.355 2.516 -5.412 1.00 0.00 C ATOM 323 CG ASP A 965 4.452 1.474 -5.605 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.587 1.871 -5.817 1.00 0.00 O ATOM 325 OD2 ASP A 965 4.143 0.296 -5.533 1.00 0.00 O ATOM 0 H ASP A 965 2.092 4.623 -5.324 1.00 0.00 H new ATOM 0 HA ASP A 965 4.412 3.882 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.490 3.026 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.381 2.029 -5.378 1.00 0.00 H new ATOM 330 N TRP A 966 1.605 2.704 -8.014 1.00 0.00 N ATOM 331 CA TRP A 966 1.083 2.063 -9.223 1.00 0.00 C ATOM 332 C TRP A 966 1.123 3.023 -10.410 1.00 0.00 C ATOM 333 O TRP A 966 0.746 2.656 -11.524 1.00 0.00 O ATOM 334 CB TRP A 966 -0.352 1.577 -9.019 1.00 0.00 C ATOM 335 CG TRP A 966 -0.471 0.770 -7.762 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.295 1.071 -6.736 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.214 -0.466 -7.386 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.153 0.116 -5.751 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.234 -0.850 -6.100 1.00 0.00 C ATOM 340 CE3 TRP A 966 1.176 -1.283 -8.018 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.248 -1.997 -5.464 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.664 -2.437 -7.379 1.00 0.00 C ATOM 343 CH2 TRP A 966 1.200 -2.791 -6.106 1.00 0.00 C ATOM 0 H TRP A 966 0.897 3.006 -7.345 1.00 0.00 H new ATOM 0 HA TRP A 966 1.721 1.204 -9.431 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.026 2.432 -8.972 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.661 0.974 -9.873 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.958 1.922 -6.693 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.667 0.124 -4.870 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.540 -1.020 -9.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.113 -2.267 -4.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.401 -3.053 -7.873 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.579 -3.678 -5.621 1.00 0.00 H new ATOM 354 N ARG A 967 1.591 4.240 -10.171 1.00 0.00 N ATOM 355 CA ARG A 967 1.694 5.236 -11.234 1.00 0.00 C ATOM 356 C ARG A 967 0.376 5.412 -11.990 1.00 0.00 C ATOM 357 O ARG A 967 0.373 5.532 -13.215 1.00 0.00 O ATOM 358 CB ARG A 967 2.788 4.829 -12.223 1.00 0.00 C ATOM 359 CG ARG A 967 4.146 4.837 -11.515 1.00 0.00 C ATOM 360 CD ARG A 967 5.239 4.429 -12.503 1.00 0.00 C ATOM 361 NE ARG A 967 5.137 3.008 -12.816 1.00 0.00 N ATOM 362 CZ ARG A 967 5.765 2.488 -13.866 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.462 3.257 -14.657 1.00 0.00 N ATOM 364 NH2 ARG A 967 5.683 1.209 -14.107 1.00 0.00 N ATOM 0 H ARG A 967 1.905 4.563 -9.256 1.00 0.00 H new ATOM 0 HA ARG A 967 1.942 6.187 -10.763 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.580 3.837 -12.623 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.803 5.517 -13.069 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.354 5.830 -11.116 1.00 0.00 H new ATOM 0 HG3 ARG A 967 4.131 4.150 -10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 967 5.150 5.016 -13.417 1.00 0.00 H new ATOM 0 HD3 ARG A 967 6.220 4.645 -12.080 1.00 0.00 H new ATOM 0 HE ARG A 967 4.574 2.403 -12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 967 6.525 4.258 -14.470 1.00 0.00 H new ATOM 0 HH12 ARG A 967 6.944 2.857 -15.462 1.00 0.00 H new ATOM 0 HH21 ARG A 967 5.137 0.608 -13.490 1.00 0.00 H new ATOM 0 HH22 ARG A 967 6.165 0.810 -14.913 1.00 0.00 H new ATOM 378 N LYS A 968 -0.738 5.454 -11.263 1.00 0.00 N ATOM 379 CA LYS A 968 -2.041 5.650 -11.895 1.00 0.00 C ATOM 380 C LYS A 968 -3.077 6.088 -10.865 1.00 0.00 C ATOM 381 O LYS A 968 -2.722 6.640 -9.828 1.00 0.00 O ATOM 382 CB LYS A 968 -2.505 4.375 -12.608 1.00 0.00 C ATOM 383 CG LYS A 968 -2.692 3.235 -11.604 1.00 0.00 C ATOM 384 CD LYS A 968 -3.145 1.978 -12.356 1.00 0.00 C ATOM 385 CE LYS A 968 -3.535 0.880 -11.363 1.00 0.00 C ATOM 386 NZ LYS A 968 -4.919 1.129 -10.864 1.00 0.00 N ATOM 0 H LYS A 968 -0.766 5.356 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 968 -1.936 6.438 -12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.443 4.565 -13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.773 4.086 -13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -1.759 3.042 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.432 3.512 -10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -3.993 2.215 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.343 1.624 -13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -3.481 -0.096 -11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -2.834 0.864 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -4.969 0.900 -9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -5.164 2.130 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -5.590 0.531 -11.387 1.00 0.00 H new ATOM 400 N GLU A 969 -4.357 5.864 -11.164 1.00 0.00 N ATOM 401 CA GLU A 969 -5.445 6.262 -10.257 1.00 0.00 C ATOM 402 C GLU A 969 -6.251 5.047 -9.792 1.00 0.00 C ATOM 403 O GLU A 969 -6.617 4.186 -10.593 1.00 0.00 O ATOM 404 CB GLU A 969 -6.365 7.253 -10.983 1.00 0.00 C ATOM 405 CG GLU A 969 -7.653 7.493 -10.171 1.00 0.00 C ATOM 406 CD GLU A 969 -8.693 6.407 -10.461 1.00 0.00 C ATOM 407 OE1 GLU A 969 -8.550 5.717 -11.457 1.00 0.00 O ATOM 408 OE2 GLU A 969 -9.625 6.291 -9.683 