USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 971 THR OG1 : rot 179:sc= 0.231 USER MOD Set 1.2: A 974 GLN :FLIP amide:sc= -7.28! C(o=-8.8!,f=-7!) USER MOD Single : A 947 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -0.0414! K(o=-0.041!,f=-1.4) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -167:sc= -1.67 (180deg=-2.87) USER MOD Single : A 973 GLN : amide:sc= -0.432! C(o=-0.43!,f=-4.6!) USER MOD Single : A 979 LYS NZ :NH3+ -109:sc= -1.42 (180deg=-3.86!) USER MOD Single : A 984 SER OG : rot 86:sc= 0.816 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -137:sc= 0.965 USER MOD Single : A 992 GLN :FLIP amide:sc= -0.437 F(o=-0.94,f=-0.44) USER MOD Single : A 994 TYR OH : rot 180:sc= 0 USER MOD Single : A 995 ASN :FLIP amide:sc= -0.0513 F(o=-1.5!,f=-0.051) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 SER OG : rot -76:sc= 0.00522 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -12.535 16.046 0.581 1.00 0.00 N ATOM 2 CA GLY A 945 -13.692 15.288 0.024 1.00 0.00 C ATOM 3 C GLY A 945 -14.918 15.516 0.899 1.00 0.00 C ATOM 4 O GLY A 945 -15.663 16.477 0.711 1.00 0.00 O ATOM 0 HA2 GLY A 945 -13.895 15.612 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -13.456 14.225 -0.020 1.00 0.00 H new ATOM 7 N ALA A 946 -15.120 14.619 1.862 1.00 0.00 N ATOM 8 CA ALA A 946 -16.257 14.713 2.775 1.00 0.00 C ATOM 9 C ALA A 946 -15.895 14.104 4.126 1.00 0.00 C ATOM 10 O ALA A 946 -15.028 13.238 4.210 1.00 0.00 O ATOM 11 CB ALA A 946 -17.462 13.979 2.188 1.00 0.00 C ATOM 0 H ALA A 946 -14.511 13.818 2.030 1.00 0.00 H new ATOM 0 HA ALA A 946 -16.510 15.764 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -18.304 14.055 2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -17.732 14.429 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -17.210 12.929 2.037 1.00 0.00 H new ATOM 17 N MET A 947 -16.561 14.566 5.179 1.00 0.00 N ATOM 18 CA MET A 947 -16.300 14.060 6.524 1.00 0.00 C ATOM 19 C MET A 947 -16.768 12.612 6.650 1.00 0.00 C ATOM 20 O MET A 947 -16.490 11.937 7.641 1.00 0.00 O ATOM 21 CB MET A 947 -17.021 14.942 7.550 1.00 0.00 C ATOM 22 CG MET A 947 -16.591 14.562 8.968 1.00 0.00 C ATOM 23 SD MET A 947 -17.265 15.769 10.139 1.00 0.00 S ATOM 24 CE MET A 947 -15.856 16.904 10.128 1.00 0.00 C ATOM 0 H MET A 947 -17.282 15.286 5.129 1.00 0.00 H new ATOM 0 HA MET A 947 -15.227 14.090 6.714 1.00 0.00 H new ATOM 0 HB2 MET A 947 -16.794 15.991 7.362 1.00 0.00 H new ATOM 0 HB3 MET A 947 -18.100 14.826 7.446 1.00 0.00 H new ATOM 0 HG2 MET A 947 -16.948 13.562 9.213 1.00 0.00 H new ATOM 0 HG3 MET A 947 -15.503 14.539 9.037 1.00 0.00 H new ATOM 0 HE1 MET A 947 -16.058 17.741 10.796 1.00 0.00 H new ATOM 0 HE2 MET A 947 -14.963 16.378 10.465 1.00 0.00 H new ATOM 0 HE3 MET A 947 -15.697 17.277 9.116 1.00 0.00 H new ATOM 34 N ALA A 948 -17.483 12.144 5.633 1.00 0.00 N ATOM 35 CA ALA A 948 -17.997 10.777 5.626 1.00 0.00 C ATOM 36 C ALA A 948 -16.865 9.756 5.705 1.00 0.00 C ATOM 37 O ALA A 948 -17.030 8.683 6.285 1.00 0.00 O ATOM 38 CB ALA A 948 -18.811 10.539 4.352 1.00 0.00 C ATOM 0 H ALA A 948 -17.720 12.689 4.804 1.00 0.00 H new ATOM 0 HA ALA A 948 -18.632 10.651 6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -19.193 9.518 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -19.646 11.239 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -18.175 10.690 3.480 1.00 0.00 H new ATOM 44 N ILE A 949 -15.720 10.082 5.111 1.00 0.00 N ATOM 45 CA ILE A 949 -14.580 9.167 5.126 1.00 0.00 C