USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=9 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 97:sc= -3.26! USER MOD Set 1.2: A 974 GLN : amide:sc= -6.54! C(o=-9.8!,f=-8.9!) USER MOD Single : A 947 MET CE :methyl -155:sc= -0.0837 (180deg=-0.809) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -1.27! K(o=-1.3!,f=-2.2) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -166:sc= -0.412 (180deg=-1.02) USER MOD Single : A 973 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot -36:sc= 0.585 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -90:sc= -0.444 USER MOD Single : A 992 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 994 TYR OH : rot 35:sc= 0.909 USER MOD Single : A 995 ASN : amide:sc= -1.08 K(o=-1.1,f=-5!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 SER OG : rot 24:sc= -0.0667 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -21.134 12.541 6.401 1.00 0.00 N ATOM 2 CA GLY A 945 -22.000 11.898 7.427 1.00 0.00 C ATOM 3 C GLY A 945 -21.541 10.463 7.662 1.00 0.00 C ATOM 4 O GLY A 945 -20.975 10.147 8.709 1.00 0.00 O ATOM 0 HA2 GLY A 945 -21.955 12.461 8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -23.039 11.908 7.098 1.00 0.00 H new ATOM 7 N ALA A 946 -21.788 9.598 6.684 1.00 0.00 N ATOM 8 CA ALA A 946 -21.396 8.198 6.800 1.00 0.00 C ATOM 9 C ALA A 946 -19.886 8.045 6.663 1.00 0.00 C ATOM 10 O ALA A 946 -19.255 8.727 5.853 1.00 0.00 O ATOM 11 CB ALA A 946 -22.095 7.368 5.724 1.00 0.00 C ATOM 0 H ALA A 946 -22.254 9.839 5.809 1.00 0.00 H new ATOM 0 HA ALA A 946 -21.695 7.841 7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -21.796 6.324 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -23.175 7.449 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -21.813 7.738 4.738 1.00 0.00 H new ATOM 17 N MET A 947 -19.311 7.139 7.452 1.00 0.00 N ATOM 18 CA MET A 947 -17.872 6.892 7.408 1.00 0.00 C ATOM 19 C MET A 947 -17.574 5.746 6.448 1.00 0.00 C ATOM 20 O MET A 947 -17.365 4.608 6.867 1.00 0.00 O ATOM 21 CB MET A 947 -17.360 6.544 8.807 1.00 0.00 C ATOM 22 CG MET A 947 -15.843 6.354 8.767 1.00 0.00 C ATOM 23 SD MET A 947 -15.226 6.057 10.445 1.00 0.00 S ATOM 24 CE MET A 947 -15.433 7.738 11.094 1.00 0.00 C ATOM 0 H MET A 947 -19.818 6.566 8.127 1.00 0.00 H new ATOM 0 HA MET A 947 -17.367 7.792 7.058 1.00 0.00 H new ATOM 0 HB2 MET A 947 -17.619 7.338 9.508 1.00 0.00 H new ATOM 0 HB3 MET A 947 -17.841 5.634 9.165 1.00 0.00 H new ATOM 0 HG2 MET A 947 -15.588 5.514 8.121 1.00 0.00 H new ATOM 0 HG3 MET A 947 -15.366 7.238 8.344 1.00 0.00 H new ATOM 0 HE1 MET A 947 -14.737 7.898 11.917 1.00 0.00 H new ATOM 0 HE2 MET A 947 -15.232 8.461 10.303 1.00 0.00 H new ATOM 0 HE3 MET A 947 -16.454 7.867 11.452 1.00 0.00 H new ATOM 34 N ALA A 948 -17.579 6.051 5.156 1.00 0.00 N ATOM 35 CA ALA A 948 -17.325 5.036 4.141 1.00 0.00 C ATOM 36 C ALA A 948 -15.851 4.642 4.088 1.00 0.00 C ATOM 37 O ALA A 948 -15.519 3.457 4.092 1.00 0.00 O ATOM 38 CB ALA A 948 -17.760 5.549 2.767 1.00 0.00 C ATOM 0 H ALA A 948 -17.755 6.986 4.788 1.00 0.00 H new ATOM 0 HA ALA A 948 -17.904 4.153 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -17.566 4.784 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -18.825 5.779 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -17.199 6.450 2.521 1.00 0.00 H new ATOM 44 N ILE A 949 -14.972 5.637 4.014 1.00 0.00 N ATOM 45 CA ILE A 949 -13.539 5.367 3.933 1.00 0.00 C ATOM 46 C ILE A 949 -12.985 4.808 5.244 1.00 0.00 C ATOM 47 O ILE A 949 -12.246 3.829 5.233 1.00 0.00 O ATOM 48 CB ILE A 949 -12.786 6.639 3.519 1.00 0.00 C ATOM 49 CG1 ILE A 949 -13.211 7.820 4.398 1.00 0.00 C ATOM 50 CG2 ILE A 949 -13.106 6.957 2.056 1.00 0.00 C ATOM 51 CD1 ILE A 949 -12.335 9.035 4.082 1.00 0.00 C ATOM 0 H ILE A 949 -15.222 6.626 4.008 1.00 0.00 H new ATOM 0 HA ILE A 949 -13.387 4.601 3.173 1.00 0.00 H new ATOM 0 HB ILE A 949 -11.715 6.475 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -14.260 8.059 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -13.117 7.555 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -12.574 7.860 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -12.793 6.124 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -14.179 7.114 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -12.638 9.875 4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -11.291 8.792 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -12.451 9.304 3.032 1.00 0.00 H new ATOM 63 N ALA A 950 -13.351 5.413 6.365 1.00 0.00 N ATOM 64 CA ALA A 950 -12.880 4.945 7.668 1.00 0.00 C ATOM 65 C ALA A 950 -11.353 4.999 7.778 1.00 0.00 C ATOM 66 O ALA A 950 -10.793 4.609 8.803 1.00 0.00 O ATOM 67 CB ALA A 950 -13.355 3.509 7.910 1.00 0.00 C ATOM 0 H ALA A 950 -13.968 6.224 6.403 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.297 5.611 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.000 3.167 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -14.444 3.478 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -12.959 2.858 7.130 1.00 0.00 H new ATOM 73 N LEU A 951 -10.679 5.480 6.734 1.00 0.00 N ATOM 74 CA LEU A 951 -9.216 5.567 6.765 1.00 0.00 C ATOM 75 C LEU A 951 -8.760 6.742 7.630 1.00 0.00 C ATOM 76 O LEU A 951 -9.375 7.809 7.636 1.00 0.00 O ATOM 77 CB LEU A 951 -8.645 5.715 5.335 1.00 0.00 C ATOM 78 CG LEU A 951 -8.331 4.339 4.730 1.00 0.00 C ATOM 79 CD1 LEU A 951 -9.603 3.520 4.594 1.00 0.00 C ATOM 80 CD2 LEU A 951 -7.696 4.528 3.351 1.00 0.00 C ATOM 0 H LEU A 951 -11.110 5.810 5.871 1.00 0.00 H new ATOM 0 HA LEU A 951 -8.836 4.643 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.363 6.240 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.740 6.322 5.361 1.00 0.00 H new ATOM 0 HG LEU A 951 -7.641 3.810 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -9.365 2.547 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.054 3.382 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.304 4.043 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -7.471 3.554 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.389 5.063 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -6.775 5.102 3.450 1.00 0.00 H new ATOM 92 N ARG A 952 -7.663 6.526 8.348 1.00 0.00 N ATOM 93 CA ARG A 952 -7.094 7.553 9.212 1.00 0.00 C ATOM 94 C ARG A 952 -6.212 8.491 8.398 1.00 0.00 C ATOM 95 O ARG A 952 -5.988 8.266 7.209 1.00 0.00 O ATOM 96 CB ARG A 952 -6.258 6.895 10.312 1.00 0.00 C ATOM 97 CG ARG A 952 -7.171 6.094 11.242 1.00 0.00 C ATOM 98 CD ARG A 952 -6.320 5.344 12.269 1.00 0.00 C ATOM 99 NE ARG A 952 -5.549 4.295 11.602 1.00 0.00 N ATOM 100 CZ ARG A 952 -4.334 3.942 12.022 1.00 0.00 C ATOM 101 NH1 ARG A 952 -3.808 4.511 13.074 1.00 0.00 N ATOM 102 NH2 ARG A 952 -3.668 3.019 11.384 1.00 0.00 N ATOM 0 H ARG A 952 -7.149 5.645 8.348 1.00 0.00 H new ATOM 0 HA ARG A 952 -7.905 8.125 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.508 6.240 9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.722 7.656 10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.868 6.762 11.749 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.768 5.389 10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -5.647 6.038 12.774 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -6.960 4.906 13.035 1.00 0.00 H new ATOM 0 HE ARG A 952 -5.952 3.821 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -4.327 5.229 13.579 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -2.878 4.237 13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -4.077 2.569 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -2.738 2.748 11.704 1.00 0.00 H new ATOM 116 N ASP A 953 -5.707 9.538 9.039 1.00 0.00 N ATOM 117 CA ASP A 953 -4.843 10.486 8.346 1.00 0.00 C ATOM 118 C ASP A 953 -3.566 9.790 7.887 1.00 0.00 C ATOM 119 O ASP A 953 -3.044 10.077 