1.00 0.00 O ATOM 0 H GLU A 969 -4.670 5.411 -12.023 1.00 0.00 H new ATOM 0 HA GLU A 969 -5.011 6.732 -9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.843 8.198 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -6.618 6.866 -11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -7.420 7.503 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -8.065 8.472 -10.417 1.00 0.00 H new ATOM 415 N MET A 970 -6.532 4.996 -8.487 1.00 0.00 N ATOM 416 CA MET A 970 -7.311 3.896 -7.906 1.00 0.00 C ATOM 417 C MET A 970 -8.340 4.435 -6.917 1.00 0.00 C ATOM 418 O MET A 970 -8.494 5.645 -6.753 1.00 0.00 O ATOM 419 CB MET A 970 -6.401 2.907 -7.167 1.00 0.00 C ATOM 420 CG MET A 970 -5.115 2.658 -7.957 1.00 0.00 C ATOM 421 SD MET A 970 -4.414 1.068 -7.448 1.00 0.00 S ATOM 422 CE MET A 970 -4.500 1.338 -5.660 1.00 0.00 C ATOM 0 H MET A 970 -6.233 5.701 -7.813 1.00 0.00 H new ATOM 0 HA MET A 970 -7.814 3.384 -8.727 1.00 0.00 H new ATOM 0 HB2 MET A 970 -6.157 3.299 -6.180 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.928 1.965 -7.015 1.00 0.00 H new ATOM 0 HG2 MET A 970 -5.325 2.653 -9.027 1.00 0.00 H new ATOM 0 HG3 MET A 970 -4.400 3.461 -7.776 1.00 0.00 H new ATOM 0 HE1 MET A 970 -3.812 0.659 -5.156 1.00 0.00 H new ATOM 0 HE2 MET A 970 -4.224 2.368 -5.434 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.516 1.150 -5.312 1.00 0.00 H new ATOM 432 N THR A 971 -9.031 3.510 -6.249 1.00 0.00 N ATOM 433 CA THR A 971 -10.041 3.853 -5.246 1.00 0.00 C ATOM 434 C THR A 971 -9.655 3.262 -3.894 1.00 0.00 C ATOM 435 O THR A 971 -8.916 2.280 -3.829 1.00 0.00 O ATOM 436 CB THR A 971 -11.396 3.284 -5.667 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.238 1.920 -6.024 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.946 4.067 -6.862 1.00 0.00 C ATOM 0 H THR A 971 -8.908 2.507 -6.387 1.00 0.00 H new ATOM 0 HA THR A 971 -10.103 4.938 -5.165 1.00 0.00 H new ATOM 0 HB THR A 971 -12.097 3.369 -4.836 1.00 0.00 H new ATOM 0 HG1 THR A 971 -11.896 1.683 -6.711 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.911 3.654 -7.154 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.068 5.114 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.251 3.991 -7.698 1.00 0.00 H new ATOM 446 N VAL A 972 -10.175 3.845 -2.817 1.00 0.00 N ATOM 447 CA VAL A 972 -9.885 3.338 -1.479 1.00 0.00 C ATOM 448 C VAL A 972 -10.399 1.904 -1.357 1.00 0.00 C ATOM 449 O VAL A 972 -9.727 1.038 -0.797 1.00 0.00 O ATOM 450 CB VAL A 972 -10.553 4.233 -0.416 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.511 3.552 0.962 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.798 5.558 -0.326 1.00 0.00 C ATOM 0 H VAL A 972 -10.791 4.658 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.807 3.350 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.590 4.403 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -10.987 4.197 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.042 2.601 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.474 3.374 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.267 6.194 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.762 5.368 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.825 6.059 -1.294 1.00 0.00 H new ATOM 462 N GLN A 973 -11.604 1.668 -1.867 1.00 0.00 N ATOM 463 CA GLN A 973 -12.211 0.344 -1.784 1.00 0.00 C ATOM 464 C GLN A 973 -11.243 -0.732 -2.270 1.00 0.00 C ATOM 465 O GLN A 973 -11.104 -1.778 -1.636 1.00 0.00 O ATOM 466 CB GLN A 973 -13.485 0.299 -2.631 1.00 0.00 C ATOM 467 CG GLN A 973 -14.236 -1.009 -2.359 1.00 0.00 C ATOM 468 CD GLN A 973 -15.460 -1.104 -3.263 1.00 0.00 C ATOM 469 OE1 GLN A 973 -15.998 -2.192 -3.470 1.00 0.00 O ATOM 470 NE2 GLN A 973 -15.927 -0.023 -3.825 1.00 0.00 N ATOM 0 H GLN A 973 -12.175 2.370 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.456 0.149 -0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.121 1.152 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.233 0.373 -3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -13.577 -1.860 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.541 -1.052 -1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -15.479 0.877 -3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -16.740 -0.078 -4.438 1.00 0.00 H new ATOM 479 N GLN A 974 -10.572 -0.475 -3.389 1.00 0.00 N ATOM 480 CA GLN A 974 -9.624 -1.435 -3.933 1.00 0.00 C ATOM 481 C GLN A 974 -8.513 -1.703 -2.916 1.00 0.00 C ATOM 482 O GLN A 974 -8.133 -2.849 -2.686 1.00 0.00 O ATOM 483 CB GLN A 974 -9.032 -0.862 -5.230 1.00 0.00 C ATOM 484 CG GLN A 974 -9.886 -1.263 -6.440 1.00 0.00 C ATOM 485 CD GLN A 974 -11.309 -0.721 -6.327 1.00 0.00 C ATOM 486 OE1 GLN A 974 -11.772 -0.019 -7.225 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.036 -1.002 -5.281 1.00 0.00 N ATOM 0 H GLN A 974 -10.668 0.384 -3.931 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.129 -2.377 -4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -8.977 0.224 -5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.013 -1.225 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.424 -0.887 -7.353 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -9.915 -2.350 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.654 -1.584 -4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -12.987 -0.640 -5.209 