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 12:sc= -4.18! USER MOD Set 1.2: A 974 GLN : amide:sc= -8.11! C(o=-12!,f=-14!) USER MOD Single : A 947 MET CE :methyl -157:sc= -0.0649 (180deg=-0.6) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -1.44! X(o=-1.4!,f=-1.9) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -166:sc= -0.0671 (180deg=-0.629) USER MOD Single : A 973 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 979 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00367) USER MOD Single : A 984 SER OG : rot -38:sc= 0.41 USER MOD Single : A 987 SER OG : rot -2:sc= 1 USER MOD Single : A 991 SER OG : rot -149:sc= 0.486 USER MOD Single : A 992 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.7!) USER MOD Single : A 994 TYR OH : rot 63:sc=0.000909 USER MOD Single : A 995 ASN : amide:sc= -4.93! K(o=-4.9!,f=-1.4) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -10.270 20.377 0.150 1.00 0.00 N ATOM 2 CA GLY A 945 -9.971 19.454 -0.982 1.00 0.00 C ATOM 3 C GLY A 945 -11.088 18.424 -1.101 1.00 0.00 C ATOM 4 O GLY A 945 -12.225 18.765 -1.427 1.00 0.00 O ATOM 0 HA2 GLY A 945 -9.880 20.017 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -9.016 18.955 -0.817 1.00 0.00 H new ATOM 7 N ALA A 946 -10.764 17.165 -0.824 1.00 0.00 N ATOM 8 CA ALA A 946 -11.761 16.103 -0.896 1.00 0.00 C ATOM 9 C ALA A 946 -12.863 16.350 0.129 1.00 0.00 C ATOM 10 O ALA A 946 -12.589 16.746 1.263 1.00 0.00 O ATOM 11 CB ALA A 946 -11.102 14.750 -0.628 1.00 0.00 C ATOM 0 H ALA A 946 -9.831 16.858 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 946 -12.198 16.097 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -11.853 13.962 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -10.329 14.568 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -10.653 14.754 0.365 1.00 0.00 H new ATOM 17 N MET A 947 -14.109 16.115 -0.271 1.00 0.00 N ATOM 18 CA MET A 947 -15.236 16.324 0.630 1.00 0.00 C ATOM 19 C MET A 947 -15.164 15.356 1.806 1.00 0.00 C ATOM 20 O MET A 947 -15.447 15.727 2.946 1.00 0.00 O ATOM 21 CB MET A 947 -16.554 16.124 -0.129 1.00 0.00 C ATOM 22 CG MET A 947 -16.670 17.164 -1.249 1.00 0.00 C ATOM 23 SD MET A 947 -16.756 18.832 -0.541 1.00 0.00 S ATOM 24 CE MET A 947 -18.435 18.750 0.146 1.00 0.00 C ATOM 0 H MET A 947 -14.362 15.784 -1.202 1.00 0.00 H new ATOM 0 HA MET A 947 -15.192 17.343 1.013 1.00 0.00 H new ATOM 0 HB2 MET A 947 -16.594 15.119 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 947 -17.397 16.218 0.556 1.00 0.00 H new ATOM 0 HG2 MET A 947 -15.812 17.088 -1.918 1.00 0.00 H new ATOM 0 HG3 MET A 947 -17.559 16.968 -1.848 1.00 0.00 H new ATOM 0 HE1 MET A 947 -18.833 19.759 0.257 1.00 0.00 H new ATOM 0 HE2 MET A 947 -19.076 18.179 -0.526 1.00 0.00 H new ATOM 0 HE3 MET A 947 -18.406 18.263 1.121 1.00 0.00 H new ATOM 34 N ALA A 948 -14.777 14.113 1.525 1.00 0.00 N ATOM 35 CA ALA A 948 -14.662 13.091 2.566 1.00 0.00 C ATOM 36 C ALA A 948 -13.515 12.140 2.248 1.00 0.00 C ATOM 37 O ALA A 948 -13.291 11.787 1.091 1.00 0.00 O ATOM 38 CB ALA A 948 -15.969 12.303 2.661 1.00 0.00 C ATOM 0 H ALA A 948 -14.538 13.789 0.588 1.00 0.00 H new ATOM 0 HA ALA A 948 -14.462 13.581 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -15.880 11.543 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -16.785 12.981 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -16.175 11.823 1.704 1.00 0.00 H new ATOM 44 N ILE A 949 -12.790 11.724 3.288 1.00 0.00 N ATOM 45 CA ILE A 949 -11.657 10.809 3.125 1.00 0.00 C ATOM 46 C ILE A 949 -11.909 9.507 3.880 1.00 0.00 C ATOM 47 O ILE A 949 -11.511 8.434 3.428 1.00 0.00 O ATOM 48 CB ILE A 949 -10.381 11.478 3.639 1.00 0.00 C ATOM 49 CG1 ILE A 949 -10.537 11.817 5.125 1.00 0.00 C ATOM 50 CG2 ILE A 949 -10.135 12.768 2.852 1.00 0.00 C ATOM 51 CD1 ILE A 949 -9.282 12.539 5.617 1.00 0.00 C ATOM 0 H ILE A 949 -12.967 12.006 4.252 1.00 0.00 H new ATOM 0 HA ILE A 949 -11.540 10.575 2.067 1.00 0.00 H new ATOM 0 HB ILE A 949 -9.539 10.798 3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -11.414 12.446 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -10.695 10.906 5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -9.226 13.248 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -10.023 12.533 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -10.980 13.443 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -9.392 12.781 6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -8.414 11.894 5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -9.144 13.458 5.047 1.00 0.00 H new ATOM 63 N ALA A 950 -12.587 9.613 5.022 1.00 0.00 N ATOM 64 CA ALA A 950 -12.909 8.441 5.834 1.00 0.00 C ATOM 65 C ALA A 950 -11.662 7.871 6.498 1.00 0.00 C ATOM 66 O ALA A 950 -11.654 7.578 7.692 1.00 0.00 O ATOM 67 CB ALA A 950 -13.577 7.369 4.964 1.00 0.00 C ATOM 0 H ALA A 950 -12.923 10.497 5.405 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.599 8.751 6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.814 6.499 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -14.494 7.770 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -12.898 7.075 4.163 1.00 0.00 H new ATOM 73 N LEU A 951 -10.616 7.726 5.707 1.00 0.00 N ATOM 74 CA LEU A 951 -9.349 7.197 6.193 1.00 0.00 C ATOM 75 C LEU A 951 -8.604 8.248 7.013 1.00 0.00 C ATOM 76 O LEU A 951 -8.763 9.450 6.801 1.00 0.00 O ATOM 77 CB LEU A 951 -8.486 6.757 4.996 1.00 0.00 C ATOM 78 CG LEU A 951 -8.722 5.279 4.658 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.208 5.020 4.402 1.00 0.00 C ATOM 80 CD2 LEU A 951 -7.923 4.932 3.401 1.00 0.00 C ATOM 0 H LEU A 951 -10.616 7.969 4.716 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.549 6.340 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -8.721 7.374 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.432 6.917 5.225 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.400 4.661 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.358 3.967 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.781 5.275 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.545 5.633 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -8.080 3.884 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.256 5.559 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -6.863 5.106 3.584 1.00 0.00 H new ATOM 92 N ARG A 952 -7.791 7.776 7.948 1.00 0.00 N ATOM 93 CA ARG A 952 -7.021 8.670 8.800 1.00 0.00 C ATOM 94 C ARG A 952 -5.962 9.394 7.975 1.00 0.00 C ATOM 95 O ARG A 952 -5.734 9.056 6.816 1.00 0.00 O ATOM 96 CB ARG A 952 -6.337 7.884 9.919 1.00 0.00 C ATOM 97 CG ARG A 952 -7.380 7.121 10.736 1.00 0.00 C ATOM 98 CD ARG A 952 -6.693 6.425 11.912 1.00 0.00 C ATOM 99 NE ARG A 952 -5.773 5.402 11.432 1.00 0.00 N ATOM 100 CZ ARG A 952 -4.856 4.871 12.234 1.00 0.00 C ATOM 101 NH1 ARG A 952 -4.747 5.289 13.465 1.00 0.00 N ATOM 102 NH2 ARG A 952 -4.063 3.934 11.791 1.00 0.00 N ATOM 0 H ARG A 952 -7.648 6.784 8.135 1.00 0.00 H new ATOM 0 HA ARG A 952 -7.703 9.398 9.239 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.614 7.187 9.495 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.783 8.564 10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.145 7.806 11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.884 6.386 10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.151 7.158 12.510 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -7.442 5.973 12.563 1.00 0.00 H new ATOM 0 HE ARG A 952 -5.834 5.088 10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -5.365 6.023 13.811 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -4.044 4.882 14.081 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -4.147 3.608 10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -3.360 3.527 12.408 1.00 0.00 H new ATOM 116 N ASP A 953 -5.314 10.386 8.576 1.00 0.00 N ATOM 117 