ATOM 46 C ILE A 949 -14.375 8.581 6.519 1.00 0.00 C ATOM 47 O ILE A 949 -15.012 9.009 7.482 1.00 0.00 O ATOM 48 CB ILE A 949 -13.311 9.898 4.672 1.00 0.00 C ATOM 49 CG1 ILE A 949 -13.009 11.065 5.620 1.00 0.00 C ATOM 50 CG2 ILE A 949 -13.516 10.437 3.253 1.00 0.00 C ATOM 51 CD1 ILE A 949 -11.695 11.735 5.208 1.00 0.00 C ATOM 0 H ILE A 949 -15.557 10.961 4.619 1.00 0.00 H new ATOM 0 HA ILE A 949 -14.787 8.350 4.435 1.00 0.00 H new ATOM 0 HB ILE A 949 -12.473 9.201 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -13.823 11.790 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -12.939 10.704 6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -12.615 10.957 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -13.721 9.608 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -14.358 11.129 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -11.482 12.564 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -10.884 11.008 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -11.782 12.110 4.188 1.00 0.00 H new ATOM 63 N ALA A 950 -13.483 7.598 6.621 1.00 0.00 N ATOM 64 CA ALA A 950 -13.199 6.954 7.906 1.00 0.00 C ATOM 65 C ALA A 950 -11.716 6.617 8.025 1.00 0.00 C ATOM 66 O ALA A 950 -11.263 6.129 9.060 1.00 0.00 O ATOM 67 CB ALA A 950 -14.029 5.675 8.040 1.00 0.00 C ATOM 0 H ALA A 950 -12.946 7.230 5.836 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.464 7.647 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.814 5.200 8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -15.089 5.922 7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -13.776 4.990 7.230 1.00 0.00 H new ATOM 73 N LEU A 951 -10.962 6.896 6.967 1.00 0.00 N ATOM 74 CA LEU A 951 -9.527 6.631 6.973 1.00 0.00 C ATOM 75 C LEU A 951 -8.791 7.719 7.758 1.00 0.00 C ATOM 76 O LEU A 951 -9.198 8.880 7.772 1.00 0.00 O ATOM 77 CB LEU A 951 -8.983 6.557 5.529 1.00 0.00 C ATOM 78 CG LEU A 951 -9.099 5.128 4.980 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.567 4.742 4.804 1.00 0.00 C ATOM 80 CD2 LEU A 951 -8.387 5.049 3.628 1.00 0.00 C ATOM 0 H LEU A 951 -11.316 7.302 6.101 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.356 5.670 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.538 7.244 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.941 6.876 5.511 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.637 4.438 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.632 3.726 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -11.075 4.794 5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -11.043 5.430 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -8.466 4.036 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.851 5.747 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -7.336 5.308 3.755 1.00 0.00 H new ATOM 92 N ARG A 952 -7.698 7.324 8.403 1.00 0.00 N ATOM 93 CA ARG A 952 -6.891 8.256 9.188 1.00 0.00 C ATOM 94 C ARG A 952 -5.911 8.995 8.287 1.00 0.00 C ATOM 95 O ARG A 952 -5.756 8.654 7.117 1.00 0.00 O ATOM 96 CB ARG A 952 -6.118 7.494 10.266 1.00 0.00 C ATOM 97 CG ARG A 952 -7.080 7.032 11.362 1.00 0.00 C ATOM 98 CD ARG A 952 -6.314 6.206 12.396 1.00 0.00 C ATOM 99 NE ARG A 952 -7.182 5.854 13.513 1.00 0.00 N ATOM 100 CZ ARG A 952 -6.767 5.031 14.469 1.00 0.00 C ATOM 101 NH1 ARG A 952 -5.582 4.487 14.393 1.00 0.00 N ATOM 102 NH2 ARG A 952 -7.545 4.760 15.483 1.00 0.00 N ATOM 0 H ARG A 952 -7.349 6.365 8.399 1.00 0.00 H new ATOM 0 HA ARG A 952 -7.555 8.980 