1.00 0.00 H new ATOM 496 N PHE A 975 -8.008 -0.638 -2.303 1.00 0.00 N ATOM 497 CA PHE A 975 -6.951 -0.769 -1.306 1.00 0.00 C ATOM 498 C PHE A 975 -7.423 -1.613 -0.120 1.00 0.00 C ATOM 499 O PHE A 975 -6.699 -2.488 0.353 1.00 0.00 O ATOM 500 CB PHE A 975 -6.503 0.617 -0.836 1.00 0.00 C ATOM 501 CG PHE A 975 -5.525 0.479 0.310 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.259 -0.074 0.088 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.886 0.907 1.592 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.353 -0.197 1.148 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.982 0.784 2.654 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.716 0.229 2.432 1.00 0.00 C ATOM 0 H PHE A 975 -8.311 0.320 -2.477 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.102 -1.278 -1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.037 1.157 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.368 1.201 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -3.981 -0.406 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.864 1.333 1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.374 -0.620 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.261 1.117 3.643 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.019 0.129 3.251 1.00 0.00 H new ATOM 516 N LEU A 976 -8.639 -1.352 0.353 1.00 0.00 N ATOM 517 CA LEU A 976 -9.192 -2.110 1.477 1.00 0.00 C ATOM 518 C LEU A 976 -9.293 -3.590 1.100 1.00 0.00 C ATOM 519 O LEU A 976 -8.997 -4.470 1.902 1.00 0.00 O ATOM 520 CB LEU A 976 -10.588 -1.568 1.840 1.00 0.00 C ATOM 521 CG LEU A 976 -10.514 -0.437 2.884 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.406 0.566 2.533 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.872 0.273 2.923 1.00 0.00 C ATOM 0 H LEU A 976 -9.256 -0.630 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.534 -2.002 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -11.079 -1.199 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.203 -2.380 2.228 1.00 0.00 H new ATOM 0 HG LEU A 976 -10.279 -0.861 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -9.376 1.353 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.445 0.052 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.609 1.006 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.841 1.078 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -12.095 0.687 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -12.648 -0.441 3.200 1.00 0.00 H new ATOM 535 N ASP A 977 -9.710 -3.866 -0.123 1.00 0.00 N ATOM 536 CA ASP A 977 -9.817 -5.246 -0.564 1.00 0.00 C ATOM 537 C ASP A 977 -8.421 -5.864 -0.660 1.00 0.00 C ATOM 538 O ASP A 977 -8.221 -7.035 -0.333 1.00 0.00 O ATOM 539 CB ASP A 977 -10.498 -5.314 -1.932 1.00 0.00 C ATOM 540 CG ASP A 977 -10.855 -6.760 -2.262 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.745 -7.594 -1.379 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.230 -7.010 -3.396 1.00 0.00 O ATOM 0 H ASP A 977 -9.976 -3.168 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.415 -5.801 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.398 -4.699 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.836 -4.910 -2.698 1.00 0.00 H new ATOM 547 N LEU A 978 -7.464 -5.056 -1.116 1.00 0.00 N ATOM 548 CA LEU A 978 -6.083 -5.507 -1.272 1.00 0.00 C ATOM 549 C LEU A 978 -5.436 -5.847 0.066 1.00 0.00 C ATOM 550 O LEU A 978 -4.787 -6.885 0.198 1.00 0.00 O ATOM 551 CB LEU A 978 -5.272 -4.414 -1.980 1.00 0.00 C ATOM 552 CG LEU A 978 -3.783 -4.787 -2.040 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.605 -6.167 -2.678 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.045 -3.741 -2.882 1.00 0.00 C ATOM 0 H LEU A 978 -7.621 -4.084 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.092 -6.419 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.655 -4.268 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.393 -3.467 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.378 -4.813 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.545 -6.417 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.134 -6.913 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.009 -6.155 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.986 -3.995 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.462 -3.724 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.161 -2.758 -2.425 1.00 0.00 H new ATOM 566 N LYS A 979 -5.595 -4.972 1.052 1.00 0.00 N ATOM 567 CA LYS A 979 -4.998 -5.216 2.350 1.00 0.00 C ATOM 568 C LYS A 979 -5.708 -6.383 3.025 1.00 0.00 C ATOM 569 O LYS A 979 -5.078 -7.266 3.590 1.00 0.00 O ATOM 570 CB LYS A 979 -5.071 -3.940 3.206 1.00 0.00 C ATOM 571 CG LYS A 979 -6.455 -3.779 3.825 1.00 0.00 C ATOM 572 CD LYS A 979 -6.550 -2.418 4.501 1.00 0.00 C ATOM 573 CE LYS A 979 -7.835 -2.354 5.328 1.00 0.00 C ATOM 574 NZ LYS A 979 -7.896 -1.055 6.053 1.00 0.00 N ATOM 0 H LYS A 979 -6.124 -4.103 0.976 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.947 -5.479 2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.319 -3.982 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.840 -3.071 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.222 -3.870 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.635 -4.572 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.683 -2.256 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.546 -1.626 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -8.704 -2.461 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -7.864 -3.180 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -8.770 -1.012 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -7.074 -0.971 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -7.887 -0.274 5.367 1.00 0.00 H new ATOM 588 N GLU A 980 -7.028 -6.383 2.955 1.00 0.00 N ATOM 589 CA GLU A 980 -7.804 -7.447 3.567 1.00 0.00 C ATOM 590 C GLU A 980 -7.315 -8.807 3.070 1.00 0.00 C ATOM 591 O GLU A 980 -7.019 -9.704 3.864 1.00 0.00 O ATOM 592 CB GLU A 980 -9.280 -7.276 3.205 1.00 0.00 C ATOM 593 CG GLU A 980 -10.142 -8.179 4.087 1.00 0.00 C ATOM 594 CD GLU A 980 -10.152 -7.657 5.519 1.00 0.00 C ATOM 595 OE1 GLU A 980 -9.628 -6.577 5.736 1.00 0.00 O ATOM 596 OE2 GLU A 980 -10.684 -8.342 6.375 1.00 0.00 O ATOM 0 H GLU A 980 -7.580 -5.666 2.485 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.682 -7.397 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.577 -6.235 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.436 -7.523 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -11.160 -8.216 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.755 -9.198 4.066 1.00 0.00 H new ATOM 603 N ARG A 981 -7.235 -8.952 1.751 1.00 0.00 N ATOM 604 CA ARG A 981 -6.790 -10.208 1.156 1.00 0.00 C ATOM 605 C ARG A 981 -5.334 -10.524 1.505 1.00 0.00 C ATOM 606 O ARG A 981 -5.006 -11.661 1.842 1.00 0.00 O ATOM 607 CB ARG A 981 -6.942 -10.143 -0.366 1.00 0.00 C ATOM 608 CG ARG A 981 -8.428 -10.178 -0.734 1.00 0.00 C ATOM 609 CD ARG A 981 -8.577 -10.183 -2.256 1.00 0.00 C ATOM 610 NE ARG A 981 -9.991 -10.176 -2.622 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.389 -10.538 -3.837 1.00 0.00 C ATOM 612 NH1 ARG A 981 -9.515 -10.939 -4.717 1.00 0.00 N ATOM 613 NH2 ARG A 981 -11.656 -10.492 -4.147 1.00 0.00 N ATOM 0 H ARG A 981 -7.470 -8.222 1.078 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.414 -11.003 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.483 -9.232 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.422 -10.981 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.898 -11.065 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.939 -9.313 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.079 -9.311 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -8.090 -11.064 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.685 -9.888 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.525 -10.975 -4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -9.821 -11.217 -5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.339 -10.179 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -11.963 -10.769 -5.079 1.00 0.00 H new ATOM 627 N ALA A 982 -4.461 -9.525 1.415 1.00 0.00 N ATOM 628 CA ALA A 982 -3.043 -9.737 1.715 1.00 0.00 C ATOM 629 C ALA A 982 -2.830 -10.091 3.172 1.00 0.00 C ATOM 630 O ALA A 982 -2.155 -11.068 3.496 1.00 0.00 O ATOM 631 CB ALA A 982 -2.249 -8.473 1.405 1.00 0.00 C ATOM 0 H ALA A 982 -4.702 -8.573 1.141 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.700 -10.565 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.196 -8.640 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.358 -8.224 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.624 -7.649 2.012 1.00 0.00 H new ATOM 637 N LEU A 983 -3.403 -9.282 4.049 1.00 0.00 N ATOM 638 CA LEU A 983 -3.259 -9.513 5.468 1.00 0.00 C ATOM 639 C LEU A 983 -3.965 -10.810 5.853 1.00 0.00 C ATOM 640 O LEU A 983 -3.646 -11.426 6.870 1.00 0.00 O ATOM 641 CB LEU A 983 -3.819 -8.321 6.271 1.00 0.00 C ATOM 642 CG LEU A 983 -2.763 -7.207 6.382 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.178 -6.874 5.008 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.413 -5.951 6.971 1.00 0.00 C ATOM 0 H LEU A 983 -3.966 -8.468 3.802 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.200 -9.608 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.715 -7.935 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.115 -8.652 7.267 1.00 0.00 H new ATOM 0 HG LEU A 983 -1.958 -7.554 7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.434 -6.084 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.708 -7.763 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -2.975 -6.537 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.668 -5.159 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.224 -5.622 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.810 -6.177 7.961 1.00 0.00 H new ATOM 656 N SER A 984 -4.921 -11.219 5.023 1.00 0.00 N ATOM 657 CA SER A 984 -5.663 -12.448 5.274 1.00 0.00 C ATOM 658 C SER A 984 -4.844 -13.664 4.847 1.00 0.00 C ATOM 659 O SER A 984 -5.259 -14.803 5.053 1.00 0.00 O ATOM 660 CB SER A 984 -6.987 -12.420 4.511 1.00 0.00 C ATOM 661 OG SER A 984 -7.585 -13.709 4.563 1.00 0.00 O ATOM 0 H SER A 984 -5.198 -10.721 4.177 1.00 0.00 H new ATOM 0 HA SER A 984 -5.864 -12.521 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.656 -11.678 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.817 -12.126 3.475 1.00 0.00 H new ATOM 0 HG SER A 984 -6.961 -14.343 4.975 1.00 0.00 H new ATOM 667 N GLY A 985 -3.667 -13.416 4.267 1.00 