6.809 1.00 0.00 O ATOM 120 CB ASP A 953 -4.496 11.661 9.262 1.00 0.00 C ATOM 121 CG ASP A 953 -3.822 11.160 10.535 1.00 0.00 C ATOM 122 OD1 ASP A 953 -3.860 9.966 10.776 1.00 0.00 O ATOM 123 OD2 ASP A 953 -3.273 11.984 11.250 1.00 0.00 O ATOM 0 H ASP A 953 -5.877 9.751 10.022 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.375 10.868 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.835 12.354 8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -5.401 12.213 9.515 1.00 0.00 H new ATOM 128 N ASP A 954 -3.078 8.861 8.703 1.00 0.00 N ATOM 129 CA ASP A 954 -1.877 8.113 8.356 1.00 0.00 C ATOM 130 C ASP A 954 -2.187 7.136 7.229 1.00 0.00 C ATOM 131 O ASP A 954 -1.405 6.971 6.292 1.00 0.00 O ATOM 132 CB ASP A 954 -1.361 7.351 9.578 1.00 0.00 C ATOM 133 CG ASP A 954 0.018 6.771 9.290 1.00 0.00 C ATOM 134 OD1 ASP A 954 0.404 6.758 8.132 1.00 0.00 O ATOM 135 OD2 ASP A 954 0.671 6.350 10.230 1.00 0.00 O ATOM 0 H ASP A 954 -3.492 8.610 9.601 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.108 8.810 8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -1.311 8.019 10.438 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -2.054 6.550 9.836 1.00 0.00 H new ATOM 140 N GLU A 955 -3.351 6.503 7.326 1.00 0.00 N ATOM 141 CA GLU A 955 -3.790 5.548 6.317 1.00 0.00 C ATOM 142 C GLU A 955 -4.034 6.248 4.985 1.00 0.00 C ATOM 143 O GLU A 955 -3.718 5.714 3.923 1.00 0.00 O ATOM 144 CB GLU A 955 -5.078 4.873 6.781 1.00 0.00 C ATOM 145 CG GLU A 955 -4.793 4.004 8.006 1.00 0.00 C ATOM 146 CD GLU A 955 -3.925 2.813 7.610 1.00 0.00 C ATOM 147 OE1 GLU A 955 -3.912 2.480 6.438 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.293 2.248 8.488 1.00 0.00 O ATOM 0 H GLU A 955 -4.008 6.635 8.095 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.009 4.800 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.827 5.626 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.489 4.262 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.288 4.594 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.730 3.654 8.440 1.00 0.00 H new ATOM 155 N TYR A 956 -4.591 7.451 5.056 1.00 0.00 N ATOM 156 CA TYR A 956 -4.868 8.228 3.854 1.00 0.00 C ATOM 157 C TYR A 956 -3.574 8.464 3.082 1.00 0.00 C ATOM 158 O TYR A 956 -3.531 8.319 1.860 1.00 0.00 O ATOM 159 CB TYR A 956 -5.494 9.571 4.247 1.00 0.00 C ATOM 160 CG TYR A 956 -5.634 10.453 3.031 1.00 0.00 C ATOM 161 CD1 TYR A 956 -4.582 11.296 2.660 1.00 0.00 C ATOM 162 CD2 TYR A 956 -6.812 10.430 2.275 1.00 0.00 C ATOM 163 CE1 TYR A 956 -4.705 12.117 1.534 1.00 0.00 C ATOM 164 CE2 TYR A 956 -6.936 11.255 1.149 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.882 12.097 0.779 1.00 0.00 C ATOM 166 OH TYR A 956 -6.002 12.909 -0.333 1.00 0.00 O ATOM 0 H TYR A 956 -4.858 7.908 5.928 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.563 7.678 3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.471 9.407 4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.874 10.065 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -3.673 11.313 3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -7.624 9.777 2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -3.891 12.766 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -7.846 11.241 0.567 1.00 0.00 H new ATOM 0 HH TYR A 956 -6.881 12.773 -0.744 1.00 0.00 H new ATOM 176 N ASP A 957 -2.521 8.815 3.804 1.00 0.00 N ATOM 177 CA ASP A 957 -1.227 9.058 3.176 1.00 0.00 C ATOM 178 C ASP A 957 -0.730 7.788 2.493 1.00 0.00 C ATOM 179 O ASP A 957 -0.148 7.838 1.409 1.00 0.00 O ATOM 180 CB ASP A 957 -0.215 9.515 4.229 1.00 0.00 C ATOM 181 CG ASP A 957 1.138 9.780 3.576 1.00 0.00 C ATOM 182 OD1 ASP A 957 1.280 9.478 2.402 1.00 0.00 O ATOM 183 OD2 ASP A 957 2.011 10.287 4.261 1.00 0.00 O ATOM 0 H ASP A 957 -2.534 8.938 4.817 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.339 9.841 2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.573 10.419 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.112 8.752 5.001 1.00 0.00 H new ATOM 188 N GLU A 958 -0.970 6.648 3.133 1.00 0.00 N ATOM 189 CA GLU A 958 -0.549 5.369 2.573 1.00 0.00 C ATOM 190 C GLU A 958 -1.329 5.058 1.298 1.00 0.00 C ATOM 191 O GLU A 958 -0.762 4.570 0.319 1.00 0.00 O ATOM 192 CB GLU A 958 -0.759 4.251 3.598 1.00 0.00 C ATOM 193 CG GLU A 958 0.213 4.439 4.762 1.00 0.00 C ATOM 194 CD GLU A 958 -0.053 3.392 5.840 1.00 0.00 C ATOM 195 OE1 GLU A 958 -0.963 2.601 5.659 1.00 0.00 O ATOM 196 OE2 GLU A 958 0.656 3.403 6.834 1.00 0.00 O ATOM 0 H GLU A 958 -1.449 6.583 4.031 1.00 0.00 H new ATOM 0 HA GLU A 958 0.511 5.433 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -1.786 4.265 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -0.600 3.279 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 958 1.240 4.354 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.103 5.439 5.180 1.00 0.00 H new ATOM 203 N TRP A 959 -2.627 5.347 1.305 1.00 0.00 N ATOM 204 CA TRP A 959 -3.451 5.097 0.130 1.00 0.00 C ATOM 205 C TRP A 959 -2.960 5.962 -1.030 1.00 0.00 C ATOM 206 O TRP A 959 -2.825 5.498 -2.153 1.00 0.00 O ATOM 207 CB TRP A 959 -4.924 5.377 0.459 1.00 0.00 C ATOM 208 CG TRP A 959 -5.754 5.425 -0.781 1.00 0.00 C ATOM 209 CD1 TRP A 959 -5.935 4.400 -1.642 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.535 6.533 -1.295 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.785 4.810 -2.653 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.181 6.121 -2.481 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.743 7.846 -0.844 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.013 6.987 -3.197 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.575 8.720 -1.562 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.210 8.291 -2.736 1.00 0.00 C ATOM 0 H TRP A 959 -3.124 5.749 2.100 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.369 4.052 -0.167 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.304 4.602 1.125 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.007 6.324 0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.489 3.420 -1.555 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.082 4.218 -3.429 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.260 8.186 0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.500 6.650 -4.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.727 9.729 -1.208 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -8.850 8.967 -3.283 1.00 0.00 H new ATOM 227 N GLN A 960 -2.662 7.219 -0.761 1.00 0.00 N ATOM 228 CA GLN A 960 -2.161 8.085 -1.817 1.00 0.00 C ATOM 229 C GLN A 960 -0.803 7.590 -2.297 1.00 0.00 C ATOM 230 O GLN A 960 -0.474 7.690 -3.484 1.00 0.00 O ATOM 231 CB GLN A 960 -2.051 9.530 -1.318 1.00 0.00 C ATOM 232 CG GLN A 960 -3.451 10.115 -1.127 1.00 0.00 C ATOM 233 CD GLN A 960 -4.131 10.286 -2.481 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.665 11.061 -3.316 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.198 9.588 -2.764 1.00 0.00 N ATOM 0 H GLN A 960 -2.754 7.657 0.155 1.00 0.00 H new ATOM 0 HA GLN A 960 -2.862 8.060 -2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.502 9.560 -0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.489 10.131 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.046 9.458 -0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.386 11.077 -0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.585 8.945 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.644 9.685 -3.676 1.00 0.00 H new ATOM 244 N ASP A 961 -0.014 7.054 -1.376 1.00 0.00 N ATOM 245 CA ASP A 961 1.303 6.550 -1.730 1.00 0.00 C ATOM 246 C ASP A 961 1.190 5.364 -2.687 1.00 0.00 C ATOM 247 O ASP A 961 1.980 5.237 -3.628 1.00 0.00 O ATOM 248 CB ASP A 961 2.068 6.115 -0.474 1.00 0.00 C ATOM 249 CG ASP A 961 3.548 5.951 -0.805 1.00 0.00 C ATOM 250 OD1 ASP