9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.613 6.634 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.345 8.133 10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.544 7.894 11.841 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.884 6.437 10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -5.925 5.300 11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -5.456 6.772 12.759 1.00 0.00 H new ATOM 0 HE ARG A 952 -8.123 6.246 13.561 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -4.976 4.694 13.599 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -5.263 3.855 15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -8.472 5.181 15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -7.225 4.128 16.217 1.00 0.00 H new ATOM 116 N ASP A 953 -5.249 10.009 8.835 1.00 0.00 N ATOM 117 CA ASP A 953 -4.282 10.777 8.058 1.00 0.00 C ATOM 118 C ASP A 953 -3.155 9.859 7.588 1.00 0.00 C ATOM 119 O ASP A 953 -2.711 9.940 6.442 1.00 0.00 O ATOM 120 CB ASP A 953 -3.711 11.919 8.920 1.00 0.00 C ATOM 121 CG ASP A 953 -4.626 13.148 8.880 1.00 0.00 C ATOM 122 OD1 ASP A 953 -5.538 13.168 8.070 1.00 0.00 O ATOM 123 OD2 ASP A 953 -4.396 14.054 9.664 1.00 0.00 O ATOM 0 H ASP A 953 -5.362 10.315 9.801 1.00 0.00 H new ATOM 0 HA ASP A 953 -4.777 11.206 7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.596 11.580 9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -2.718 12.189 8.561 1.00 0.00 H new ATOM 128 N ASP A 954 -2.708 8.975 8.473 1.00 0.00 N ATOM 129 CA ASP A 954 -1.650 8.034 8.128 1.00 0.00 C ATOM 130 C ASP A 954 -2.141 7.100 7.030 1.00 0.00 C ATOM 131 O ASP A 954 -1.415 6.782 6.087 1.00 0.00 O ATOM 132 CB ASP A 954 -1.256 7.219 9.361 1.00 0.00 C ATOM 133 CG ASP A 954 -0.480 8.096 10.338 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.022 9.147 9.925 1.00 0.00 O ATOM 135 OD2 ASP A 954 -0.361 7.703 11.487 1.00 0.00 O ATOM 0 H ASP A 954 -3.059 8.891 9.427 1.00 0.00 H new ATOM 0 HA ASP A 954 -0.779 8.585 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.148 6.822 9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.648 6.365 9.064 1.00 0.00 H new ATOM 140 N GLU A 955 -3.390 6.674 7.169 1.00 0.00 N ATOM 141 CA GLU A 955 -4.014 5.781 6.205 1.00 0.00 C ATOM 142 C GLU A 955 -4.245 6.498 4.879 1.00 0.00 C ATOM 143 O GLU A 955 -4.037 5.933 3.804 1.00 0.00 O ATOM 144 CB GLU A 955 -5.353 5.307 6.760 1.00 0.00 C ATOM 145 CG GLU A 955 -5.115 4.439 7.996 1.00 0.00 C ATOM 146 CD GLU A 955 -4.481 3.114 7.589 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.599 2.757 6.429 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.895 2.471 8.444 1.00 0.00 O ATOM 0 H GLU A 955 -3.994 6.936 7.948 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.354 4.931 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.975 6.164 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.892 4.739 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.465 4.962 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.059 4.257 8.510 1.00 0.00 H new ATOM 155 N TYR A 956 -4.685 7.748 4.971 1.00 0.00 N ATOM 156 CA TYR A 956 -4.952 8.551 3.786 1.00 0.00 C ATOM 157 C TYR A 956 -3.675 8.722 2.978 1.00 0.00 C ATOM 158 O TYR A 956 -3.671 8.565 1.756 1.00 0.00 O ATOM 159 CB TYR A 956 -5.486 9.920 4.208 1.00 0.00 C ATOM 160 CG TYR A 956 -5.690 10.790 2.990 1.00 0.00 C ATOM 161 CD1 TYR A 956 -4.649 11.600 2.525 1.00 0.00 C ATOM 162 CD2 TYR A 956 -6.924 10.785 2.330 1.00 0.00 C ATOM 163 CE1 TYR A 956 -4.844 12.409 1.397 1.00 