0.00 N ATOM 668 CA GLY A 985 -2.782 -14.500 3.833 1.00 0.00 C ATOM 669 C GLY A 985 -2.980 -14.849 2.359 1.00 0.00 C ATOM 670 O GLY A 985 -2.768 -15.993 1.956 1.00 0.00 O ATOM 0 H GLY A 985 -3.306 -12.479 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.745 -14.209 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.967 -15.385 4.442 1.00 0.00 H new ATOM 674 N ALA A 986 -3.376 -13.867 1.558 1.00 0.00 N ATOM 675 CA ALA A 986 -3.584 -14.108 0.132 1.00 0.00 C ATOM 676 C ALA A 986 -2.263 -14.331 -0.582 1.00 0.00 C ATOM 677 O ALA A 986 -1.237 -13.765 -0.208 1.00 0.00 O ATOM 678 CB ALA A 986 -4.288 -12.927 -0.517 1.00 0.00 C ATOM 0 H ALA A 986 -3.558 -12.911 1.863 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.202 -15.002 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.433 -13.128 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.257 -12.775 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.680 -12.030 -0.397 1.00 0.00 H new ATOM 684 N SER A 987 -2.306 -15.156 -1.624 1.00 0.00 N ATOM 685 CA SER A 987 -1.115 -15.456 -2.415 1.00 0.00 C ATOM 686 C SER A 987 -1.150 -14.729 -3.755 1.00 0.00 C ATOM 687 O SER A 987 -0.206 -14.818 -4.539 1.00 0.00 O ATOM 688 CB SER A 987 -1.031 -16.964 -2.648 1.00 0.00 C ATOM 689 OG SER A 987 -2.140 -17.378 -3.434 1.00 0.00 O ATOM 0 H SER A 987 -3.152 -15.629 -1.941 1.00 0.00 H new ATOM 0 HA SER A 987 -0.237 -15.115 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 987 -0.098 -17.215 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 987 -1.029 -17.492 -1.694 1.00 0.00 H new ATOM 0 HG SER A 987 -2.089 -18.345 -3.588 1.00 0.00 H new ATOM 695 N ASP A 988 -2.235 -13.999 -4.015 1.00 0.00 N ATOM 696 CA ASP A 988 -2.346 -13.258 -5.267 1.00 0.00 C ATOM 697 C ASP A 988 -1.061 -12.459 -5.497 1.00 0.00 C ATOM 698 O ASP A 988 -0.386 -12.093 -4.539 1.00 0.00 O ATOM 699 CB ASP A 988 -3.555 -12.303 -5.208 1.00 0.00 C ATOM 700 CG ASP A 988 -4.836 -13.027 -5.620 1.00 0.00 C ATOM 701 OD1 ASP A 988 -5.306 -13.846 -4.851 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.329 -12.742 -6.699 1.00 0.00 O ATOM 0 H ASP A 988 -3.034 -13.907 -3.388 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.491 -13.957 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.664 -11.908 -4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.385 -11.452 -5.867 1.00 0.00 H new ATOM 707 N PRO A 989 -0.709 -12.184 -6.729 1.00 0.00 N ATOM 708 CA PRO A 989 0.533 -11.416 -7.041 1.00 0.00 C ATOM 709 C PRO A 989 0.510 -10.037 -6.385 1.00 0.00 C ATOM 710 O PRO A 989 1.539 -9.515 -5.963 1.00 0.00 O ATOM 711 CB PRO A 989 0.536 -11.322 -8.582 1.00 0.00 C ATOM 712 CG PRO A 989 -0.875 -11.600 -8.995 1.00 0.00 C ATOM 713 CD PRO A 989 -1.438 -12.560 -7.951 1.00 0.00 C ATOM 0 HA PRO A 989 1.434 -11.895 -6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.857 -10.335 -8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.224 -12.046 -9.019 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.458 -10.680 -9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.910 -12.042 -9.991 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.515 -12.440 -7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.261 -13.601 -8.223 1.00 0.00 H new ATOM 721 N ASP A 990 -0.673 -9.461 -6.293 1.00 0.00 N ATOM 722 CA ASP A 990 -0.821 -8.153 -5.678 1.00 0.00 C ATOM 723 C ASP A 990 -0.511 -8.221 -4.180 1.00 0.00 C ATOM 724 O ASP A 990 0.008 -7.268 -3.604 1.00 0.00 O ATOM 725 CB ASP A 990 -2.248 -7.645 -5.879 1.00 0.00 C ATOM 726 CG ASP A 990 -2.477 -7.266 -7.338 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.508 -7.178 -8.071 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.626 -7.059 -7.698 1.00 0.00 O ATOM 0 H ASP A 990 -1.542 -9.874 -6.633 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.117 -7.469 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.960 -8.414 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.426 -6.780 -5.240 1.00 0.00 H new ATOM 733 N SER A 991 -0.849 -9.349 -3.552 1.00 0.00 N ATOM 734 CA SER A 991 -0.618 -9.517 -2.117 1.00 0.00 C ATOM 735 C SER A 991 0.869 -9.625 -1.789 1.00 0.00 C ATOM 736 O SER A 991 1.355 -8.960 -0.873 1.00 0.00 O ATOM 737 CB SER A 991 -1.345 -10.761 -1.609 1.00 0.00 C ATOM 738 OG SER A 991 -0.806 -11.137 -0.348 1.00 0.00 O ATOM 0 H SER A 991 -1.280 -10.152 -4.010 1.00 0.00 H new ATOM 0 HA SER A 991 -1.010 -8.631 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.412 -10.560 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.235 -11.578 -2.323 1.00 0.00 H new ATOM 0 HG SER A 991 -1.078 -12.055 -0.137 1.00 0.00 H new ATOM 744 N GLN A 992 1.590 -10.468 -2.526 1.00 0.00 N ATOM 745 CA GLN A 992 3.016 -10.634 -2.270 1.00 0.00 C ATOM 746 C GLN A 992 3.765 -9.363 -2.662 1.00 0.00 C ATOM 747 O GLN A 992 4.658 -8.910 -1.942 1.00 0.00 O ATOM 748 CB GLN A 992 3.569 -11.862 -3.021 1.00 0.00 C ATOM 749 CG GLN A 992 2.741 -12.135 -4.274 1.00 0.00 C ATOM 750 CD GLN A 992 3.506 -13.070 -5.207 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.689 -12.851 -5.468 1.00 0.00 O ATOM 752 NE2 GLN A 992 2.907 -14.112 -5.713 1.00 0.00 N ATOM 0 H GLN A 992 1.219 -11.035 -3.289 1.00 0.00 H new ATOM 0 HA GLN A 992 3.165 -10.808 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.610 -11.691 -3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.551 -12.734 -2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.786 -12.582 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.519 -11.198 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 992 1.927 -14.292 -5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 992 3.419 -14.747 -6.326 1.00 0.00 H new ATOM 761 N ARG A 993 3.375 -8.773 -3.789 1.00 0.00 N ATOM 762 CA ARG A 993 3.994 -7.536 -4.236 1.00 0.00 C ATOM 763 C ARG A 993 3.719 -6.440 -3.219 1.00 0.00 C ATOM 764 O ARG A 993 4.594 -5.636 -2.903 1.00 0.00 O ATOM 765 CB ARG A 993 3.446 -7.129 -5.604 1.00 0.00 C ATOM 766 CG ARG A 993 4.007 -8.061 -6.681 1.00 0.00 C ATOM 767 CD ARG A 993 3.398 -7.695 -8.036 1.00 0.00 C ATOM 768 NE ARG A 993 3.907 -8.580 -9.076 1.00 0.00 N ATOM 769 CZ ARG A 993 3.772 -8.275 -10.363 1.00 0.00 C ATOM 770 NH1 ARG A 993 3.198 -7.155 -10.710 1.00 0.00 N ATOM 771 NH2 ARG A 993 4.226 -9.084 -11.278 1.00 0.00 N ATOM 0 H ARG A 993 2.641 -9.129 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 993 5.070 -7.688 -4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.357 -7.176 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.719 -6.097 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 993 5.093 -7.975 -6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.779 -9.098 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 993 2.312 -7.769 -7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 993 3.636 -6.660 -8.281 1.00 0.00 H new ATOM 0 HE ARG A 993 4.374 -9.447 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 993 2.854 -6.515 -9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 993 3.094 -6.920 -11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 993 4.686 -9.953 -11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 993 4.121 -8.848 -12.265 1.00 0.00 H new ATOM 785 N TYR A 994 2.497 -6.434 -2.694 1.00 0.00 N ATOM 786 CA TYR A 994 2.107 -5.459 -1.688 1.00 0.00 C ATOM 787 C TYR A 994 2.970 -5.629 -0.443 1.00 0.00 C ATOM 788 O TYR A 994 3.438 -4.650 0.138 1.00 0.00 O ATOM 789 CB TYR A 994 0.623 -5.630 -1.344 1.00 0.00 C ATOM 790 CG TYR A 994 0.274 -4.806 -0.122 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.295 -3.407 -0.188 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.071 -5.447 1.072 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.027 -2.649 0.945 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.396 -4.689 2.201 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.374 -3.292 2.139 1.00 0.00 C ATOM 796 OH TYR A 994 -0.694 -2.547 3.256 1.00 0.00 O ATOM 0 H TYR A 994 1.763 -7.094 -2.950 1.00 0.00 H new ATOM 0 HA TYR A 994 2.258 -4.454 -2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 994 0.008 -5.320 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.404 -6.681 -1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.559 -2.913 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.086 -6.526 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.008 -1.570 0.897 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.665 -5.183 3.123 1.00 0.00 H new ATOM 0 HH TYR A 994 -0.912 -3.148 3.999 1.00 0.00 H new ATOM 806 N ASN A 995 3.192 -6.876 -0.039 1.00 0.00 N ATOM 807 CA ASN A 995 4.017 -7.131 1.131 1.00 0.00 C ATOM 808 C ASN A 995 5.399 -6.542 0.881 1.00 0.00 C ATOM 809 O ASN A 995 5.986 -5.893 1.751 1.00 0.00 O ATOM 810 CB ASN A 995 4.136 -8.638 1.374 1.00 0.00 C ATOM 811 CG ASN A 995 2.857 -9.173 2.014 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.523 -8.802 3.138 1.00 0.00 O ATOM 813 ND2 ASN A 995 2.123 -10.034 1.363 1.00 0.00 N ATOM 0 H ASN A 995 2.820 -7.709 -0.495 1.00 0.00 H new ATOM 0 HA ASN A 995 3.564 -6.673 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.322 -9.152 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.988 -8.843 2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.270 -10.401 1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.402 -10.340 0.431 1.00 0.00 H new ATOM 820 N ALA A 996 5.904 -6.744 -0.332 1.00 0.00 N ATOM 821 CA ALA A 996 7.200 -6.193 -0.683 1.00 0.00 C ATOM 822 C ALA A 996 7.131 -4.680 -0.641 1.00 0.00 C ATOM 823 O ALA A 996 8.027 -4.027 -0.135 1.00 0.00 O ATOM 824 CB ALA A 996 7.614 -6.617 -2.082 1.00 0.00 C ATOM 0 H ALA A 996 5.444 -7.274 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 996 7.932 -6.567 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.589 -6.190 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.673 -7.704 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.878 -6.262 -2.803 1.00 0.00 H new ATOM 830 N TRP A 997 6.050 -4.123 -1.169 1.00 0.00 N ATOM 831 CA TRP A 997 5.899 -2.682 -1.173 1.00 0.00 C ATOM 832 C TRP A 997 6.071 -2.161 0.244 1.00 0.00 C ATOM 833 O TRP A 997 6.728 -1.144 0.464 1.00 0.00 O ATOM 834 CB TRP A 997 4.528 -2.274 -1.719 1.00 0.00 C ATOM 835 CG TRP A 997 4.412 -0.785 -1.694 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.954 0.055 -2.607 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.715 0.057 -0.730 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.644 1.358 -2.255 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.882 1.409 -1.105 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.967 -0.222 0.428 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.324 2.452 -0.359 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.405 0.823 1.181 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.581 2.156 0.788 1.00 0.00 C ATOM 0 H TRP A 997 5.279 -4.640 -1.592 1.00 0.00 H new ATOM 0 HA TRP A 997 6.660 -2.250 -1.823 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.404 -2.643 -2.737 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.736 -2.722 -1.119 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.533 -0.242 -3.469 1.00 0.00 H new ATOM 0 HE1 TRP A 997 4.942 2.179 -2.781 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.824 -1.246 0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.466 3.478 -0.