A 961 3.883 6.024 -1.974 1.00 0.00 O ATOM 251 OD2 ASP A 961 4.325 5.762 0.116 1.00 0.00 O ATOM 0 H ASP A 961 -0.260 6.958 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 961 1.847 7.356 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.942 6.856 0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 961 1.663 5.176 -0.097 1.00 0.00 H new ATOM 256 N ILE A 962 0.207 4.491 -2.454 1.00 0.00 N ATOM 257 CA ILE A 962 0.039 3.328 -3.318 1.00 0.00 C ATOM 258 C ILE A 962 -0.430 3.785 -4.695 1.00 0.00 C ATOM 259 O ILE A 962 -0.020 3.231 -5.716 1.00 0.00 O ATOM 260 CB ILE A 962 -0.925 2.286 -2.681 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.483 0.855 -3.064 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.370 2.498 -3.166 1.00 0.00 C ATOM 263 CD1 ILE A 962 0.630 0.367 -2.126 1.00 0.00 C ATOM 0 H ILE A 962 -0.468 4.566 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 962 0.998 2.823 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.888 2.417 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -1.335 0.178 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 962 -0.130 0.841 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -3.021 1.756 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.704 3.497 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.409 2.391 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 962 0.929 -0.642 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 962 1.488 1.035 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 962 0.264 0.361 -1.099 1.00 0.00 H new ATOM 275 N ILE A 963 -1.275 4.816 -4.720 1.00 0.00 N ATOM 276 CA ILE A 963 -1.763 5.341 -5.987 1.00 0.00 C ATOM 277 C ILE A 963 -0.581 5.818 -6.814 1.00 0.00 C ATOM 278 O ILE A 963 -0.495 5.548 -8.012 1.00 0.00 O ATOM 279 CB ILE A 963 -2.729 6.503 -5.741 1.00 0.00 C ATOM 280 CG1 ILE A 963 -4.013 5.937 -5.129 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.035 7.232 -7.064 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.969 7.062 -4.701 1.00 0.00 C ATOM 0 H ILE A 963 -1.628 5.294 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.295 4.555 -6.524 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.281 7.226 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.509 5.290 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.766 5.319 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.723 8.056 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.109 7.622 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.489 6.534 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.871 6.628 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.480 7.693 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.235 7.664 -5.570 1.00 0.00 H new ATOM 294 N ARG A 964 0.341 6.506 -6.155 1.00 0.00 N ATOM 295 CA ARG A 964 1.535 6.990 -6.830 1.00 0.00 C ATOM 296 C ARG A 964 2.307 5.805 -7.396 1.00 0.00 C ATOM 297 O ARG A 964 2.826 5.857 -8.512 1.00 0.00 O ATOM 298 CB ARG A 964 2.417 7.741 -5.829 1.00 0.00 C ATOM 299 CG ARG A 964 3.635 8.347 -6.542 1.00 0.00 C ATOM 300 CD ARG A 964 3.188 9.442 -7.525 1.00 0.00 C ATOM 301 NE ARG A 964 2.975 8.864 -8.852 1.00 0.00 N ATOM 302 CZ ARG A 964 2.093 9.381 -9.706 1.00 0.00 C ATOM 303 NH1 ARG A 964 1.407 10.442 -9.378 1.00 0.00 N ATOM 304 NH2 ARG A 964 1.914 8.827 -10.872 1.00 0.00 N ATOM 0 H ARG A 964 0.286 6.739 -5.164 1.00 0.00 H new ATOM 0 HA ARG A 964 1.251 7.663 -7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.840 8.530 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.748 7.061 -5.044 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.323 8.767 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 964 4.177 7.567 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 964 2.269 9.908 -7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 964 3.943 10.226 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 964 3.515 8.045 -9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 964 1.546 10.877 -8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 964 0.732 10.836 -10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 964 2.449 7.998 -11.130 1.00 0.00 H new ATOM 0 HH22 ARG A 964 1.239 9.222 -11.526 1.00 0.00 H new ATOM 318 N ASP A 965 2.399 4.747 -6.596 1.00 0.00 N ATOM 319 CA ASP A 965 3.128 3.548 -6.982 1.00 0.00 C ATOM 320 C ASP A 965 2.508 2.830 -8.187 1.00 0.00 C ATOM 321 O ASP A 965 3.237 2.339 -9.050 1.00 0.00 O ATOM 322 CB ASP A 965 3.190 2.599 -5.793 1.00 0.00 C ATOM 323 CG ASP A 965 4.125 3.161 -4.727 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.054 3.865 -5.091 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.895 2.889 -3.562 1.00 0.00 O ATOM 0 H ASP A 965 1.974 4.698 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 965 4.129 3.858 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 965 2.193 2.459 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 965 3.541 1.619 -6.117 1.00 0.00 H new ATOM 330 N TRP A 966 1.178 2.745 -8.246 1.00 0.00 N ATOM 331 CA TRP A 966 0.534 2.049 -9.361 1.00 0.00 C ATOM 332 C TRP A 966 0.606 2.884 -10.637 1.00 0.00 C ATOM 333 O TRP A 966 0.127 2.465 -11.690 1.00 0.00 O ATOM 334 CB TRP A 966 -0.938 1.753 -9.062 1.00 0.00 C ATOM 335 CG TRP A 966 -1.077 0.912 -7.838 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.640 1.326 -6.685 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.669 -0.476 -7.626 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.623 0.288 -5.779 1.00 0.00 N ATOM 339 CE2 TRP A 966 -1.025 -0.844 -6.304 1.00 0.00 C ATOM 340 CE3 TRP A 966 -0.035 -1.434 -8.435 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.761 -2.119 -5.808 1.00 0.00 C ATOM 342 CZ3 TRP A 966 0.233 -2.720 -7.937 1.00 0.00 C ATOM 343 CH2 TRP A 966 -0.128 -3.061 -6.626 1.00 0.00 C ATOM 0 H TRP A 966 0.540 3.138 -7.554 1.00 0.00 H new ATOM 0 HA TRP A 966 1.071 1.110 -9.498 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.481 2.689 -8.928 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -1.390 1.242 -9.912 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -2.040 2.312 -6.501 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -2.005 0.347 -4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 966 0.248 -1.180 -9.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -1.043 -2.378 -4.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 0.720 -3.450 -8.567 1.00 0.00 H new ATOM 0 HH2 TRP A 966 0.082 -4.050 -6.248 1.00 0.00 H new ATOM 354 N ARG A 967 1.214 4.061 -10.541 1.00 0.00 N ATOM 355 CA ARG A 967 1.352 4.939 -11.699 1.00 0.00 C ATOM 356 C ARG A 967 -0.012 5.236 -12.329 1.00 0.00 C ATOM 357 O ARG A 967 -0.088 5.739 -13.451 1.00 0.00 O ATOM 358 CB ARG A 967 2.267 4.278 -12.734 1.00 0.00 C ATOM 359 CG ARG A 967 3.685 4.182 -12.171 1.00 0.00 C ATOM 360 CD ARG A 967 4.562 3.393 -13.145 1.00 0.00 C ATOM 361 NE ARG A 967 5.924 3.284 -12.637 1.00 0.00 N ATOM 362 CZ ARG A 967 6.761 2.374 -13.129 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.353 1.563 -14.065 1.00 0.00 N ATOM 364 NH2 ARG A 967 7.980 2.290 -12.671 1.00 0.00 N ATOM 0 H ARG A 967 1.617 4.428 -9.679 1.00 0.00 H new ATOM 0 HA ARG A 967 1.788 5.882 -11.369 1.00 0.00 H new ATOM 0 HB2 ARG A 967 1.895 3.284 -12.983 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.269 4.858 -13.657 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.097 5.180 -12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.670 3.692 -11.198 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.143 2.398 -13.295 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.569 3.886 -14.117 1.00 0.00 H new ATOM 0 HE ARG A 967 6.239 3.912 -11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 967 5.397 1.628 -14.416 1.00 0.00 H new ATOM 0 HH12 ARG A 967 6.989 0.863 -14.447 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.293 