0.00 C ATOM 164 CE2 TYR A 956 -7.119 11.592 1.202 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.078 12.404 0.737 1.00 0.00 C ATOM 166 OH TYR A 956 -6.270 13.200 -0.373 1.00 0.00 O ATOM 0 H TYR A 956 -4.864 8.226 5.854 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.696 8.047 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.428 9.803 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.786 10.398 4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -3.697 11.602 3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -7.726 10.159 2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -4.042 13.036 1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -8.071 11.588 0.692 1.00 0.00 H new ATOM 0 HH TYR A 956 -7.182 13.076 -0.711 1.00 0.00 H new ATOM 176 N ASP A 957 -2.590 9.031 3.676 1.00 0.00 N ATOM 177 CA ASP A 957 -1.303 9.209 3.019 1.00 0.00 C ATOM 178 C ASP A 957 -0.854 7.894 2.398 1.00 0.00 C ATOM 179 O ASP A 957 -0.280 7.870 1.309 1.00 0.00 O ATOM 180 CB ASP A 957 -0.252 9.689 4.022 1.00 0.00 C ATOM 181 CG ASP A 957 1.011 10.113 3.281 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.989 10.098 2.061 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.982 10.442 3.943 1.00 0.00 O ATOM 0 H ASP A 957 -2.575 9.162 4.687 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.413 9.961 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.643 10.525 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.020 8.893 4.729 1.00 0.00 H new ATOM 188 N GLU A 958 -1.130 6.798 3.097 1.00 0.00 N ATOM 189 CA GLU A 958 -0.756 5.479 2.604 1.00 0.00 C ATOM 190 C GLU A 958 -1.513 5.172 1.318 1.00 0.00 C ATOM 191 O GLU A 958 -0.951 4.617 0.375 1.00 0.00 O ATOM 192 CB GLU A 958 -1.085 4.414 3.656 1.00 0.00 C ATOM 193 CG GLU A 958 -0.595 3.044 3.175 1.00 0.00 C ATOM 194 CD GLU A 958 -0.910 1.980 4.220 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.646 2.285 5.144 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.416 0.874 4.078 1.00 0.00 O ATOM 0 H GLU A 958 -1.607 6.797 3.999 1.00 0.00 H new ATOM 0 HA GLU A 958 0.315 5.469 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.612 4.668 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -2.160 4.385 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -1.073 2.789 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.479 3.077 2.990 1.00 0.00 H new ATOM 203 N TRP A 959 -2.794 5.531 1.291 1.00 0.00 N ATOM 204 CA TRP A 959 -3.617 5.285 0.117 1.00 0.00 C ATOM 205 C TRP A 959 -3.108 6.102 -1.074 1.00 0.00 C ATOM 206 O TRP A 959 -2.904 5.572 -2.153 1.00 0.00 O ATOM 207 CB TRP A 959 -5.081 5.621 0.442 1.00 0.00 C ATOM 208 CG TRP A 959 -5.903 5.702 -0.804 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.014 4.732 -1.742 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.740 6.799 -1.243 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.870 5.176 -2.735 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.344 6.447 -2.472 1.00 0.00 C ATOM 213 CE3 TRP A 959 -7.029 8.058 -0.695 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.208 7.321 -3.134 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.893 8.942 -1.358 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.485 8.574 -2.575 1.00 0.00 C ATOM 0 H TRP A 959 -3.278 5.989 2.063 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.555 4.232 -0.158 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.494 4.860 1.105 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.130 6.570 0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.518 3.773 -1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.120 4.631 -3.560 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.583 8.349 0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.660 7.032 -4.