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.833 0.597 2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 997 2.144 2.954 1.370 1.00 0.00 H new ATOM 854 N LEU A 998 5.512 -2.881 1.214 1.00 0.00 N ATOM 855 CA LEU A 998 5.669 -2.481 2.603 1.00 0.00 C ATOM 856 C LEU A 998 7.145 -2.537 2.962 1.00 0.00 C ATOM 857 O LEU A 998 7.664 -1.648 3.636 1.00 0.00 O ATOM 858 CB LEU A 998 4.860 -3.387 3.538 1.00 0.00 C ATOM 859 CG LEU A 998 3.360 -3.095 3.377 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.550 -4.183 4.087 1.00 0.00 C ATOM 861 CD2 LEU A 998 3.015 -1.713 3.977 1.00 0.00 C ATOM 0 H LEU A 998 4.959 -3.725 1.066 1.00 0.00 H new ATOM 0 HA LEU A 998 5.292 -1.466 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 998 5.063 -4.434 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 998 5.163 -3.221 4.572 1.00 0.00 H new ATOM 0 HG LEU A 998 3.112 -3.088 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.486 -3.977 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.781 -5.153 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.806 -4.194 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.949 -1.520 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.267 -1.703 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.585 -0.940 3.462 1.00 0.00 H new ATOM 873 N GLU A 999 7.827 -3.574 2.477 1.00 0.00 N ATOM 874 CA GLU A 999 9.257 -3.713 2.734 1.00 0.00 C ATOM 875 C GLU A 999 10.008 -2.545 2.092 1.00 0.00 C ATOM 876 O GLU A 999 10.910 -1.963 2.696 1.00 0.00 O ATOM 877 CB GLU A 999 9.766 -5.053 2.171 1.00 0.00 C ATOM 878 CG GLU A 999 11.241 -5.252 2.539 1.00 0.00 C ATOM 879 CD GLU A 999 11.377 -5.520 4.035 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.356 -5.657 4.688 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.502 -5.590 4.503 1.00 0.00 O ATOM 0 H GLU A 999 7.419 -4.319 1.912 1.00 0.00 H new ATOM 0 HA GLU A 999 9.434 -3.700 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 999 9.170 -5.874 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.648 -5.070 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.656 -6.086 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.814 -4.366 2.267 1.00 0.00 H new ATOM 888 N LEU A1000 9.627 -2.199 0.867 1.00 0.00 N ATOM 889 CA LEU A1000 10.268 -1.097 0.166 1.00 0.00 C ATOM 890 C LEU A1000 10.041 0.190 0.943 1.00 0.00 C ATOM 891 O LEU A1000 10.947 1.009 1.100 1.00 0.00 O ATOM 892 CB LEU A1000 9.685 -0.941 -1.245 1.00 0.00 C ATOM 893 CG LEU A1000 9.943 -2.198 -2.086 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.332 -2.001 -3.478 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.450 -2.466 -2.215 1.00 0.00 C ATOM 0 H LEU A1000 8.884 -2.662 0.344 1.00 0.00 H new ATOM 0 HA LEU A1000 11.335 -1.307 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.613 -0.755 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.131 -0.074 -1.733 1.00 0.00 H new ATOM 0 HG LEU A1000 9.484 -3.055 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.511 -2.890 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.259 -1.836 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.792 -1.137 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.610 -3.362 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A1000 11.931 -1.615 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.880 -2.612 -1.224 1.00 0.00 H new ATOM 907 N ARG A1001 8.825 0.357 1.439 1.00 0.00 N ATOM 908 CA ARG A1001 8.495 1.541 2.206 1.00 0.00 C ATOM 909 C ARG A1001 9.372 1.637 3.447 1.00 0.00 C ATOM 910 O ARG A1001 9.912 2.699 3.760 1.00 0.00 O ATOM 911 CB ARG A1001 7.023 1.499 2.620 1.00 0.00 C ATOM 912 CG ARG A1001 6.727 2.659 3.566 1.00 0.00 C ATOM 913 CD ARG A1001 5.216 2.811 3.731 1.00 0.00 C ATOM 914 NE ARG A1001 4.909 3.889 4.668 1.00 0.00 N ATOM 915 CZ ARG A1001 4.824 3.666 5.979 1.00 0.00 C ATOM 916 NH1 ARG A1001 5.016 2.463 6.449 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.550 4.648 6.791 1.00 0.00 N ATOM 0 H ARG A1001 8.059 -0.307 1.324 1.00 0.00 H new ATOM 0 HA ARG A1001 8.673 2.417 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.384 1.562 1.739 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.799 0.551 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.193 2.480 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.155 3.581 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.758 3.020 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.788 1.876 4.091 1.00 0.00 H new ATOM 0 HE ARG A1001 4.756 4.832 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.231 1.695 5.813 1.00 0.00 H new ATOM 0 HH12 