2.923 -11.935 1.00 0.00 H new ATOM 0 HH22 ARG A 967 8.620 1.592 -13.049 1.00 0.00 H new ATOM 378 N LYS A 968 -1.088 4.937 -11.597 1.00 0.00 N ATOM 379 CA LYS A 968 -2.444 5.196 -12.091 1.00 0.00 C ATOM 380 C LYS A 968 -3.395 5.459 -10.925 1.00 0.00 C ATOM 381 O LYS A 968 -3.182 4.970 -9.815 1.00 0.00 O ATOM 382 CB LYS A 968 -2.954 4.017 -12.931 1.00 0.00 C ATOM 383 CG LYS A 968 -3.137 2.779 -12.051 1.00 0.00 C ATOM 384 CD LYS A 968 -3.570 1.596 -12.917 1.00 0.00 C ATOM 385 CE LYS A 968 -3.765 0.361 -12.036 1.00 0.00 C ATOM 386 NZ LYS A 968 -4.154 -0.797 -12.889 1.00 0.00 N ATOM 0 H LYS A 968 -1.049 4.519 -10.668 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.410 6.082 -12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.901 4.280 -13.402 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -2.248 3.801 -13.733 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.205 2.545 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.885 2.974 -11.282 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -4.497 1.834 -13.438 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.818 1.396 -13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -2.845 0.137 -11.496 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.535 0.551 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -4.287 -1.638 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -5.042 -0.580 -13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -3.405 -0.982 -13.586 1.00 0.00 H new ATOM 400 N GLU A 969 -4.441 6.234 -11.186 1.00 0.00 N ATOM 401 CA GLU A 969 -5.422 6.566 -10.158 1.00 0.00 C ATOM 402 C GLU A 969 -6.369 5.392 -9.906 1.00 0.00 C ATOM 403 O GLU A 969 -6.906 4.800 -10.844 1.00 0.00 O ATOM 404 CB GLU A 969 -6.232 7.785 -10.608 1.00 0.00 C ATOM 405 CG GLU A 969 -7.104 8.294 -9.456 1.00 0.00 C ATOM 406 CD GLU A 969 -6.235 8.964 -8.397 1.00 0.00 C ATOM 407 OE1 GLU A 969 -5.051 9.125 -8.645 1.00 0.00 O ATOM 408 OE2 GLU A 969 -6.767 9.312 -7.356 1.00 0.00 O ATOM 0 H GLU A 969 -4.632 6.644 -12.100 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.893 6.787 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.559 8.575 -10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -6.859 7.520 -11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -7.842 9.002 -9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.656 7.465 -9.013 1.00 0.00 H new ATOM 415 N MET A 970 -6.585 5.072 -8.629 1.00 0.00 N ATOM 416 CA MET A 970 -7.491 3.984 -8.248 1.00 0.00 C ATOM 417 C MET A 970 -8.344 4.430 -7.063 1.00 0.00 C ATOM 418 O MET A 970 -8.396 5.618 -6.748 1.00 0.00 O ATOM 419 CB MET A 970 -6.710 2.716 -7.885 1.00 0.00 C ATOM 420 CG MET A 970 -5.536 3.075 -6.981 1.00 0.00 C ATOM 421 SD MET A 970 -4.640 1.568 -6.521 1.00 0.00 S ATOM 422 CE MET A 970 -5.077 1.519 -4.762 1.00 0.00 C ATOM 0 H MET A 970 -6.146 5.549 -7.841 1.00 0.00 H new ATOM 0 HA MET A 970 -8.133 3.751 -9.098 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.365 2.006 -7.381 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.348 2.229 -8.790 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.867 3.766 -7.494 1.00 0.00 H new ATOM 0 HG3 MET A 970 -5.895 3.584 -6.087 1.00 0.00 H new ATOM 0 HE1 MET A 970 -4.429 0.811 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 970 -4.950 2.511 -4.328 1.00 0.00 H new ATOM 0 HE3 MET A 970 -6.115 1.206 -4.654 1.00 0.00 H new ATOM 432 N THR A 971 -9.026 3.483 -6.424 1.00 0.00 N ATOM 433 CA THR A 971 -9.898 3.802 -5.288 1.00 0.00 C ATOM 434 C THR A 971 -9.407 3.157 -3.999 1.00 0.00 C ATOM 435 O THR A 971 -8.587 2.239 -4.014 1.00 0.00 O ATOM 436 CB THR A 971 -11.313 3.300 -5.583 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.278 1.892 -5.753 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.849 3.959 -6.857 1.00 0.00 C ATOM 0 H THR A 971 -8.995 2.493 -6.669 1.00 0.00 H new ATOM 0 HA THR A 971 -9.889 4.884 -5.153 1.00 0.00 H new ATOM 0 HB THR A 971 -11.970 3.556 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 971 -11.527 1.455 -4.912 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.857 3.595 -7.059 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.873 5.041 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.199 3.711 -7.696 1.00 0.00 H new ATOM 446 N VAL A 972 -9.947 3.644 -2.888 1.00 0.00 N ATOM 447 CA VAL A 972 -9.607 3.123 -1.573 1.00 0.00 C ATOM 448 C VAL A 972 -10.046 1.667 -1.467 1.00 0.00 C ATOM 449 O VAL A 972 -9.332 0.834 -0.927 1.00 0.00 O ATOM 450 CB VAL A 972 -10.323 3.951 -0.495 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.330 3.193 0.847 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.600 5.294 -0.335 1.00 0.00 C ATOM 0 H VAL A 972 -10.627 4.404 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.529 3.186 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.356 4.123 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -10.841 3.792 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -10.850 2.243 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.304 3.007 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.102 5.889 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.567 5.118 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.617 5.832 -1.283 1.00 0.00 H new ATOM 462 N GLN A 973 -11.237 1.384 -1.967 1.00 0.00 N ATOM 463 CA GLN A 973 -11.780 0.038 -1.904 1.00 0.00 C ATOM 464 C GLN A 973 -10.772 -0.985 -2.410 1.00 0.00 C ATOM 465 O GLN A 973 -10.516 -1.997 -1.759 1.00 0.00 O ATOM 466 CB GLN A 973 -13.034 -0.020 -2.764 1.00 0.00 C ATOM 467 CG GLN A 973 -14.155 0.777 -2.096 1.00 0.00 C ATOM 468 CD GLN A 973 -15.393 0.779 -2.985 1.00 0.00 C ATOM 469 OE1 GLN A 973 -15.386 0.182 -4.060 1.00 0.00 O ATOM 470 NE2 GLN A 973 -16.461 1.416 -2.594 1.00 0.00 N ATOM 0 H GLN A 973 -11.845 2.066 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.013 -0.201 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -12.827 0.386 -3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.344 -1.056 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -14.394 0.341 -1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -13.826 1.800 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -16.462 1.910 -1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -17.295 1.421 -3.181 1.00 0.00 H new ATOM 479 N GLN A 974 -10.191 -0.710 -3.566 1.00 0.00 N ATOM 480 CA GLN A 974 -9.196 -1.608 -4.144 1.00 0.00 C ATOM 481 C GLN A 974 -8.035 -1.794 -3.163 1.00 0.00 C ATOM 482 O GLN A 974 -7.586 -2.912 -2.915 1.00 0.00 O ATOM 483 CB GLN A 974 -8.687 -1.012 -5.466 1.00 0.00 C ATOM 484 CG GLN A 974 -9.673 -1.299 -6.613 1.00 0.00 C ATOM 485 CD GLN A 974 -11.126 -1.111 -6.169 1.00 0.00 C ATOM 486 OE1 GLN A 974 -11.609 -1.816 -5.284 1.00 0.00 O ATOM 487 NE2 GLN A 974 -11.863 -0.207 -6.753 1.00 0.00 N ATOM 0 H GLN A 974 -10.387 0.122 -4.123 1.00 0.00 H new ATOM 0 HA GLN A 974 -9.646 -2.581 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -8.553 0.064 -5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -7.710 -1.432 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.460 -0.636 -7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -9.530 -2.319 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.465 0.379 -7.487 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -12.837 -0.086 -6.476 1.00 0.00 H new ATOM 496 N PHE A 975 -7.568 -0.685 -2.603 1.00 0.00 N ATOM 497 CA PHE A 975 -6.472 -0.704 -1.634 1.00 0.00 C ATOM 498 C PHE A 975 -6.861 -1.492 -0.374 1.00 0.00 C ATOM 499 O PHE A 975 -6.108 -2.344 0.097 1.00 0.00 O ATOM 500 CB PHE A 975 -6.124 0.750 -1.282 1.00 0.00 C ATOM 501 CG PHE A 975 -5.315 0.834 -0.004 1.00 0.00 C ATOM 502 CD1 PHE A 975 -3.940 0.560 -0.011 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.940 1.209 1.194 