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -8.103 9.911 -0.929 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.153 9.256 -3.080 1.00 0.00 H new ATOM 227 N GLN A 960 -2.885 7.391 -0.883 1.00 0.00 N ATOM 228 CA GLN A 960 -2.390 8.209 -1.986 1.00 0.00 C ATOM 229 C GLN A 960 -1.012 7.725 -2.429 1.00 0.00 C ATOM 230 O GLN A 960 -0.701 7.684 -3.622 1.00 0.00 O ATOM 231 CB GLN A 960 -2.309 9.677 -1.560 1.00 0.00 C ATOM 232 CG GLN A 960 -3.720 10.229 -1.343 1.00 0.00 C ATOM 233 CD GLN A 960 -4.464 10.308 -2.672 1.00 0.00 C ATOM 234 OE1 GLN A 960 -4.017 10.991 -3.594 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.574 9.642 -2.833 1.00 0.00 N ATOM 0 H GLN A 960 -3.032 7.886 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.083 8.117 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.727 9.768 -0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.793 10.260 -2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.266 9.589 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.666 11.218 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.945 9.076 -2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -6.071 9.687 -3.722 1.00 0.00 H new ATOM 244 N ASP A 961 -0.192 7.362 -1.458 1.00 0.00 N ATOM 245 CA ASP A 961 1.154 6.886 -1.741 1.00 0.00 C ATOM 246 C ASP A 961 1.126 5.579 -2.529 1.00 0.00 C ATOM 247 O ASP A 961 1.961 5.356 -3.409 1.00 0.00 O ATOM 248 CB ASP A 961 1.923 6.675 -0.434 1.00 0.00 C ATOM 249 CG ASP A 961 2.267 8.020 0.196 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.129 9.023 -0.486 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.663 8.029 1.350 1.00 0.00 O ATOM 0 H ASP A 961 -0.433 7.387 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 961 1.654 7.643 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.324 6.084 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.836 6.111 -0.627 1.00 0.00 H new ATOM 256 N ILE A 962 0.176 4.706 -2.205 1.00 0.00 N ATOM 257 CA ILE A 962 0.088 3.427 -2.896 1.00 0.00 C ATOM 258 C ILE A 962 -0.348 3.673 -4.337 1.00 0.00 C ATOM 259 O ILE A 962 0.129 3.022 -5.269 1.00 0.00 O ATOM 260 CB ILE A 962 -0.880 2.470 -2.151 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.367 1.029 -2.241 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.288 2.516 -2.762 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.285 0.115 -1.429 1.00 0.00 C ATOM 0 H ILE A 962 -0.529 4.857 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 962 1.064 2.941 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.926 2.796 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.339 0.705 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.653 0.969 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.943 1.835 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.682 3.530 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.240 2.216 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -0.923 -0.911 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -1.290 0.436 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.297 0.168 -1.829 1.00 0.00 H new ATOM 275 N ILE A 963 -1.251 4.630 -4.513 1.00 0.00 N ATOM 276 CA ILE A 963 -1.726 4.957 -5.843 1.00 0.00 C ATOM 