CA ASP A 953 -4.281 11.139 7.869 1.00 0.00 C ATOM 118 C ASP A 953 -3.149 10.212 7.435 1.00 0.00 C ATOM 119 O ASP A 953 -2.674 10.289 6.301 1.00 0.00 O ATOM 120 CB ASP A 953 -3.719 12.234 8.780 1.00 0.00 C ATOM 121 CG ASP A 953 -4.729 13.365 8.928 1.00 0.00 C ATOM 122 OD1 ASP A 953 -5.901 13.070 9.094 1.00 0.00 O ATOM 123 OD2 ASP A 953 -4.315 14.512 8.879 1.00 0.00 O ATOM 0 H ASP A 953 -5.481 10.685 9.537 1.00 0.00 H new ATOM 0 HA ASP A 953 -4.728 11.593 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.483 11.817 9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -2.788 12.620 8.365 1.00 0.00 H new ATOM 128 N ASP A 954 -2.726 9.330 8.335 1.00 0.00 N ATOM 129 CA ASP A 954 -1.655 8.393 8.025 1.00 0.00 C ATOM 130 C ASP A 954 -2.118 7.424 6.944 1.00 0.00 C ATOM 131 O ASP A 954 -1.370 7.098 6.019 1.00 0.00 O ATOM 132 CB ASP A 954 -1.264 7.615 9.299 1.00 0.00 C ATOM 133 CG ASP A 954 -0.252 8.405 10.133 1.00 0.00 C ATOM 134 OD1 ASP A 954 0.346 9.327 9.603 1.00 0.00 O ATOM 135 OD2 ASP A 954 -0.087 8.070 11.296 1.00 0.00 O ATOM 0 H ASP A 954 -3.106 9.245 9.278 1.00 0.00 H new ATOM 0 HA ASP A 954 -0.786 8.942 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.154 7.414 9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.840 6.649 9.024 1.00 0.00 H new ATOM 140 N GLU A 955 -3.355 6.966 7.069 1.00 0.00 N ATOM 141 CA GLU A 955 -3.921 6.034 6.107 1.00 0.00 C ATOM 142 C GLU A 955 -4.135 6.708 4.755 1.00 0.00 C ATOM 143 O GLU A 955 -3.875 6.117 3.707 1.00 0.00 O ATOM 144 CB GLU A 955 -5.251 5.506 6.639 1.00 0.00 C ATOM 145 CG GLU A 955 -4.993 4.655 7.883 1.00 0.00 C ATOM 146 CD GLU A 955 -4.383 3.316 7.480 1.00 0.00 C ATOM 147 OE1 GLU A 955 -5.143 2.400 7.213 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.168 3.228 7.442 1.00 0.00 O ATOM 0 H GLU A 955 -3.986 7.225 7.828 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.224 5.208 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.914 6.336 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.752 4.912 5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.321 5.181 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.926 4.492 8.422 1.00 0.00 H new ATOM 155 N TYR A 956 -4.602 7.950 4.791 1.00 0.00 N ATOM 156 CA TYR A 956 -4.839 8.704 3.568 1.00 0.00 C ATOM 157 C TYR A 956 -3.540 8.868 2.788 1.00 0.00 C ATOM 158 O TYR A 956 -3.511 8.719 1.565 1.00 0.00 O ATOM 159 CB TYR A 956 -5.421 10.081 3.908 1.00 0.00 C ATOM 160 CG TYR A 956 -5.531 10.915 2.652 1.00 0.00 C ATOM 161 CD1 TYR A 956 -6.665 10.815 1.838 1.00 0.00 C ATOM 162 CD2 TYR A 956 -4.492 11.784 2.305 1.00 0.00 C ATOM 163 CE1 TYR A 956 -6.760 11.591 0.674 1.00 0.00 C ATOM 164 CE2 TYR A 956 -4.587 12.558 1.144 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.719 12.461 0.328 1.00 0.00 C ATOM 166 OH TYR A 956 -5.810 13.227 -0.816 1.00 0.00 O ATOM 0 H TYR A 956 -4.823 8.454 5.650 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.552 8.157 2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.403 9.968 4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.785 10.585 4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.466 10.141 2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -3.617 11.857 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -7.635 11.518 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -3.786 13.231 0.877 1.00 0.00 H new ATOM 0 HH TYR A 956 -5.003 13.776 -0.907 1.00 0.00 H new ATOM 176 N ASP A 957 -2.466 9.174 3.508 1.00 0.00 N ATOM 177 CA ASP A 957 -1.163 9.356 2.881 1.00 0.00 C ATOM 178 C ASP A 957 -0.697 8.055 2.236 1.00 0.00 C ATOM 179 O ASP A 957 -0.120 8.063 1.148 1.00 0.00 O ATOM 180 CB ASP A 957 -0.139 9.806 3.926 1.00 0.00 C ATOM 181 CG ASP A 957 1.215 10.035 3.266 1.00 0.00 C ATOM 182 OD1 ASP A 957 1.291 10.880 2.388 1.00 0.00 O ATOM 183 OD2 ASP A 957 2.160 9.364 3.651 1.00 0.00 O ATOM 0 H ASP A 957 -2.472 9.300 4.520 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.253 10.121 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.478 10.724 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.049 9.051 4.707 1.00 0.00 H new ATOM 188 N GLU A 958 -0.951 6.941 2.913 1.00 0.00 N ATOM 189 CA GLU A 958 -0.553 5.637 2.400 1.00 0.00 C ATOM 190 C GLU A 958 -1.321 5.300 1.127 1.00 0.00 C ATOM 191 O GLU A 958 -0.754 4.755 0.182 1.00 0.00 O ATOM 192 CB GLU A 958 -0.805 4.559 3.458 1.00 0.00 C ATOM 193 CG GLU A 958 -0.264 3.217 2.957 1.00 0.00 C ATOM 194 CD GLU A 958 -0.458 2.140 4.018 1.00 0.00 C ATOM 195 OE1 GLU A 958 -0.686 2.495 5.162 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.364 0.975 3.672 1.00 0.00 O ATOM 0 H GLU A 958 -1.428 6.915 3.814 1.00 0.00 H new ATOM 0 HA GLU A 958 0.511 5.671 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.319 4.833 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.872 4.479 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -0.777 2.930 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.794 3.312 2.714 1.00 0.00 H new ATOM 203 N TRP A 959 -2.608 5.630 1.102 1.00 0.00 N ATOM 204 CA TRP A 959 -3.427 5.356 -0.070 1.00 0.00 C ATOM 205 C TRP A 959 -2.947 6.199 -1.255 1.00 0.00 C ATOM 206 O TRP A 959 -2.785 5.699 -2.352 1.00 0.00 O ATOM 207 CB TRP A 959 -4.897 5.641 0.252 1.00 0.00 C ATOM 208 CG TRP A 959 -5.727 5.607 -0.987 1.00 0.00 C ATOM 209 CD1 TRP A 959 -5.871 4.544 -1.810 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.545 6.671 -1.544 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.736 4.889 -2.835 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.178 6.194 -2.714 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.796 7.990 -1.142 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.036 6.999 -3.461 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.653 8.809 -1.890 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.275 8.313 -3.047 1.00 0.00 C ATOM 0 H TRP A 959 -3.101 6.083 1.872 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.332 4.305 -0.344 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.268 4.903 0.964 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -4.987 6.617 0.729 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.391 3.584 -1.688 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.013 4.258 -3.587 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.326 8.378 -0.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.511 6.612 -4.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.836 9.826 -1.575 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -8.938 8.947 -3.617 1.00 0.00 H new ATOM 227 N GLN A 960 -2.694 7.474 -1.038 1.00 0.00 N ATOM 228 CA GLN A 960 -2.215 8.307 -2.133 1.00 0.00 C ATOM 229 C GLN A 960 -0.858 7.804 -2.621 1.00 0.00 C ATOM 230 O GLN A 960 -0.582 7.769 -3.825 1.00 0.00 O ATOM 231 CB GLN A 960 -2.115 9.769 -1.680 1.00 0.00 C ATOM 232 CG GLN A 960 -3.526 10.317 -1.444 1.00 0.00 C ATOM 233 CD GLN A 960 -4.268 10.441 -2.770 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.963 11.322 -3.576 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.222 9.600 -3.056 1.00 0.00 N ATOM 0 H GLN A 960 -2.806 7.949 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 960 -2.924 8.248 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.526 9.840 -0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.602 10.363 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.074 9.656 -0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.470 11.291 -0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.475 8.870 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.715 9.672 -3.946 1.00 0.00 H new ATOM 244 N ASP A 961 -0.022 7.409 -1.674 1.00 0.00 N ATOM 245 CA ASP A 961 1.305 6.900 -1.993 1.00 0.00 C ATOM 246 C ASP A 961 1.225 5.597 -2.784 1.00 0.00 C ATOM 247 O ASP A 961 2.033 5.361 -3.683 1.00 0.00 O ATOM 248 CB ASP A 961 