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.199 0.661 1.175 1.00 0.00 C ATOM 505 CE2 PHE A 975 -5.204 1.307 2.377 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.832 1.032 2.369 1.00 0.00 C ATOM 0 H PHE A 975 -7.932 0.246 -2.803 1.00 0.00 H new ATOM 0 HA PHE A 975 -5.605 -1.203 -2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -5.561 1.199 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.041 1.328 -1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -3.452 0.271 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.998 1.424 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.139 0.453 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.693 1.594 3.296 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.261 1.106 3.283 1.00 0.00 H new ATOM 516 N LEU A 976 -8.037 -1.185 0.156 1.00 0.00 N ATOM 517 CA LEU A 976 -8.548 -1.838 1.358 1.00 0.00 C ATOM 518 C LEU A 976 -8.722 -3.334 1.129 1.00 0.00 C ATOM 519 O LEU A 976 -8.318 -4.153 1.954 1.00 0.00 O ATOM 520 CB LEU A 976 -9.893 -1.180 1.713 1.00 0.00 C ATOM 521 CG LEU A 976 -10.614 -1.935 2.824 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.711 -2.050 4.048 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.887 -1.169 3.190 1.00 0.00 C ATOM 0 H LEU A 976 -8.663 -0.479 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 976 -7.842 -1.719 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -9.723 -0.149 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -10.526 -1.145 0.826 1.00 0.00 H new ATOM 0 HG LEU A 976 -10.868 -2.939 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -10.234 -2.591 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.802 -2.589 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.451 -1.053 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -12.414 -1.698 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -11.624 -0.168 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -12.531 -1.095 2.314 1.00 0.00 H new ATOM 535 N ASP A 977 -9.304 -3.683 -0.002 1.00 0.00 N ATOM 536 CA ASP A 977 -9.506 -5.080 -0.344 1.00 0.00 C ATOM 537 C ASP A 977 -8.161 -5.773 -0.538 1.00 0.00 C ATOM 538 O ASP A 977 -7.983 -6.935 -0.163 1.00 0.00 O ATOM 539 CB ASP A 977 -10.313 -5.177 -1.639 1.00 0.00 C ATOM 540 CG ASP A 977 -10.722 -6.624 -1.897 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.908 -7.348 -0.934 1.00 0.00 O ATOM 542 OD2 ASP A 977 -10.842 -6.985 -3.056 1.00 0.00 O ATOM 0 H ASP A 977 -9.645 -3.021 -0.699 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.047 -5.568 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.200 -4.547 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.720 -4.804 -2.474 1.00 0.00 H new ATOM 547 N LEU A 978 -7.224 -5.046 -1.137 1.00 0.00 N ATOM 548 CA LEU A 978 -5.895 -5.580 -1.404 1.00 0.00 C ATOM 549 C LEU A 978 -5.116 -5.848 -0.123 1.00 0.00 C ATOM 550 O LEU A 978 -4.519 -6.911 0.031 1.00 0.00 O ATOM 551 CB LEU A 978 -5.136 -4.579 -2.286 1.00 0.00 C ATOM 552 CG LEU A 978 -3.669 -5.004 -2.467 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.600 -6.428 -3.026 1.00 0.00 C ATOM 554 CD2 LEU A 978 -2.986 -4.034 -3.445 1.00 0.00 C ATOM 0 H LEU A 978 -7.361 -4.084 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.002 -6.537 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.620 -4.507 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.178 -3.587 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.162 -4.979 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.557 -6.720 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.089 -7.114 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.105 -6.465 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.945 -4.327 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.499 -4.065 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.029 -3.022 -3.043 1.00 0.00 H new ATOM 566 N LYS A 979 -5.111 -4.884 0.789 1.00 0.00 N ATOM 567 CA LYS A 979 -4.384 -5.042 2.033 1.00 0.00 C ATOM 568 C LYS A 979 -5.077 -6.070 2.919 1.00 0.00 C ATOM 569 O LYS A 979 -4.428 -6.882 3.563 1.00 0.00 O ATOM 570 CB LYS A 979 -4.257 -3.667 2.715 1.00 0.00 C ATOM 571 CG LYS A 979 -5.446 -3.375 3.629 1.00 0.00 C ATOM 572 CD LYS A 979 -5.339 -1.933 4.136 1.00 0.00 C ATOM 573 CE LYS A 979 -6.246 -1.739 5.353 1.00 0.00 C ATOM 574 NZ LYS A 979 -6.232 -0.306 5.758 1.00 0.00 N ATOM 0 H LYS A 979 -5.599 -3.994 0.689 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.379 -5.418 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -3.335 -3.633 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.183 -2.890 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -6.381 -3.516 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -5.456 -4.070 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -4.306 -1.708 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -5.623 -1.239 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -7.263 -2.051 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -5.905 -2.365 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -6.848 -0.173 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -5.261 -0.023 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -6.577 0.280 4.971 1.00 0.00 H new ATOM 588 N GLU A 980 -6.401 -6.039 2.936 1.00 0.00 N ATOM 589 CA GLU A 980 -7.152 -6.990 3.743 1.00 0.00 C ATOM 590 C GLU A 980 -6.788 -8.411 3.327 1.00 0.00 C ATOM 591 O GLU A 980 -6.452 -9.254 4.162 1.00 0.00 O ATOM 592 CB GLU A 980 -8.653 -6.765 3.543 1.00 0.00 C ATOM 593 CG GLU A 980 -9.437 -7.577 4.578 1.00 0.00 C ATOM 594 CD GLU A 980 -9.301 -6.931 5.953 1.00 0.00 C ATOM 595 OE1 GLU A 980 -8.332 -7.228 6.631 1.00 0.00 O ATOM 596 OE2 GLU A 980 -10.165 -6.145 6.305 1.00 0.00 O ATOM 0 H GLU A 980 -6.971 -5.377 2.409 1.00 0.00 H new ATOM 0 HA GLU A 980 -6.904 -6.845 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -8.889 -5.705 3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -8.945 -7.063 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -10.488 -7.629 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.064 -8.601 4.609 1.00 0.00 H new ATOM 603 N ARG A 981 -6.844 -8.666 2.024 1.00 0.00 N ATOM 604 CA ARG A 981 -6.513 -9.984 1.503 1.00 0.00 C ATOM 605 C ARG A 981 -5.041 -10.322 1.740 1.00 0.00 C ATOM 606 O ARG A 981 -4.711 -11.438 2.141 1.00 0.00 O ATOM 607 CB ARG A 981 -6.820 -10.039 0.004 1.00 0.00 C ATOM 608 CG ARG A 981 -8.335 -10.041 -0.206 1.00 0.00 C ATOM 609 CD ARG A 981 -8.642 -10.041 -1.704 1.00 0.00 C ATOM 610 NE ARG A 981 -10.081 -10.127 -1.929 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.571 -10.412 -3.132 1.00 0.00 C ATOM 612 NH1 ARG A 981 -9.760 -10.610 -4.135 1.00 0.00 N ATOM 613 NH2 ARG A 981 -11.860 -10.493 -3.309 1.00 0.00 N ATOM 0 H ARG A 981 -7.113 -7.983 1.316 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.120 -10.719 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.373 -9.183 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.380 -10.934 -0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.777 -10.918 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.780 -9.166 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.250 -9.133 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -8.142 -10.882 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.721 -9.966 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.752 -10.546 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -10.135 -10.829 -5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.493 -10.338 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -12.235 -10.712 -4.232 1.00 0.00 H new ATOM 627 N ALA A 982 -4.159 -9.359 1.491 1.00 0.00 N ATOM 628 CA ALA A 982 -2.727 -9.586 1.677 1.00 0.00 C ATOM 629 C ALA A 982 -2.404 -9.871 3.142 1.00 0.00 C ATOM 630 O ALA A 982 -1.612 -10.760 3.454 1.00 0.00 