ARG A1001 4.951 2.291 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.401 5.587 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A1001 4.485 4.477 7.794 1.00 0.00 H new ATOM 931 N ALA A1002 9.498 0.525 4.144 1.00 0.00 N ATOM 932 CA ALA A1002 10.306 0.485 5.351 1.00 0.00 C ATOM 933 C ALA A1002 11.767 0.757 5.021 1.00 0.00 C ATOM 934 O ALA A1002 12.523 1.248 5.858 1.00 0.00 O ATOM 935 CB ALA A1002 10.181 -0.883 6.023 1.00 0.00 C ATOM 0 H ALA A1002 9.054 -0.360 3.899 1.00 0.00 H new ATOM 0 HA ALA A1002 9.945 1.256 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.791 -0.902 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.139 -1.066 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.524 -1.658 5.338 1.00 0.00 H new ATOM 941 N LYS A1003 12.159 0.425 3.799 1.00 0.00 N ATOM 942 CA LYS A1003 13.544 0.636 3.375 1.00 0.00 C ATOM 943 C LYS A1003 13.840 2.117 3.148 1.00 0.00 C ATOM 944 O LYS A1003 14.886 2.617 3.561 1.00 0.00 O ATOM 945 CB LYS A1003 13.837 -0.159 2.094 1.00 0.00 C ATOM 946 CG LYS A1003 13.920 -1.666 2.404 1.00 0.00 C ATOM 947 CD LYS A1003 15.331 -2.042 2.884 1.00 0.00 C ATOM 948 CE LYS A1003 15.375 -3.540 3.188 1.00 0.00 C ATOM 949 NZ LYS A1003 15.177 -4.304 1.923 1.00 0.00 N ATOM 0 H LYS A1003 11.551 0.014 3.090 1.00 0.00 H new ATOM 0 HA LYS A1003 14.193 0.280 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.055 0.025 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A1003 14.775 0.180 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A1003 13.188 -1.926 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.668 -2.241 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A1003 16.067 -1.792 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.590 -1.470 3.775 1.00 0.00 H new ATOM 0 HE2 LYS A1003 16.331 -3.803 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A1003 14.600 -3.800 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 15.533 -5.274 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 14.164 -4.334 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.696 -3.838 1.151 1.00 0.00 H new ATOM 963 N ARG A1004 12.925 2.807 2.472 1.00 0.00 N ATOM 964 CA ARG A1004 13.110 4.228 2.179 1.00 0.00 C ATOM 965 C ARG A1004 12.636 5.095 3.341 1.00 0.00 C ATOM 966 O ARG A1004 12.173 6.217 3.141 1.00 0.00 O ATOM 967 CB ARG A1004 12.339 4.590 0.905 1.00 0.00 C ATOM 968 CG ARG A1004 10.840 4.434 1.139 1.00 0.00 C ATOM 969 CD ARG A1004 10.094 4.711 -0.169 1.00 0.00 C ATOM 970 NE ARG A1004 8.656 4.599 0.045 1.00 0.00 N ATOM 971 CZ ARG A1004 7.790 4.825 -0.940 1.00 0.00 C ATOM 972 NH1 ARG A1004 8.215 5.098 -2.142 1.00 0.00 N ATOM 973 NH2 ARG A1004 6.508 4.754 -0.704 1.00 0.00 N ATOM 0 H ARG A1004 12.054 2.410 2.119 1.00 0.00 H new ATOM 0 HA ARG A1004 14.173 4.417 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A1004 12.565 5.616 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A1004 12.656 3.947 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A1004 10.618 3.427 1.492 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.507 5.124 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A1004 10.339 5.709 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A1004 10.412 4.005 -0.936 1.00 0.00 H new ATOM 0 HE ARG A1004 8.307 4.342 0.968 1.00 0.00 H new ATOM 0 HH11 ARG A1004 9.216 5.139 -2.332 1.00 0.00 H new ATOM 0 HH12 ARG A1004 7.546 5.270 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A1004 6.174 4.526 0.232 1.00 0.00 H new ATOM 0 HH22 ARG A1004 5.841 4.926 -1.456 1.00 0.00 H new ATOM 987 N LEU A1005 12.750 4.569 4.555 1.00 0.00 N ATOM 988 CA LEU A1005 12.323 5.303 5.733 1.00 0.00 C ATOM 989 C LEU A1005 13.048 6.648 5.816 1.00 0.00 C ATOM 990 O LEU A1005 14.193 6.724 6.262 1.00 0.00 O ATOM 991 CB LEU A1005 12.604 4.455 6.993 1.00 0.00 C ATOM 992 CG LEU A1005 11.510 4.681 8.056 1.00 0.00 C ATOM 993 CD1 LEU A1005 10.290 3.800 7.753 1.00 0.00 C ATOM 994 CD2 LEU A1005 12.056 4.317 9.441 1.00 0.00 C ATOM 0 H LEU A1005 13.132 3.643 4.746 1.00 0.00 H new ATOM 0 HA LEU A1005 11.253 5.501 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A1005 12.646 3.399 6.725 1.00 0.00 H new ATOM 0 HB3 LEU A1005 13.578 4.718 7.405 1.00 0.00 H new ATOM 0 HG LEU A1005 11.213 5.730 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A1005 9.523 3.967 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A1005 9.892 4.055 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A1005 10.587 2.751 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A1005 11.282 4.477 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A1005 12.358 3.270 9.449 1.00 0.00 H new ATOM 0 HD23 LEU A1005 12.917 4.945 9.669 1.00 0.00 H new ATOM 1006 N SER A1006 12.366 7.704 5.384 1.00 0.00 N ATOM 1007 CA SER A1006 12.942 9.046 5.408 1.00 0.00 C ATOM 1008 C SER A1006 12.734 9.695 6.771 1.00 0.00 C ATOM 1009 O SER A1006 13.679 10.274 7.281 1.00 0.00 O ATOM 1010 CB SER A1006 12.293 9.911 4.329 1.00 0.00 C ATOM 1011 OG SER A1006 12.452 9.281 3.063 1.00 0.00 O ATOM 0 H SER A1006 11.417 7.658 5.014 1.00 0.00 H new ATOM 0 HA SER A1006 14.012 8.964 5.216 1.00 0.00 H new ATOM 0 HB2 SER A1006 11.234 10.052 4.548 1.00 0.00 H new ATOM 0 HB3 SER A1006 12.750 10.900 4.316 1.00 0.00 H new ATOM 0 HG SER A1006 12.337 8.313 3.163 1.00 0.00 H new TER 1017 SER A1006