2.097 6.669 -0.702 1.00 0.00 C ATOM 249 CG ASP A 961 2.506 8.004 -0.090 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.356 9.014 -0.759 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.963 7.998 1.042 1.00 0.00 O ATOM 0 H ASP A 961 -0.238 7.431 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 961 1.811 7.643 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.492 6.105 0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.983 6.070 -0.912 1.00 0.00 H new ATOM 256 N ILE A 962 0.256 4.745 -2.448 1.00 0.00 N ATOM 257 CA ILE A 962 0.118 3.475 -3.149 1.00 0.00 C ATOM 258 C ILE A 962 -0.328 3.750 -4.581 1.00 0.00 C ATOM 259 O ILE A 962 0.118 3.097 -5.526 1.00 0.00 O ATOM 260 CB ILE A 962 -0.862 2.535 -2.393 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.381 1.079 -2.495 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.284 2.617 -2.973 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.313 0.164 -1.695 1.00 0.00 C ATOM 0 H ILE A 962 -0.430 4.908 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 962 1.077 2.958 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.883 2.859 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.359 0.767 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.638 0.996 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.942 1.947 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.653 3.639 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.266 2.323 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -0.966 -0.866 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -1.313 0.470 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.325 0.237 -2.094 1.00 0.00 H new ATOM 275 N ILE A 963 -1.195 4.748 -4.735 1.00 0.00 N ATOM 276 CA ILE A 963 -1.671 5.119 -6.054 1.00 0.00 C ATOM 277 C ILE A 963 -0.490 5.518 -6.917 1.00 0.00 C ATOM 278 O ILE A 963 -0.383 5.102 -8.071 1.00 0.00 O ATOM 279 CB ILE A 963 -2.665 6.280 -5.943 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.950 5.755 -5.297 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.963 6.863 -7.332 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.907 6.912 -4.959 1.00 0.00 C ATOM 0 H ILE A 963 -1.575 5.305 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.180 4.270 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.240 7.075 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.442 5.056 -5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.706 5.202 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.671 7.687 -7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.039 7.229 -7.779 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.392 6.088 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.812 6.513 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.420 7.596 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.168 7.447 -5.872 1.00 0.00 H new ATOM 294 N ARG A 964 0.410 6.299 -6.345 1.00 0.00 N ATOM 295 CA ARG A 964 1.595 6.709 -7.078 1.00 0.00 C ATOM 296 C ARG A 964 2.418 5.470 -7.437 1.00 0.00 C ATOM 297 O ARG A 964 2.992 5.383 -8.523 1.00 0.00 O ATOM 298 CB ARG A 964 2.436 7.675 -6.242 1.00 0.00 C ATOM 299 CG ARG A 964 3.616 8.178 -7.079 1.00 0.00 C ATOM 300 CD ARG A 964 4.365 9.262 -6.305 1.00 0.00 C ATOM 301 NE ARG A 964 5.391 9.864 -7.147 1.00 0.00 N ATOM 302 CZ ARG A 964 5.073 10.753 -8.083 1.00 0.00 C ATOM 303 NH1 ARG A 964 3.824 11.076 -8.279 1.00 0.00 N ATOM 304 NH2 ARG A 964 6.012 11.301 -8.806 1.00 0.00 N ATOM 0 H ARG A 964 0.346 6.657 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 964 1.291 7.223 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.825 8.515 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.800 7.175 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.288 7.352 -7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.258 8.576 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 964 3.666 10.027 -5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.822 8.833 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 964 6.367 9.599 -7.016 1.00 0.00 H new ATOM 0 HH11 ARG A 964 3.091 10.646 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 964 3.580 11.758 -8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 964 6.988 11.047 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 964 5.770 11.983 -9.525 1.00 0.00 H new ATOM 318 N ASP A 965 2.471 4.517 -6.508 1.00 0.00 N ATOM 319 CA ASP A 965 3.233 3.284 -6.719 1.00 0.00 C ATOM 320 C ASP A 965 2.733 2.501 -7.941 1.00 0.00 C ATOM 321 O ASP A 965 3.540 1.984 -8.714 1.00 0.00 O ATOM 322 CB ASP A 965 3.141 2.387 -5.483 1.00 0.00 C ATOM 323 CG ASP A 965 4.176 1.273 -5.574 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.302 1.567 -5.942 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.828 0.141 -5.279 1.00 0.00 O ATOM 0 H ASP A 965 1.998 4.573 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 965 4.268 3.575 -6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.307 2.977 -4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.141 1.961 -5.406 1.00 0.00 H new ATOM 330 N TRP A 966 1.412 2.393 -8.113 1.00 0.00 N ATOM 331 CA TRP A 966 0.870 1.643 -9.255 1.00 0.00 C ATOM 332 C TRP A 966 0.893 2.481 -10.532 1.00 0.00 C ATOM 333 O TRP A 966 0.485 2.006 -11.592 1.00 0.00 O ATOM 334 CB TRP A 966 -0.575 1.199 -9.014 1.00 0.00 C ATOM 335 CG TRP A 966 -0.723 0.512 -7.698 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.321 1.053 -6.619 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.314 -0.832 -7.311 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.314 0.131 -5.593 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.696 -1.046 -5.967 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.347 -1.872 -7.989 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.435 -2.248 -5.316 1.00 0.00 C ATOM 342 CZ3 TRP A 966 0.613 -3.086 -7.337 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.224 -3.274 -6.003 1.00 0.00 C ATOM 0 H TRP A 966 0.712 2.803 -7.495 1.00 0.00 H new ATOM 0 HA TRP A 966 1.508 0.767 -9.367 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.234 2.066 -9.049 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.889 0.528 -9.813 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.738 2.048 -6.566 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.716 0.298 -4.671 1.00 0.00 H new ATOM 0 HE3 TRP A 966 0.651 -1.736 -9.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.738 -2.388 -4.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 1.120 -3.880 -7.866 1.00 0.00 H new ATOM 0 HH2 TRP A 966 0.433 -4.210 -5.506 1.00 0.00 H new ATOM 354 N ARG A 967 1.357 3.720 -10.431 1.00 0.00 N ATOM 355 CA ARG A 967 1.411 4.602 -11.595 1.00 0.00 C ATOM 356 C ARG A 967 0.023 4.746 -12.225 1.00 0.00 C ATOM 357 O ARG A 967 -0.108 5.232 -13.348 1.00 0.00 O ATOM 358 CB ARG A 967 2.402 4.058 -12.640 1.00 0.00 C ATOM 359 CG ARG A 967 3.852 4.362 -12.223 1.00 0.00 C ATOM 360 CD ARG A 967 4.250 3.478 -11.039 1.00 0.00 C ATOM 361 NE ARG A 967 5.681 3.585 -10.780 1.00 0.00 N ATOM 362 CZ ARG A 967 6.189 4.607 -10.098 1.00 0.00 C ATOM 363 NH1 ARG A 967 5.410 5.568 -9.681 1.00 0.00 N ATOM 364 NH2 ARG A 967 7.468 4.646 -9.845 1.00 0.00 N ATOM 0 H ARG A 967 1.699 4.136 -9.565 1.00 0.00 H new ATOM 0 HA ARG A 967 1.752 5.582 -11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.268 2.982 -12.750 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.196 4.506 -13.612 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.525 4.186 -13.062 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.949 5.413 -11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 967 3.691 3.775 -10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 967 3.989 2.441 -11.248 1.00 0.00 H new ATOM 0 HE ARG A 967 6.306 2.859 -11.130 1.00 0.00 H new ATOM 0 HH11 ARG A 967 4.410 5.536 -9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 967 5.802 6.351 -9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.075 3.894 -10.170 1.00 0.00 H new ATOM 0 HH22 ARG A 967 7.861 5.429 -9.322 1.00 0.00 H new ATOM 378 N LYS A 968 -1.014 4.338 -11.487 1.00 0.00 N ATOM 379 CA LYS A 968 -2.391 4.447 -11.978 1.00 0.00 C ATOM 380 C LYS A 968 -3.343 4.690 -10.810 1.00 0.00 C ATOM 381 O LYS A 968 -3.026 4.365 -9.666 1.00 0.00 O ATOM 382 CB LYS A 968 -2.798 3.186 -12.747 1.00 0.00 C ATOM 383 CG LYS A 968 -2.934 1.997 -11.794 1.00 0.00 C ATOM 384 CD LYS A 968 -3.201 0.734 -12.614 1.00 0.00 C ATOM 385 CE LYS A 968 -3.374 -0.462 -11.676 1.00 0.00 C ATOM 386 NZ LYS A 968 -3.653 -1.688 -12.476 1.00 0.00 N ATOM 0 H LYS A 968 -0.928 3.932 -10.555 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.448 5.293 -12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.743 3.356 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -2.054 2.963 -13.512 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.024 1.879 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.748 2.169 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -4.097 0.865 -13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.374 0.553 -13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -2.473 -0.602 -11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.192 -0.276 -10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -3.770 -2.500 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -4.525 -1.552 -13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -2.859 -1.868 -13.123 1.00 0.00 H new ATOM 400 N GLU A 969 -4.497 5.281 -11.100 1.00 0.00 N ATOM 401 CA GLU A 969 -5.473 5.584 -10.055 1.00 0.00 C ATOM 402 C GLU A 969 -6.270 4.350 -9.633 1.00 0.00 C ATOM 403 O GLU A 969 -6.556 3.468 -10.441 1.00 0.00 O ATOM 404 CB GLU A 969 -6.439 6.666 -10.539 1.00 0.00 C ATOM 405 CG GLU A 969 -7.109 6.229 -11.842 1.00 0.00 C ATOM 406 CD GLU A 969 -8.150 7.262 -12.254 1.00 0.00 C ATOM 407 OE1 GLU A 969 -8.784 7.817 -11.370 1.00 0.00 O ATOM 408 OE2 GLU A 969 -8.296 7.492 -13.443 1.00 0.00 O ATOM 0 H GLU A 969 -4.780 5.558 -12.040 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.915 5.937 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -7.196 6.855 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -5.901 7.601 -10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -6.361 6.118 -12.628 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.581 5.255 -11.711 1.00 0.00 H new ATOM 415 N MET A 970 -6.651 4.329 -8.356 1.00 0.00 N ATOM 416 CA MET A 970 -7.451 3.242 -7.800 1.00 0.00 C ATOM 417 C MET A 970 -8.244 3.780 -6.609 1.00 0.00 C ATOM 418 O MET A 970 -7.866 4.790 -6.014 1.00 0.00 O ATOM 419 CB MET A 970 -6.579 2.055 -7.365 1.00 0.00 C ATOM 420 CG MET A 970 -5.310 2.551 -6.680 1.00 0.00 C ATOM 421 SD MET A 970 -4.256 1.135 -6.270 1.00 0.00 S ATOM 422 CE MET A 970 -4.785 0.925 -4.552 1.00 0.00 C ATOM 0 H MET A 970 -6.415 5.059 -7.684 1.00 0.00 H new ATOM 0 HA MET A 970 -8.127 2.875 -8.572 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.140 1.413 -6.685 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.318 1.449 -8.233 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.775 3.239 -7.335 1.00 0.00 H new ATOM 0 HG3 MET A 970 -5.564 3.104 -5.775 1.00 0.00 H new ATOM 0 HE1 MET A 970 -4.087 0.268 -4.034 1.00 0.00 H new ATOM 0 HE2 MET A 970 -4.805 1.896 -4.056 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.782 0.485 -4.529 1.00 0.00 H new ATOM 432 N THR A 971 -9.346 3.121 -6.275 1.00 0.00 N ATOM 433 CA THR A 971 -10.183 3.574 -5.166 1.00 0.00 C ATOM 434 C THR A 971 -9.633 3.109 -3.817 1.00 0.00 C ATOM 435 O THR A 971 -8.815 2.195 -3.743 1.00 0.00 O ATOM 436 CB THR A 971 -11.603 3.028 -5.338 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.542 1.626 -5.548 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.276 3.689 -6.544 1.00 0.00 C ATOM 0 H THR A 971 -9.680 2.281 -6.748 1.00 0.00 H new ATOM 0 HA THR A 971 -10.189 4.664 -5.178 1.00 0.00 H new ATOM 0 HB THR A 971 -12.182 3.246 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 971 -10.638 1.304 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.286 3.295 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.323 4.767 -6.389 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.699 3.477 -7.444 1.00 0.00 H new ATOM 446 N VAL A 972 -10.117 3.743 -2.754 1.00 0.00 N ATOM 447 CA VAL A 972 -9.714 3.396 -1.397 1.00 0.00 C ATOM 448 C VAL A 972 -10.200 1.989 -1.053 1.00 0.00 C ATOM 449 O VAL A 972 -9.474 1.189 -0.459 1.00 0.00 O ATOM 450 CB VAL A 972 -10.312 4.419 -0.415 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.244 3.891 1.034 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.522 5.730 -0.525 1.00 0.00 C ATOM 0 H VAL A 972 -10.793 4.505 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.627 3.416 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.359 4.587 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -10.672 4.630 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -10.807 2.961 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.204 3.709 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -9.936 6.464 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.477 5.547 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.591 6.112 -1.544 1.00 0.00 H new ATOM 462 N GLN A 973 -11.440 1.695 -1.423 1.00 0.00 N ATOM 463 CA GLN A 973 -12.013 0.389 -1.136 1.00 0.00 C ATOM 464 C GLN A 973 -11.098 -0.710 -1.664 1.00 0.00 C ATOM 465 O GLN A 973 -10.904 -1.734 -1.007 1.00 0.00 O ATOM 466 CB GLN A 973 -13.394 0.274 -1.781 1.00 0.00 C ATOM 467 CG GLN A 973 -14.079 -1.012 -1.307 1.00 0.00 C ATOM 468 CD GLN A 973 -15.518 -1.050 -1.811 1.00 0.00 C ATOM 469 OE1 GLN A 973 -16.448 -1.212 -1.021 1.00 0.00 O ATOM 470 NE2 GLN A 973 -15.760 -0.892 -3.084 1.00 0.00 N ATOM 0 H GLN A 973 -12.061 2.336 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.114 0.275 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.002 1.140 -1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.300 0.268 -2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -13.533 -1.881 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.064 -1.062 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -14.988 -0.758 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -16.721 -0.903 -3.426 1.00 0.00 H new ATOM 479 N GLN A 974 -10.529 -0.491 -2.848 1.00 0.00 N ATOM 480 CA GLN A 974 -9.630 -1.468 -3.440 1.00 0.00 C ATOM 481 C GLN A 974 -8.441 -1.702 -2.509 1.00 0.00 C ATOM 482 O GLN A 974 -8.009 -2.838 -2.320 1.00 0.00 O ATOM 483 CB GLN A 974 -9.146 -0.953 -4.807 1.00 0.00 C ATOM 484 CG GLN A 974 -10.093 -1.397 -5.928 1.00 0.00 C ATOM 485 CD GLN A 974 -11.547 -1.058 -5.601 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.028 -1.333 -4.502 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.282 -0.474 -6.507 1.00 0.00 N ATOM 0 H GLN A 974 -10.675 0.348 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.155 -2.413 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.084 0.135 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.141 -1.327 -5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.806 -0.912 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -9.995 -2.471 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.883 -0.246 -7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.255 -0.245 -6.304 1.00 0.00 H new ATOM 496 N PHE A 975 -7.921 -0.630 -1.918 1.00 0.00 N ATOM 497 CA PHE A 975 -6.793 -0.760 -1.000 1.00 0.00 C ATOM 498 C PHE A 975 -7.180 -1.644 0.182 1.00 0.00 C ATOM 499 O PHE A 975 -6.431 -2.537 0.573 1.00 0.00 O ATOM 500 CB PHE A 975 -6.345 0.616 -0.488 1.00 0.00 C ATOM 501 CG PHE A 975 -5.295 0.430 0.590 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.067 -0.157 