O ATOM 631 CB ALA A 982 -1.937 -8.360 1.193 1.00 0.00 C ATOM 0 H ALA A 982 -4.405 -8.425 1.164 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.438 -10.457 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -0.871 -8.535 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.140 -8.191 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.239 -7.483 1.765 1.00 0.00 H new ATOM 637 N LEU A 983 -3.027 -9.112 4.030 1.00 0.00 N ATOM 638 CA LEU A 983 -2.814 -9.280 5.461 1.00 0.00 C ATOM 639 C LEU A 983 -3.411 -10.609 5.894 1.00 0.00 C ATOM 640 O LEU A 983 -2.983 -11.214 6.877 1.00 0.00 O ATOM 641 CB LEU A 983 -3.470 -8.121 6.244 1.00 0.00 C ATOM 642 CG LEU A 983 -2.497 -6.943 6.393 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.189 -6.299 5.035 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.113 -5.905 7.338 1.00 0.00 C ATOM 0 H LEU A 983 -3.685 -8.372 3.786 1.00 0.00 H new ATOM 0 HA LEU A 983 -1.745 -9.270 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.371 -7.791 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -3.778 -8.471 7.229 1.00 0.00 H new ATOM 0 HG LEU A 983 -1.558 -7.314 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.497 -5.468 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.738 -7.040 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.113 -5.931 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.429 -5.064 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.058 -5.552 6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.291 -6.360 8.312 1.00 0.00 H new ATOM 656 N SER A 984 -4.416 -11.041 5.149 1.00 0.00 N ATOM 657 CA SER A 984 -5.098 -12.294 5.450 1.00 0.00 C ATOM 658 C SER A 984 -4.272 -13.492 4.983 1.00 0.00 C ATOM 659 O SER A 984 -4.666 -14.642 5.179 1.00 0.00 O ATOM 660 CB SER A 984 -6.470 -12.322 4.774 1.00 0.00 C ATOM 661 OG SER A 984 -7.134 -13.531 5.116 1.00 0.00 O ATOM 0 H SER A 984 -4.778 -10.546 4.334 1.00 0.00 H new ATOM 0 HA SER A 984 -5.224 -12.359 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.063 -11.465 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.358 -12.248 3.692 1.00 0.00 H new ATOM 0 HG SER A 984 -6.481 -14.260 5.168 1.00 0.00 H new ATOM 667 N GLY A 985 -3.115 -13.219 4.378 1.00 0.00 N ATOM 668 CA GLY A 985 -2.230 -14.286 3.907 1.00 0.00 C ATOM 669 C GLY A 985 -2.478 -14.636 2.440 1.00 0.00 C ATOM 670 O GLY A 985 -2.107 -15.718 1.986 1.00 0.00 O ATOM 0 H GLY A 985 -2.770 -12.275 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.192 -13.978 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.377 -15.175 4.521 1.00 0.00 H new ATOM 674 N ALA A 986 -3.084 -13.719 1.696 1.00 0.00 N ATOM 675 CA ALA A 986 -3.343 -13.966 0.281 1.00 0.00 C ATOM 676 C ALA A 986 -2.035 -14.063 -0.482 1.00 0.00 C ATOM 677 O ALA A 986 -1.069 -13.367 -0.169 1.00 0.00 O ATOM 678 CB ALA A 986 -4.176 -12.843 -0.320 1.00 0.00 C ATOM 0 H ALA A 986 -3.401 -12.812 2.040 1.00 0.00 H new ATOM 0 HA ALA A 986 -3.891 -14.905 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.357 -13.049 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.129 -12.776 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.640 -11.899 -0.221 1.00 0.00 H new ATOM 684 N SER A 987 -2.010 -14.931 -1.489 1.00 0.00 N ATOM 685 CA SER A 987 -0.812 -15.119 -2.303 1.00 0.00 C ATOM 686 C SER A 987 -0.993 -14.517 -3.686 1.00 0.00 C ATOM 687 O SER A 987 -0.083 -14.570 -4.513 1.00 0.00 O ATOM 688 CB SER A 987 -0.494 -16.609 -2.423 1.00 0.00 C ATOM 689 OG SER A 987 -1.571 -17.263 -3.082 1.00 0.00 O ATOM 0 H SER A 987 -2.802 -15.514 -1.761 1.00 0.00 H new ATOM 0 HA SER A 987 0.017 -14.609 -1.814 1.00 0.00 H new ATOM 0 HB2 SER A 987 0.431 -16.752 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.340 -17.041 -1.434 1.00 0.00 H new ATOM 0 HG SER A 987 -1.372 -18.219 -3.164 1.00 0.00 H new ATOM 695 N ASP A 988 -2.159 -13.916 -3.936 1.00 0.00 N ATOM 696 CA ASP A 988 -2.408 -13.287 -5.229 1.00 0.00 C ATOM 697 C ASP A 988 -1.180 -12.462 -5.610 1.00 0.00 C ATOM 698 O ASP A 988 -0.465 -11.999 -4.728 1.00 0.00 O ATOM 699 CB ASP A 988 -3.645 -12.382 -5.141 1.00 0.00 C ATOM 700 CG ASP A 988 -4.918 -13.214 -5.251 1.00 0.00 C ATOM 701 OD1 ASP A 988 -5.201 -13.953 -4.320 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.594 -13.099 -6.259 1.00 0.00 O ATOM 0 H ASP A 988 -2.931 -13.853 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.592 -14.049 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.639 -11.837 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.618 -11.639 -5.938 1.00 0.00 H new ATOM 707 N PRO A 989 -0.898 -12.283 -6.871 1.00 0.00 N ATOM 708 CA PRO A 989 0.309 -11.514 -7.300 1.00 0.00 C ATOM 709 C PRO A 989 0.304 -10.105 -6.709 1.00 0.00 C ATOM 710 O PRO A 989 1.329 -9.612 -6.234 1.00 0.00 O ATOM 711 CB PRO A 989 0.215 -11.500 -8.840 1.00 0.00 C ATOM 712 CG PRO A 989 -1.207 -11.855 -9.154 1.00 0.00 C ATOM 713 CD PRO A 989 -1.670 -12.764 -8.020 1.00 0.00 C ATOM 0 HA PRO A 989 1.242 -11.959 -6.953 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.473 -10.520 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 989 0.906 -12.217 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.828 -10.961 -9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -1.280 -12.362 -10.116 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.743 -12.679 -7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.463 -13.813 -8.234 1.00 0.00 H new ATOM 721 N ASP A 990 -0.861 -9.476 -6.716 1.00 0.00 N ATOM 722 CA ASP A 990 -0.998 -8.140 -6.158 1.00 0.00 C ATOM 723 C ASP A 990 -0.793 -8.188 -4.642 1.00 0.00 C ATOM 724 O ASP A 990 -0.250 -7.259 -4.048 1.00 0.00 O ATOM 725 CB ASP A 990 -2.400 -7.589 -6.481 1.00 0.00 C ATOM 726 CG ASP A 990 -2.437 -6.955 -7.873 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.388 -6.594 -8.380 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.526 -6.841 -8.413 1.00 0.00 O ATOM 0 H ASP A 990 -1.721 -9.867 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.245 -7.486 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -3.132 -8.395 -6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.684 -6.848 -5.733 1.00 0.00 H new ATOM 733 N SER A 991 -1.260 -9.270 -4.019 1.00 0.00 N ATOM 734 CA SER A 991 -1.149 -9.423 -2.569 1.00 0.00 C ATOM 735 C SER A 991 0.304 -9.527 -2.104 1.00 0.00 C ATOM 736 O SER A 991 0.729 -8.783 -1.220 1.00 0.00 O ATOM 737 CB SER A 991 -1.906 -10.673 -2.124 1.00 0.00 C ATOM 738 OG SER A 991 -3.300 -10.473 -2.314 1.00 0.00 O ATOM 0 H SER A 991 -1.716 -10.049 -4.493 1.00 0.00 H new ATOM 0 HA SER A 991 -1.581 -8.531 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 991 -1.570 -11.538 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.697 -10.884 -1.075 1.00 0.00 H new ATOM 0 HG SER A 991 -3.688 -10.084 -1.503 1.00 0.00 H new ATOM 744 N GLN A 992 1.063 -10.450 -2.690 1.00 0.00 N ATOM 745 CA GLN A 992 2.459 -10.611 -2.288 1.00 0.00 C ATOM 746 C GLN A 992 3.257 -9.361 -2.644 1.00 0.00 C ATOM 747 O GLN A 992 4.100 -8.910 -1.863 1.00 0.00 O ATOM 748 CB GLN A 992 3.080 -11.859 -2.928 1.00 0.00 C ATOM 749 CG GLN A 992 2.873 -11.841 -4.439 1.00 0.00 C ATOM 750 CD GLN A 992 3.583 -13.032 -5.071 1.00 0.00 C ATOM 751 OE1 GLN A 992 3.536 -14.138 -4.533 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.245 -12.875 -6.186 1.00 0.00 N ATOM 0 H GLN A 992 0.747 -11.083 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 992 2.491 -10.747 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.145 -11.900 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 992 2.629 -12.756 -2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.808 -11.876 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 992 3.259 -10.912 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 992 4.284 -11.958 -6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 992 4.723 -13.669 -6.611 1.00 0.00 H new ATOM 761 N ARG A 993 2.968 -8.784 -3.804 1.00 0.00 N ATOM 762 CA ARG A 993 3.653 -7.566 -4.217 1.00 0.00 C ATOM 763 C ARG A 993 3.336 -6.446 -3.232 1.00 0.00 C ATOM 764 O ARG A 993 4.211 -5.662 -2.864 1.00 0.00 O ATOM 765 CB ARG A 993 3.214 -7.173 -5.630 1.00 0.00 C ATOM 766 CG ARG A 993 3.861 -8.115 -6.647 1.00 0.00 C ATOM 767 CD ARG A 993 3.350 -7.786 -8.050 1.00 0.00 C ATOM 768 NE ARG A 993 4.016 -8.624 -9.040 1.00 0.00 N ATOM 769 CZ ARG A 993 3.531 -8.751 -10.271 1.00 0.00 C ATOM 770 NH1 ARG A 993 2.417 -8.151 -10.596 1.00 0.00 N ATOM 771 NH2 ARG A 993 4.158 -9.484 -11.148 1.00 0.00 N ATOM 0 H ARG A 993 2.275 -9.133 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 993 4.729 -7.739 -4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.128 -7.223 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.502 -6.143 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.946 -8.015 -6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.628 -9.150 -6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 993 2.272 -7.942 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 993 3.530 -6.734 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 993 4.869 -9.121 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 993 1.922 -7.587 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 993 2.043 -8.247 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 993 5.022 -9.961 -10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 993 3.785 -9.581 -12.092 1.00 0.00 H new ATOM 785 N TYR A 994 2.080 -6.392 -2.799 1.00 0.00 N ATOM 786 CA TYR A 994 1.644 -5.381 -1.844 1.00 0.00 C ATOM 787 C TYR A 994 2.423 -5.517 -0.542 1.00 0.00 C ATOM 788 O TYR A 994 2.904 -4.527 0.015 1.00 0.00 O ATOM 789 CB TYR A 994 0.149 -5.541 -1.573 1.00 0.00 C ATOM 790 CG TYR A 994 -0.289 -4.552 -0.519 1.00 0.00 C ATOM 791 CD1 TYR A 994 -0.424 -3.198 -0.850 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.571 -4.983 0.781 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.841 -2.279 0.120 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.987 -4.064 1.753 1.00 0.00 C ATOM 795 CZ TYR A 994 -1.122 -2.711 1.420 1.00 0.00 C ATOM 796 OH TYR A 994 -1.534 -1.802 2.374 1.00 0.00 O ATOM 0 H TYR A 994 1.347 -7.037 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 994 1.831 -4.393 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.415 -5.381 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 994 -0.063 -6.557 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 994 -0.206 -2.863 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.468 -6.027 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.946 -1.235 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.203 -4.399 2.757 1.00 0.00 H new ATOM 0 HH TYR A 994 -2.086 -1.111 1.951 1.00 0.00 H new ATOM 806 N ASN A 995 2.562 -6.750 -0.063 1.00 0.00 N ATOM 807 CA ASN A 995 3.301 -6.977 1.168 1.00 0.00 C ATOM 808 C ASN A 995 4.727 -6.475 0.992 1.00 0.00 C ATOM 809 O ASN A 995 5.288 -5.827 1.879 1.00 0.00 O ATOM 810 CB ASN A 995 3.318 -8.468 1.513 1.00 0.00 C ATOM 811 CG ASN A 995 1.923 -8.917 1.932 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.088 -8.093 2.303 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.616 -10.185 1.888 1.00 0.00 N ATOM 0 H ASN A 995 2.180 -7.589 -0.500 1.00 0.00 H new ATOM 0 HA ASN A 995 2.816 -6.438 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.653 -9.046 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.028 -8.656 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 995 0.683 -10.494 2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.309 -10.867 1.580 1.00 0.00 H new ATOM 820 N ALA A 996 5.304 -6.745 -0.173 1.00 0.00 N ATOM 821 CA ALA A 996 6.648 -6.273 -0.440 1.00 0.00 C ATOM 822 C ALA A 996 6.658 -4.758 -0.425 1.00 0.00 C ATOM 823 O ALA A 996 7.554 -4.145 0.132 1.00 0.00 O ATOM 824 CB ALA A 996 7.131 -6.742 -1.804 1.00 0.00 C ATOM 0 H ALA A 996 4.871 -7.276 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 996 7.308 -6.674 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.142 -6.374 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.131 -7.832 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.466 -6.357 -2.577 1.00 0.00 H new ATOM 830 N TRP A 997 5.653 -4.148 -1.036 1.00 0.00 N ATOM 831 CA TRP A 997 5.606 -2.701 -1.062 1.00 0.00 C ATOM 832 C TRP A 997 5.706 -2.171 0.363 1.00 0.00 C ATOM 833 O TRP A 997 6.420 -1.203 0.620 1.00 0.00 O ATOM 834 CB TRP A 997 4.321 -2.192 -1.726 1.00 0.00 C ATOM 835 CG TRP A 997 4.233 -0.710 -1.548 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.977 0.196 -2.224 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.394 0.049 -0.638 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.639 1.463 -1.789 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.666 1.424 -0.812 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.424 -0.319 0.310 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.003 2.403 -0.070 1.00 0.00 C ATOM 842 CZ3 TRP A 997 1.751 0.663 1.060 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.042 2.021 0.871 1.00 0.00 C ATOM 0 H TRP A 997 4.881 -4.620 -1.507 1.00 0.00 H new ATOM 0 HA TRP A 997 6.447 -2.338 -1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.320 -2.444 -2.786 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.451 -2.676 -1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.714 -0.034 -2.979 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.058 2.322 -2.146 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.194 -1.363 0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.231 3.448 -0.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.006 0.369 1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.525 2.771 1.451 1.00 0.00 H new ATOM 854 N LEU A 998 5.019 -2.827 1.294 1.00 0.00 N ATOM 855 CA LEU A 998 5.095 -2.403 2.683 1.00 0.00 C ATOM 856 C LEU A 998 6.543 -2.532 3.130 1.00 0.00 C ATOM 857 O LEU A 998 7.069 -1.681 3.840 1.00 0.00 O ATOM 858 CB LEU A 998 4.183 -3.260 3.581 1.00 0.00 C ATOM 859 CG LEU A 998 2.722 -2.779 3.480 1.00 0.00 C ATOM 860 CD1 LEU A 998 1.778 -3.923 3.879 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.485 -1.576 4.419 1.00 0.00 C ATOM 0 H LEU A 998 4.419 -3.633 1.117 1.00 0.00 H new ATOM 0 HA LEU A 998 4.755 -1.371 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.249 -4.307 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.521 -3.201 4.615 1.00 0.00 H new ATOM 0 HG LEU A 998 2.524 -2.473 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.745 -3.584 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 998 1.929 -4.770 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.990 -4.229 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.449 -1.248 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 998 2.691 -1.871 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.148 -0.758 4.137 1.00 0.00 H new ATOM 873 N GLU A 999 7.199 -3.597 2.685 1.00 0.00 N ATOM 874 CA GLU A 999 8.598 -3.792 3.033 1.00 0.00 C ATOM 875 C GLU A 999 9.432 -2.639 2.460 1.00 0.00 C ATOM 876 O GLU A 999 10.332 -2.116 3.122 1.00 0.00 O ATOM 877 CB GLU A 999 9.100 -5.133 2.474 1.00 0.00 C ATOM 878 CG GLU A 999 10.488 -5.438 3.048 1.00 0.00 C ATOM 879 CD GLU A 999 10.363 -5.824 4.517 1.00 0.00 C ATOM 880 OE1 GLU A 999 9.242 -5.963 4.979 1.00 0.00 O ATOM 881 OE2 GLU A 999 11.390 -5.978 5.159 1.00 0.00 O ATOM 0 H GLU A 999 6.794 -4.324 2.095 1.00 0.00 H new ATOM 0 HA GLU A 999 8.700 -3.807 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.404 -5.931 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.146 -5.091 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 999 10.954 -6.248 