0.272 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.561 0.833 1.910 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.100 -0.342 1.266 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.592 0.647 2.903 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.362 0.060 2.581 1.00 0.00 C ATOM 0 H PHE A 975 -8.256 0.324 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 975 -5.965 -1.218 -1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -5.940 1.208 -1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.199 1.165 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -3.864 -0.468 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.510 1.285 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.151 -0.795 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.793 0.956 3.918 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.615 -0.083 3.348 1.00 0.00 H new ATOM 516 N LEU A 976 -8.354 -1.379 0.748 1.00 0.00 N ATOM 517 CA LEU A 976 -8.831 -2.154 1.887 1.00 0.00 C ATOM 518 C LEU A 976 -9.010 -3.618 1.491 1.00 0.00 C ATOM 519 O LEU A 976 -8.665 -4.525 2.244 1.00 0.00 O ATOM 520 CB LEU A 976 -10.171 -1.582 2.396 1.00 0.00 C ATOM 521 CG LEU A 976 -9.945 -0.382 3.334 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.580 0.861 2.520 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.232 -0.105 4.116 1.00 0.00 C ATOM 0 H LEU A 976 -8.987 -0.641 0.440 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.092 -2.091 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.783 -1.274 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -10.724 -2.359 2.923 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.130 -0.615 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -9.422 1.704 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.667 0.671 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -10.391 1.095 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.078 0.744 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -12.039 0.122 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -11.497 -0.984 4.704 1.00 0.00 H new ATOM 535 N ASP A 977 -9.548 -3.845 0.303 1.00 0.00 N ATOM 536 CA ASP A 977 -9.748 -5.206 -0.173 1.00 0.00 C ATOM 537 C ASP A 977 -8.402 -5.888 -0.408 1.00 0.00 C ATOM 538 O ASP A 977 -8.224 -7.068 -0.101 1.00 0.00 O ATOM 539 CB ASP A 977 -10.547 -5.183 -1.477 1.00 0.00 C ATOM 540 CG ASP A 977 -10.719 -6.602 -2.008 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.356 -7.525 -1.300 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.221 -6.744 -3.111 1.00 0.00 O ATOM 0 H ASP A 977 -9.851 -3.116 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.300 -5.766 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.523 -4.729 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -10.034 -4.569 -2.217 1.00 0.00 H new ATOM 547 N LEU A 978 -7.465 -5.128 -0.967 1.00 0.00 N ATOM 548 CA LEU A 978 -6.134 -5.639 -1.269 1.00 0.00 C ATOM 549 C LEU A 978 -5.365 -6.015 -0.008 1.00 0.00 C ATOM 550 O LEU A 978 -4.751 -7.078 0.052 1.00 0.00 O ATOM 551 CB LEU A 978 -5.360 -4.575 -2.055 1.00 0.00 C ATOM 552 CG LEU A 978 -3.896 -5.000 -2.268 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.832 -6.374 -2.941 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.204 -3.961 -3.161 1.00 0.00 C ATOM 0 H LEU A 978 -7.605 -4.150 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.243 -6.547 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.839 -4.412 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.392 -3.627 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.394 -5.061 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.790 -6.661 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.327 -7.112 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.333 -6.329 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -2.165 -4.251 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.716 -3.908 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.238 -2.985 -2.677 1.00 0.00 H new ATOM 566 N LYS A 979 -5.389 -5.147 0.995 1.00 0.00 N ATOM 567 CA LYS A 979 -4.677 -5.427 2.224 1.00 0.00 C ATOM 568 C LYS A 979 -5.371 -6.559 2.967 1.00 0.00 C ATOM 569 O LYS A 979 -4.727 -7.442 3.498 1.00 0.00 O ATOM 570 CB LYS A 979 -4.596 -4.142 3.076 1.00 0.00 C ATOM 571 CG LYS A 979 -5.831 -4.001 3.962 1.00 0.00 C ATOM 572 CD LYS A 979 -5.835 -2.635 4.648 1.00 0.00 C ATOM 573 CE LYS A 979 -6.787 -2.672 5.852 1.00 0.00 C ATOM 574 NZ LYS A 979 -6.076 -3.268 7.016 1.00 0.00 N ATOM 0 H LYS A 979 -5.887 -4.257 0.979 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.658 -5.748 2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -3.699 -4.167 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.509 -3.273 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -6.733 -4.117 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -5.842 -4.792 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -4.828 -2.377 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.150 -1.864 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -7.127 -1.665 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -7.674 -3.259 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -6.768 -3.698 7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -5.414 -3.997 6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -5.549 -2.525 7.518 1.00 0.00 H new ATOM 588 N GLU A 980 -6.694 -6.530 2.992 1.00 0.00 N ATOM 589 CA GLU A 980 -7.440 -7.576 3.675 1.00 0.00 C ATOM 590 C GLU A 980 -7.020 -8.934 3.128 1.00 0.00 C ATOM 591 O GLU A 980 -6.685 -9.849 3.882 1.00 0.00 O ATOM 592 CB GLU A 980 -8.937 -7.361 3.447 1.00 0.00 C ATOM 593 CG GLU A 980 -9.744 -8.397 4.232 1.00 0.00 C ATOM 594 CD GLU A 980 -11.233 -8.164 4.001 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.562 -7.471 3.052 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.023 -8.674 4.778 1.00 0.00 O ATOM 0 H GLU A 980 -7.266 -5.807 2.555 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.232 -7.541 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.219 -6.356 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.166 -7.440 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.469 -9.403 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.514 -8.323 5.295 1.00 0.00 H new ATOM 603 N ARG A 981 -7.027 -9.050 1.807 1.00 0.00 N ATOM 604 CA ARG A 981 -6.639 -10.290 1.151 1.00 0.00 C ATOM 605 C ARG A 981 -5.168 -10.625 1.412 1.00 0.00 C ATOM 606 O ARG A 981 -4.830 -11.773 1.698 1.00 0.00 O ATOM 607 CB ARG A 981 -6.879 -10.168 -0.354 1.00 0.00 C ATOM 608 CG ARG A 981 -8.382 -10.195 -0.640 1.00 0.00 C ATOM 609 CD ARG A 981 -8.622 -9.991 -2.137 1.00 0.00 C ATOM 610 NE ARG A 981 -10.044 -10.098 -2.438 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.514 -9.798 -3.644 1.00 0.00 C ATOM 612 NH1 ARG A 981 -9.700 -9.392 -4.579 1.00 0.00 N ATOM 613 NH2 ARG A 981 -11.791 -9.905 -3.893 1.00 0.00 N ATOM 0 H ARG A 981 -7.297 -8.301 1.170 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.247 -11.096 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.445 -9.241 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.384 -10.986 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.807 -11.146 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.885 -9.413 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.251 -9.013 -2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -8.065 -10.735 -2.707 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.689 -10.408 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.703 -9.305 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -10.061 -9.162 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.429 -10.219 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -12.151 -9.674 -4.819 1.00 0.00 H new ATOM 627 N ALA A 982 -4.297 -9.624 1.308 1.00 0.00 N ATOM 628 CA ALA A 982 -2.868 -9.846 1.523 1.00 0.00 C ATOM 629 C ALA A 982 -2.590 -10.235 2.976 1.00 0.00 C ATOM 630 O ALA A 982 -1.791 -11.132 3.248 1.00 0.00 O ATOM 631 CB ALA A 982 -2.079 -8.581 1.131 1.00 0.00 C ATOM 0 H ALA A 982 -4.550 -8.663 1.079 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.541 -10.672 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.015 -8.751 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.254 -8.354 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.409 -7.742 1.743 1.00 0.00 H new ATOM 637 N LEU A 983 -3.259 -9.559 3.899 1.00 0.00 N ATOM 638 CA LEU A 983 -3.095 -9.836 5.318 1.00 0.00 C ATOM 639 C LEU A 983 -3.712 -11.195 5.623 1.00 0.00 C ATOM 640 O LEU A 983 -3.338 -11.867 6.583 1.00 0.00 O ATOM 641 CB LEU A 983 -3.753 -8.725 6.177 1.00 0.00 C ATOM 642 CG LEU A 983 -2.749 -7.591 6.461 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.385 -6.826 5.173 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.355 -6.628 7.495 1.00 0.00 C ATOM 0 H LEU A 983 -3.922 -8.813 3.689 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.034 -9.852 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.624 -8.325 5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.108 -9.147 7.117 1.00 0.00 H new ATOM 0 HG LEU A 983 -1.832 -8.029 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.675 -6.033 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.936 -7.513 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.286 -6.390 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.649 -5.823 7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.281 -6.207 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.566 -7.170 8.417 1.00 0.00 H new ATOM 656 N SER A 984 -4.656 -11.586 4.779 1.00 0.00 N ATOM 657 CA SER A 984 -5.332 -12.870 4.939 1.00 0.00 C ATOM 658 C SER A 984 -4.448 -14.003 4.417 1.00 0.00 C ATOM 659 O SER A 984 -4.788 -15.178 4.547 1.00 0.00 O ATOM 660 CB SER A 984 -6.657 -12.863 4.174 1.00 0.00 C ATOM 661 OG SER A 984 -7.344 -14.084 4.410 1.00 0.00 O ATOM 0 H SER A 984 -4.972 -11.037 3.979 1.00 0.00 H new ATOM 0 HA SER A 984 -5.527 -13.030 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.270 -12.020 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.473 -12.737 3.107 1.00 0.00 H new ATOM 0 HG SER A 984 -6.699 -14.821 4.444 1.00 0.00 H new ATOM 667 N GLY A 985 -3.303 -13.636 3.845 1.00 0.00 N ATOM 668 CA GLY A 985 -2.356 -14.622 3.322 1.00 0.00 C ATOM 669 C GLY A 985 -2.605 -14.920 1.846 1.00 0.00 C ATOM 670 O GLY A 985 -2.303 -16.014 1.367 1.00 0.00 O ATOM 0 H GLY A 985 -3.008 -12.666 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.339 -14.253 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.436 -15.544 3.898 1.00 0.00 H new ATOM 674 N ALA A 986 -3.152 -13.946 1.125 1.00 0.00 N ATOM 675 CA ALA A 986 -3.427 -14.131 -0.298 1.00 0.00 C ATOM 676 C ALA A 986 -2.137 -14.272 -1.082 1.00 0.00 C ATOM 677 O ALA A 986 -1.100 -13.736 -0.693 1.00 0.00 O ATOM 678 CB ALA A 986 -4.217 -12.954 -0.852 1.00 0.00 C ATOM 0 H ALA A 986 -3.411 -13.032 1.495 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.015 -15.043 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.411 -13.113 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.164 -12.868 -0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.643 -12.037 -0.721 1.00 0.00 H new ATOM 684 N SER A 987 -2.209 -14.998 -2.194 1.00 0.00 N ATOM 685 CA SER A 987 -1.039 -15.206 -3.040 1.00 0.00 C ATOM 686 C SER A 987 -1.127 -14.366 -4.307 1.00 0.00 C ATOM 687 O SER A 987 -0.232 -14.407 -5.151 1.00 0.00 O ATOM 688 CB SER A 987 -0.915 -16.686 -3.407 1.00 0.00 C ATOM 689 OG SER A 987 0.131 -16.848 -4.357 1.00 0.00 O ATOM 0 H SER A 987 -3.060 -15.450 -2.529 1.00 0.00 H new ATOM 0 HA SER A 987 -0.156 -14.896 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 987 -0.707 -17.278 -2.515 1.00 0.00 H new ATOM 0 HB3 SER A 987 -1.856 -17.051 -3.819 1.00 0.00 H new ATOM 0 HG SER A 987 0.506 -15.971 -4.584 1.00 0.00 H new ATOM 695 N ASP A 988 -2.207 -13.599 -4.437 1.00 0.00 N ATOM 696 CA ASP A 988 -2.381 -12.750 -5.609 1.00 0.00 C ATOM 697 C ASP A 988 -1.107 -11.936 -5.843 1.00 0.00 C ATOM 698 O ASP A 988 -0.410 -11.604 -4.888 1.00 0.00 O ATOM 699 CB ASP A 988 -3.562 -11.803 -5.391 1.00 0.00 C ATOM 700 CG ASP A 988 -4.874 -12.571 -5.501 1.00 0.00 C ATOM 701 OD1 ASP A 988 -5.310 -13.108 -4.497 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.427 -12.608 -6.590 1.00 0.00 O ATOM 0 H ASP A 988 -2.964 -13.549 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.579 -13.374 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.487 -11.335 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.537 -11.002 -6.130 1.00 0.00 H new ATOM 707 N PRO A 989 -0.781 -11.610 -7.068 1.00 0.00 N ATOM 708 CA PRO A 989 0.458 -10.828 -7.368 1.00 0.00 C ATOM 709 C PRO A 989 0.449 -9.476 -6.658 1.00 0.00 C ATOM 710 O PRO A 989 1.489 -8.982 -6.217 1.00 0.00 O ATOM 711 CB PRO A 989 0.435 -10.673 -8.905 1.00 0.00 C ATOM 712 CG PRO A 989 -0.981 -10.941 -9.312 1.00 0.00 C ATOM 713 CD PRO A 989 -1.536 -11.928 -8.288 1.00 0.00 C ATOM 0 HA PRO A 989 1.364 -11.322 -7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.747 -9.672 -9.203 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.120 -11.375 -9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.565 -10.020 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -1.025 -11.357 -10.318 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.608 -11.797 -8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.380 -12.961 -8.600 1.00 0.00 H new ATOM 721 N ASP A 990 -0.737 -8.894 -6.539 1.00 0.00 N ATOM 722 CA ASP A 990 -0.886 -7.609 -5.873 1.00 0.00 C ATOM 723 C ASP A 990 -0.693 -7.754 -4.363 1.00 0.00 C ATOM 724 O ASP A 990 -0.283 -6.812 -3.689 1.00 0.00 O ATOM 725 CB ASP A 990 -2.276 -7.036 -6.157 1.00 0.00 C ATOM 726 CG ASP A 990 -2.424 -6.716 -7.640 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.416 -6.448 -8.274 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.543 -6.752 -8.122 1.00 0.00 O ATOM 0 H ASP A 990 -1.607 -9.291 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.124 -6.932 -6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -3.040 -7.752 -5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.432 -6.134 -5.566 1.00 0.00 H new ATOM 733 N SER A 991 -1.000 -8.937 -3.834 1.00 0.00 N ATOM 734 CA SER A 991 -0.858 -9.178 -2.401 1.00 0.00 C ATOM 735 C SER A 991 0.607 -9.252 -1.992 1.00 0.00 C ATOM 736 O SER A 991 1.043 -8.550 -1.081 1.00 0.00 O ATOM 737 CB SER A 991 -1.566 -10.477 -2.018 1.00 0.00 C ATOM 738 OG SER A 991 -1.027 -10.963 -0.798 1.00 0.00 O ATOM 0 H SER A 991 -1.344 -9.734 -4.369 1.00 0.00 H new ATOM 0 HA SER A 991 -1.316 -8.341 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.637 -10.303 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.440 -11.219 -2.806 1.00 0.00 H new ATOM 0 HG SER A 991 -1.067 -11.942 -0.790 1.00 0.00 H new ATOM 744 N GLN A 992 1.367 -10.102 -2.672 1.00 0.00 N ATOM 745 CA GLN A 992 2.781 -10.237 -2.353 1.00 0.00 C ATOM 746 C GLN A 992 3.508 -8.942 -2.691 1.00 0.00 C ATOM 747 O GLN A 992 4.380 -8.493 -1.947 1.00 0.00 O ATOM 748 CB GLN A 992 3.397 -11.425 -3.112 1.00 0.00 C ATOM 749 CG GLN A 992 2.670 -11.631 -4.442 1.00 0.00 C ATOM 750 CD GLN A 992 3.516 -12.489 -5.380 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.744 -12.427 -5.342 1.00 0.00 O ATOM 752 NE2 GLN A 992 2.925 -13.289 -6.223 1.00 0.00 N ATOM 0 H GLN A 992 1.036 -10.696 -3.432 1.00 0.00 H new ATOM 0 HA GLN A 992 2.888 -10.432 -1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.456 -11.242 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.328 -12.329 -2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.707 -12.111 -4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.465 -10.666 -4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 992 1.907 -13.338 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 992 3.481 -13.866 -6.854 1.00 0.00 H new ATOM 761 N ARG A 993 3.130 -8.333 -3.810 1.00 0.00 N ATOM 762 CA ARG A 993 3.745 -7.079 -4.218 1.00 0.00 C ATOM 763 C ARG A 993 3.418 -5.988 -3.206 1.00 0.00 C ATOM 764 O ARG A 993 4.273 -5.175 -2.864 1.00 0.00 O ATOM 765 CB ARG A 993 3.248 -6.679 -5.611 1.00 0.00 C ATOM 766 CG ARG A 993 3.844 -7.631 -6.668 1.00 0.00 C ATOM 767 CD ARG A 993 5.202 -7.109 -7.157 1.00 0.00 C ATOM 768 NE ARG A 993 5.034 -5.813 -7.802 1.00 0.00 N ATOM 769 CZ ARG A 993 6.054 -5.184 -8.376 1.00 0.00 C ATOM 770 NH1 ARG A 993 7.231 -5.745 -8.428 1.00 0.00 N ATOM 771 NH2 ARG A 993 5.872 -4.004 -8.905 1.00 0.00 N ATOM 0 H ARG A 993 2.410 -8.683 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 993 4.827 -7.209 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.159 -6.718 -5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.537 -5.651 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 993 3.963 -8.628 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.159 -7.723 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.891 -7.020 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 993 5.643 -7.819 -7.857 1.00 0.00 H new ATOM 0 HE ARG A 993 4.111 -5.378 -7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 993 7.372 -6.672 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 993 8.010 -5.257 -8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 993 4.950 -3.569 -8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 993 6.652 -3.517 -9.347 1.00 0.00 H new ATOM 785 N TYR A 994 2.180 -5.984 -2.714 1.00 0.00 N ATOM 786 CA TYR A 994 1.776 -4.997 -1.718 1.00 0.00 C ATOM 787 C TYR A 994 2.610 -5.168 -0.456 1.00 0.00 C ATOM 788 O TYR A 994 3.179 -4.206 0.055 1.00 0.00 O ATOM 789 CB TYR A 994 0.281 -5.148 -1.381 1.00 0.00 C ATOM 790 CG TYR A 994 -0.021 -4.417 -0.081 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.236 -3.045 0.024 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.525 -5.118 1.024 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.013 -2.375 1.229 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.776 -4.446 2.227 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.520 -3.075 2.329 1.00 0.00 C ATOM 796 OH TYR A 994 -0.762 -2.415 3.517 1.00 0.00 O ATOM 0 H TYR A 994 1.450 -6.643 -2.985 1.00 0.00 H new ATOM 0 HA TYR A 994 1.940 -4.001 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.328 -4.742 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.023 -6.203 -1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.626 -2.503 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.720 -6.177 0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 994 0.187 -1.317 1.309 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.167 -4.987 3.076 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.457 -1.738 3.379 1.00 0.00 H new ATOM 806 N ASN A 995 2.677 -6.397 0.040 1.00 0.00 N ATOM 807 CA ASN A 995 3.445 -6.661 1.242 1.00 0.00 C ATOM 808 C ASN A 995 4.888 -6.226 1.026 1.00 0.00 C ATOM 809 O ASN A 995 5.504 -5.643 1.916 1.00 0.00 O ATOM 810 CB ASN A 995 3.397 -8.156 1.587 1.00 0.00 C ATOM 811 CG ASN A 995 2.071 -8.501 2.259 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.049 -9.230 3.250 1.00 0.00 O ATOM 813 ND2 ASN A 995 0.960 -8.016 1.778 1.00 0.00 N ATOM 0 H ASN A 995 2.216 -7.212 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 995 3.015 -6.098 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.519 -8.750 0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.225 -8.411 2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 995 0.070 -8.241 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 995 0.981 -7.412 0.956 1.00 0.00 H new ATOM 820 N ALA A 996 5.421 -6.498 -0.162 1.00 0.00 N ATOM 821 CA ALA A 996 6.790 -6.101 -0.457 1.00 0.00 C ATOM 822 C ALA A 996 6.899 -4.584 -0.488 1.00 0.00 C ATOM 823 O ALA A 996 7.797 -4.008 0.099 1.00 0.00 O ATOM 824 CB ALA A 996 7.224 -6.637 -1.816 1.00 0.00 C ATOM 0 H ALA A 996 4.937 -6.981 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 996 7.432 -6.511 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.250 -6.329 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.165 -7.725 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.567 -6.240 -2.590 1.00 0.00 H new ATOM 830 N TRP A 997 5.971 -3.943 -1.180 1.00 0.00 N ATOM 831 CA TRP A 997 5.988 -2.496 -1.276 1.00 0.00 C ATOM 832 C TRP A 997 5.956 -1.901 0.121 1.00 0.00 C ATOM 833 O TRP A 997 6.664 -0.943 0.425 1.00 0.00 O ATOM 834 CB TRP A 997 4.784 -2.012 -2.090 1.00 0.00 C ATOM 835 CG TRP A 997 4.718 -0.519 -2.066 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.395 0.302 -2.903 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.942 0.343 -1.187 1.00 0.00 C ATOM 838 NE1 TRP A 997 5.088 1.613 -2.589 1.00 0.00 N ATOM 839 CE2 TRP A 997 4.196 1.690 -1.537 1.00 0.00 C ATOM 840 CE3 TRP A 997 3.052 0.091 -0.127 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.587 2.749 -0.864 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.439 1.155 0.556 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.706 2.481 0.187 1.00 0.00 C ATOM 0 H TRP A 997 5.205 -4.397 -1.678 1.00 0.00 H new ATOM 0 HA TRP A 997 6.898 -2.174 -1.781 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.864 -2.364 -3.118 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.865 -2.432 -1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 997 6.065 -0.015 -3.688 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.473 2.423 -3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.839 -0.927 0.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.795 3.769 -1.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.759 0.950 1.369 1.00 0.00 H new ATOM 0 HH2 TRP A 997 2.231 3.295 0.715 1.00 0.00 H new ATOM 854 N LEU A 998 5.141 -2.507 0.976 1.00 0.00 N ATOM 855 CA LEU A 998 5.033 -2.070 2.355 1.00 0.00 C ATOM 856 C LEU A 998 6.391 -2.287 3.024 1.00 0.00 C ATOM 857 O LEU A 998 6.873 -1.454 3.791 1.00 0.00 O ATOM 858 CB LEU A 998 3.910 -2.883 3.046 1.00 0.00 C ATOM 859 CG LEU A 998 3.617 -2.451 4.511 1.00 0.00 C ATOM 860 CD1 LEU A 998 4.514 -3.207 5.492 1.00 0.00 C ATOM 861 CD2 LEU A 998 3.820 -0.948 4.710 1.00 0.00 C ATOM 0 H LEU A 998 4.548 -3.301 0.735 1.00 0.00 H new ATOM 0 HA LEU A 998 4.774 -1.014 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 998 2.995 -2.787 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.184 -3.938 3.038 1.00 0.00 H new ATOM 0 HG LEU A 998 2.572 -2.693 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 998 4.290 -2.888 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 998 4.333 -4.278 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 998 5.559 -2.995 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 998 3.605 -0.686 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 998 4.852 -0.686 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.148 -0.400 4.050 1.00 0.00 H new ATOM 873 N GLU A 999 7.017 -3.414 2.695 1.00 0.00 N ATOM 874 CA GLU A 999 8.331 -3.739 3.240 1.00 0.00 C ATOM 875 C GLU A 999 9.353 -2.688 2.792 1.00 0.00 C ATOM 876 O GLU A 999 10.174 -2.219 3.588 1.00 0.00 O ATOM 877 CB GLU A 999 8.759 -5.137 2.772 1.00 0.00 C ATOM 878 CG GLU A 999 10.069 -5.527 3.456 1.00 0.00 C ATOM 879 CD GLU A 999 10.475 -6.938 3.045 1.00 0.00 C ATOM 880 OE1 GLU A 999 9.642 -7.636 2.489 1.00 0.00 O ATOM 881 OE2 GLU A 999 11.612 -7.302 3.297 1.00 0.00 O ATOM 0 H GLU A 999 6.638 -4.114 2.057 1.00 0.00 H new ATOM 0 HA GLU A 999 8.281 -3.736 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 999 7.983 -5.864 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 