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.134 -4.566 2.945 1.00 0.00 H new ATOM 888 N LEU A1000 9.119 -2.250 1.219 1.00 0.00 N ATOM 889 CA LEU A1000 9.840 -1.168 0.550 1.00 0.00 C ATOM 890 C LEU A1000 9.649 0.166 1.279 1.00 0.00 C ATOM 891 O LEU A1000 10.596 0.935 1.445 1.00 0.00 O ATOM 892 CB LEU A1000 9.352 -0.999 -0.898 1.00 0.00 C ATOM 893 CG LEU A1000 9.584 -2.278 -1.720 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.080 -2.049 -3.151 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.075 -2.642 -1.749 1.00 0.00 C ATOM 0 H LEU A1000 8.374 -2.668 0.662 1.00 0.00 H new ATOM 0 HA LEU A1000 10.896 -1.440 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.291 -0.751 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A1000 9.875 -0.164 -1.365 1.00 0.00 H new ATOM 0 HG LEU A1000 9.039 -3.101 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.240 -2.951 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.016 -1.814 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.625 -1.219 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.217 -3.550 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A1000 11.640 -1.826 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.429 -2.809 -0.732 1.00 0.00 H new ATOM 907 N ARG A1001 8.425 0.462 1.709 1.00 0.00 N ATOM 908 CA ARG A1001 8.194 1.723 2.402 1.00 0.00 C ATOM 909 C ARG A1001 8.796 1.661 3.799 1.00 0.00 C ATOM 910 O ARG A1001 9.277 2.662 4.331 1.00 0.00 O ATOM 911 CB ARG A1001 6.691 2.080 2.455 1.00 0.00 C ATOM 912 CG ARG A1001 5.979 1.445 3.655 1.00 0.00 C ATOM 913 CD ARG A1001 4.480 1.753 3.577 1.00 0.00 C ATOM 914 NE ARG A1001 3.839 1.416 4.842 1.00 0.00 N ATOM 915 CZ ARG A1001 2.529 1.568 5.014 1.00 0.00 C ATOM 916 NH1 ARG A1001 1.779 1.951 4.018 1.00 0.00 N ATOM 917 NH2 ARG A1001 1.993 1.322 6.177 1.00 0.00 N ATOM 0 H ARG A1001 7.604 -0.132 1.595 1.00 0.00 H new ATOM 0 HA ARG A1001 8.686 2.518 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.580 3.163 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.210 1.750 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A1001 6.140 0.367 3.659 1.00 0.00 H new ATOM 0 HG3 ARG A1001 6.394 1.833 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.328 2.809 3.352 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.025 1.185 2.766 1.00 0.00 H new ATOM 0 HE ARG A1001 4.406 1.057 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A1001 2.197 2.134 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A1001 0.774 2.067 4.151 1.00 0.00 H new ATOM 0 HH21 ARG A1001 2.578 1.013 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A1001 0.988 1.438 6.310 1.00 0.00 H new ATOM 931 N ALA A1002 8.762 0.471 4.382 1.00 0.00 N ATOM 932 CA ALA A1002 9.302 0.265 5.717 1.00 0.00 C ATOM 933 C ALA A1002 10.792 0.590 5.744 1.00 0.00 C ATOM 934 O ALA A1002 11.282 1.200 6.693 1.00 0.00 O ATOM 935 CB ALA A1002 9.076 -1.188 6.155 1.00 0.00 C ATOM 0 H ALA A1002 8.367 -0.365 3.952 1.00 0.00 H new ATOM 0 HA ALA A1002 8.786 0.931 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A1002 9.483 -1.334 7.156 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.008 -1.404 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A1002 9.577 -1.860 5.458 1.00 0.00 H new ATOM 941 N LYS A1003 11.510 0.191 4.692 1.00 0.00 N ATOM 942 CA LYS A1003 12.947 0.473 4.631 1.00 0.00 C ATOM 943 C LYS A1003 13.183 1.925 4.226 1.00 0.00 C ATOM 944 O LYS A1003 14.157 2.550 4.649 1.00 0.00 O ATOM 945 CB LYS A1003 13.672 -0.490 3.672 1.00 0.00 C ATOM 946 CG LYS A1003 13.312 -0.200 2.215 1.00 0.00 C ATOM 947 CD LYS A1003 14.148 -1.099 1.303 1.00 0.00 C ATOM 948 CE LYS A1003 13.972 -0.654 -0.152 1.00 0.00 C ATOM 949 NZ LYS A1003 14.450 -1.730 -1.065 1.00 0.00 N ATOM 0 H LYS A1003 11.134 -0.315 3.890 1.00 0.00 H new ATOM 0 HA LYS A1003 13.364 0.315 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A1003 14.750 -0.398 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A1003 13.406 -1.518 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A1003 12.250 -0.379 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.499 0.848 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A1003 15.199 -1.046 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A1003 13.839 -2.138 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A1003 12.923 -0.433 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A1003 14.531 0.264 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 14.330 -1.426 -2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 15.456 -1.920 -0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 13.898 -2.596 -0.900 1.00 0.00 H new ATOM 963 N ARG A1004 12.276 2.460 3.412 1.00 0.00 N ATOM 964 CA ARG A1004 12.378 3.848 2.960 1.00 0.00 C ATOM 965 C ARG A1004 11.700 4.770 3.969 1.00 0.00 C ATOM 966 O ARG A1004 10.473 4.794 4.081 1.00 0.00 O ATOM 967 CB ARG A1004 11.725 3.975 1.573 1.00 0.00 C ATOM 968 CG ARG A1004 11.492 5.442 1.180 1.00 0.00 C ATOM 969 CD ARG A1004 12.824 6.196 1.130 1.00 0.00 C ATOM 970 NE ARG A1004 12.629 7.507 0.523 1.00 0.00 N ATOM 971 CZ ARG A1004 13.555 8.455 0.613 1.00 0.00 C ATOM 972 NH1 ARG A1004 14.671 8.219 1.248 1.00 0.00 N ATOM 973 NH2 ARG A1004 13.348 9.621 0.066 1.00 0.00 N ATOM 0 H ARG A1004 11.465 1.957 3.052 1.00 0.00 H new ATOM 0 HA ARG A1004 13.425 4.140 2.883 1.00 0.00 H new ATOM 0 HB2 ARG A1004 12.360 3.496 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A1004 10.774 3.443 1.570 1.00 0.00 H new ATOM 0 HG2 ARG A1004 11.001 5.492 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.824 5.917 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A1004 13.227 6.308 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A1004 13.554 5.625 0.556 1.00 0.00 H new ATOM 0 HE ARG A1004 11.764 7.700 0.019 1.00 0.00 H new ATOM 0 HH11 ARG A1004 14.832 7.307 1.675 1.00 0.00 H new ATOM 0 HH12 ARG A1004 15.382 8.947 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A1004 12.476 9.804 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A1004 14.058 10.350 0.134 1.00 0.00 H new ATOM 987 N LEU A1005 12.512 5.529 4.705 1.00 0.00 N ATOM 988 CA LEU A1005 12.000 6.458 5.714 1.00 0.00 C ATOM 989 C LEU A1005 11.982 7.884 5.168 1.00 0.00 C ATOM 990 O LEU A1005 12.935 8.325 4.525 1.00 0.00 O ATOM 991 CB LEU A1005 12.885 6.399 6.970 1.00 0.00 C ATOM 992 CG LEU A1005 12.492 5.201 7.840 1.00 0.00 C ATOM 993 CD1 LEU A1005 12.650 3.901 7.043 1.00 0.00 C ATOM 994 CD2 LEU A1005 13.398 5.161 9.075 1.00 0.00 C ATOM 0 H LEU A1005 13.529 5.519 4.622 1.00 0.00 H new ATOM 0 HA LEU A1005 10.981 6.167 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A1005 13.933 6.320 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A1005 12.781 7.322 7.541 1.00 0.00 H new ATOM 0 HG LEU A1005 11.451 5.302 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A1005 12.369 3.054 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A1005 12.006 3.933 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A1005 13.688 3.791 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A1005 13.124 4.311 9.700 1.00 0.00 H new ATOM 0 HD22 LEU A1005 14.437 5.061 8.761 1.00 0.00 H new ATOM 0 HD23 LEU A1005 13.278 6.083 9.644 1.00 0.00 H new ATOM 1006 N SER A1006 10.900 8.604 5.443 1.00 0.00 N ATOM 1007 CA SER A1006 10.773 9.983 4.987 1.00 0.00 C ATOM 1008 C SER A1006 11.093 10.095 3.500 1.00 0.00 C ATOM 1009 O SER A1006 10.169 10.301 2.731 1.00 0.00 O ATOM 1010 CB SER A1006 11.719 10.882 5.784 1.00 0.00 C ATOM 1011 OG SER A1006 13.055 10.438 5.594 1.00 0.00 O ATOM 0 H SER A1006 10.102 8.258 5.976 1.00 0.00 H new ATOM 0 HA SER A1006 9.743 10.303 5.146 1.00 0.00 H new ATOM 0 HB2 SER A1006 11.617 11.917 5.458 1.00 0.00 H new ATOM 0 HB3 SER A1006 11.461 10.854 6.843 1.00 0.00 H new ATOM 0 HG SER A1006 13.118 9.940 4.752 1.00 0.00 H new TER 1017 SER A1006