999 8.885 -5.146 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 999 10.854 -4.821 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 999 9.953 -5.474 4.539 1.00 0.00 H new ATOM 888 N LEU A1000 9.277 -2.296 1.520 1.00 0.00 N ATOM 889 CA LEU A1000 10.185 -1.286 0.992 1.00 0.00 C ATOM 890 C LEU A1000 9.992 -0.004 1.782 1.00 0.00 C ATOM 891 O LEU A1000 10.951 0.667 2.145 1.00 0.00 O ATOM 892 CB LEU A1000 9.887 -0.996 -0.489 1.00 0.00 C ATOM 893 CG LEU A1000 10.138 -2.231 -1.373 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.935 -1.841 -2.841 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.565 -2.762 -1.175 1.00 0.00 C ATOM 0 H LEU A1000 8.603 -2.659 0.846 1.00 0.00 H new ATOM 0 HA LEU A1000 11.207 -1.654 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.850 -0.677 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.512 -0.171 -0.831 1.00 0.00 H new ATOM 0 HG LEU A1000 9.437 -3.017 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A1000 10.111 -2.709 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.914 -1.486 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A1000 10.635 -1.049 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.720 -3.635 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.282 -1.986 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.707 -3.042 -0.131 1.00 0.00 H new ATOM 907 N ARG A1001 8.741 0.323 2.058 1.00 0.00 N ATOM 908 CA ARG A1001 8.440 1.519 2.820 1.00 0.00 C ATOM 909 C ARG A1001 9.083 1.449 4.194 1.00 0.00 C ATOM 910 O ARG A1001 9.653 2.430 4.671 1.00 0.00 O ATOM 911 CB ARG A1001 6.919 1.692 2.927 1.00 0.00 C ATOM 912 CG ARG A1001 6.538 2.561 4.136 1.00 0.00 C ATOM 913 CD ARG A1001 5.042 2.874 4.080 1.00 0.00 C ATOM 914 NE ARG A1001 4.668 3.782 5.157 1.00 0.00 N ATOM 915 CZ ARG A1001 4.556 3.355 6.411 1.00 0.00 C ATOM 916 NH1 ARG A1001 4.795 2.104 6.698 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.214 4.186 7.357 1.00 0.00 N ATOM 0 H ARG A1001 7.926 -0.218 1.769 1.00 0.00 H new ATOM 0 HA ARG A1001 8.852 2.387 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.538 2.149 2.014 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.445 0.714 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A1001 6.778 2.040 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.115 3.485 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.794 3.321 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.468 1.951 4.160 1.00 0.00 H new ATOM 0 HE ARG A1001 4.489 4.763 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.068 1.455 5.960 1.00 0.00 H new ATOM 0 HH12 ARG A1001 4.709 1.776 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.032 5.165 7.135 1.00 0.00 H new ATOM 0 HH22 ARG A1001 4.128 3.857 8.319 1.00 0.00 H new ATOM 931 N ALA A1002 8.994 0.294 4.825 1.00 0.00 N ATOM 932 CA ALA A1002 9.576 0.143 6.136 1.00 0.00 C ATOM 933 C ALA A1002 11.056 0.466 6.055 1.00 0.00 C ATOM 934 O ALA A1002 11.634 1.026 6.986 1.00 0.00 O ATOM 935 CB ALA A1002 9.369 -1.284 6.649 1.00 0.00 C ATOM 0 H ALA A1002 8.532 -0.537 4.456 1.00 0.00 H new ATOM 0 HA ALA A1002 9.091 0.826 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A1002 9.814 -1.383 7.639 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.302 -1.498 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A1002 9.844 -1.989 5.966 1.00 0.00 H new ATOM 941 N LYS A1003 11.656 0.122 4.922 1.00 0.00 N ATOM 942 CA LYS A1003 13.075 0.396 4.719 1.00 0.00 C ATOM 943 C LYS A1003 13.326 1.897 4.556 1.00 0.00 C ATOM 944 O LYS A1003 14.320 2.420 5.054 1.00 0.00 O ATOM 945 CB LYS A1003 13.612 -0.353 3.496 1.00 0.00 C ATOM 946 CG LYS A1003 13.533 -1.856 3.747 1.00 0.00 C ATOM 947 CD LYS A1003 14.143 -2.597 2.556 1.00 0.00 C ATOM 948 CE LYS A1003 14.147 -4.104 2.825 1.00 0.00 C ATOM 949 NZ LYS A1003 14.673 -4.818 1.628 1.00 0.00 N ATOM 0 H LYS A1003 11.192 -0.340 4.140 1.00 0.00 H new ATOM 0 HA LYS A1003 13.604 0.045 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.032 -0.090 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A1003 14.643 -0.060 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A1003 14.066 -2.113 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A1003 12.496 -2.160 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A1003 13.573 -2.382 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.161 -2.247 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A1003 14.763 -4.328 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A1003 13.138 -4.447 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 14.677 -5.842 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 14.067 -4.613 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.643 -4.498 1.431 1.00 0.00 H new ATOM 963 N ARG A1004 12.428 2.582 3.834 1.00 0.00 N ATOM 964 CA ARG A1004 12.580 4.023 3.596 1.00 0.00 C ATOM 965 C ARG A1004 12.848 4.773 4.904 1.00 0.00 C ATOM 966 O ARG A1004 13.932 4.672 5.478 1.00 0.00 O ATOM 967 CB ARG A1004 11.314 4.602 2.942 1.00 0.00 C ATOM 968 CG ARG A1004 11.093 3.975 1.564 1.00 0.00 C ATOM 969 CD ARG A1004 9.851 4.587 0.912 1.00 0.00 C ATOM 970 NE ARG A1004 9.521 3.868 -0.312 1.00 0.00 N ATOM 971 CZ ARG A1004 8.493 4.237 -1.072 1.00 0.00 C ATOM 972 NH1 ARG A1004 7.770 5.269 -0.734 1.00 0.00 N ATOM 973 NH2 ARG A1004 8.206 3.567 -2.156 1.00 0.00 N ATOM 0 H ARG A1004 11.599 2.167 3.409 1.00 0.00 H new ATOM 0 HA ARG A1004 13.431 4.153 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A1004 10.449 4.413 3.578 1.00 0.00 H new ATOM 0 HB3 ARG A1004 11.408 5.684 2.846 1.00 0.00 H new ATOM 0 HG2 ARG A1004 11.966 4.142 0.933 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.971 2.896 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A1004 9.010 4.547 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A1004 10.029 5.639 0.688 1.00 0.00 H new ATOM 0 HE ARG A1004 10.088 3.068 -0.591 1.00 0.00 H new ATOM 0 HH11 ARG A1004 7.993 5.793 0.113 1.00 0.00 H new ATOM 0 HH12 ARG A1004 6.982 5.552 -1.316 1.00 0.00 H new ATOM 0 HH21 ARG A1004 8.770 2.760 -2.421 1.00 0.00 H new ATOM 0 HH22 ARG A1004 7.418 3.851 -2.737 1.00 0.00 H new ATOM 987 N LEU A1005 11.850 5.530 5.362 1.00 0.00 N ATOM 988 CA LEU A1005 11.965 6.307 6.599 1.00 0.00 C ATOM 989 C LEU A1005 13.384 6.847 6.780 1.00 0.00 C ATOM 990 O LEU A1005 13.875 6.975 7.902 1.00 0.00 O ATOM 991 CB LEU A1005 11.586 5.429 7.796 1.00 0.00 C ATOM 992 CG LEU A1005 10.100 5.039 7.711 1.00 0.00 C ATOM 993 CD1 LEU A1005 9.822 3.894 8.688 1.00 0.00 C ATOM 994 CD2 LEU A1005 9.201 6.238 8.068 1.00 0.00 C ATOM 0 H LEU A1005 10.949 5.622 4.893 1.00 0.00 H new ATOM 0 HA LEU A1005 11.284 7.156 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A1005 12.206 4.532 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A1005 11.778 5.965 8.726 1.00 0.00 H new ATOM 0 HG LEU A1005 9.879 4.726 6.691 1.00 0.00 H new ATOM 0 HD11 LEU A1005 8.770 3.614 8.631 1.00 0.00 H new ATOM 0 HD12 LEU A1005 10.440 3.035 8.427 1.00 0.00 H new ATOM 0 HD13 LEU A1005 10.057 4.216 9.702 1.00 0.00 H new ATOM 0 HD21 LEU A1005 8.154 5.941 8.002 1.00 0.00 H new ATOM 0 HD22 LEU A1005 9.421 6.568 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A1005 9.391 7.055 7.372 1.00 0.00 H new ATOM 1006 N SER A1006 14.034 7.161 5.665 1.00 0.00 N ATOM 1007 CA SER A1006 15.394 7.688 5.707 1.00 0.00 C ATOM 1008 C SER A1006 16.270 6.838 6.622 1.00 0.00 C ATOM 1009 O SER A1006 16.702 7.359 7.638 1.00 0.00 O ATOM 1010 CB SER A1006 15.378 9.128 6.217 1.00 0.00 C ATOM 1011 OG SER A1006 14.422 9.884 5.485 1.00 0.00 O ATOM 0 H SER A1006 13.645 7.061 4.727 1.00 0.00 H new ATOM 0 HA SER A1006 15.805 7.661 4.698 1.00 0.00 H new ATOM 0 HB2 SER A1006 15.134 9.145 7.279 1.00 0.00 H new ATOM 0 HB3 SER A1006 16.367 9.573 6.110 1.00 0.00 H new ATOM 0 HG SER A1006 14.412 10.807 5.815 1.00 0.00 H new TER 1017 SER A1006