277 C ILE A 963 -0.560 5.425 -6.694 1.00 0.00 C ATOM 278 O ILE A 963 -0.411 5.007 -7.842 1.00 0.00 O ATOM 279 CB ILE A 963 -2.801 6.047 -5.771 1.00 0.00 C ATOM 280 CG1 ILE A 963 -4.058 5.444 -5.136 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.109 6.557 -7.180 1.00 0.00 C ATOM 282 CD1 ILE A 963 -5.158 6.502 -4.940 1.00 0.00 C ATOM 0 H ILE A 963 -1.661 5.184 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.168 4.069 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.452 6.886 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.435 4.639 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.803 5.001 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.874 7.332 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.203 6.970 -7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.470 5.732 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -6.034 6.037 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.789 7.293 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.431 6.926 -5.906 1.00 0.00 H new ATOM 294 N ARG A 964 0.285 6.266 -6.116 1.00 0.00 N ATOM 295 CA ARG A 964 1.451 6.747 -6.837 1.00 0.00 C ATOM 296 C ARG A 964 2.328 5.552 -7.204 1.00 0.00 C ATOM 297 O ARG A 964 2.904 5.495 -8.290 1.00 0.00 O ATOM 298 CB ARG A 964 2.250 7.721 -5.969 1.00 0.00 C ATOM 299 CG ARG A 964 3.399 8.314 -6.794 1.00 0.00 C ATOM 300 CD ARG A 964 4.225 9.260 -5.920 1.00 0.00 C ATOM 301 NE ARG A 964 5.185 9.987 -6.742 1.00 0.00 N ATOM 302 CZ ARG A 964 6.249 9.385 -7.261 1.00 0.00 C ATOM 303 NH1 ARG A 964 6.466 8.119 -7.028 1.00 0.00 N ATOM 304 NH2 ARG A 964 7.081 10.064 -8.003 1.00 0.00 N ATOM 0 H ARG A 964 0.187 6.624 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 964 1.129 7.269 -7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.601 8.517 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.645 7.205 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.032 7.515 -7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.002 8.852 -7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 964 3.567 9.962 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.749 8.693 -5.150 1.00 0.00 H new ATOM 0 HE ARG A 964 5.036 10.980 -6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.817 7.589 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 964 7.284 7.660 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 964 6.913 11.054 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 964 7.899 9.605 -8.403 1.00 0.00 H new ATOM 318 N ASP A 965 2.434 4.607 -6.270 1.00 0.00 N ATOM 319 CA ASP A 965 3.255 3.415 -6.474 1.00 0.00 C ATOM 320 C ASP A 965 2.790 2.587 -7.678 1.00 0.00 C ATOM 321 O ASP A 965 3.620 2.115 -8.457 1.00 0.00 O ATOM 322 CB ASP A 965 3.222 2.538 -5.221 1.00 0.00 C ATOM 323 CG ASP A 965 4.308 1.472 -5.305 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.464 1.840 -5.435 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.969 0.301 -5.243 1.00 0.00 O ATOM 0 H ASP A 965 1.962 4.644 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 965 4.271 3.756 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.371 3.152 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.244 2.066 -5.122 1.00 0.00 H new ATOM 330 N TRP A 966 1.478 2.388 -7.826 1.00 0.00 N ATOM 331 CA TRP A 966 0.975 1.587 -8.946 1.00 0.00 C ATOM 332 C TRP A 966 1.031 2.377 -10.250 1.00 0.00 C ATOM 333 O TRP A 966 0.690 1.856 -11.312 1.00 0.00 O ATOM 334 CB TRP A 966 -0.470 1.135 -8.712 1.00 0.00 C ATOM 335 CG TRP A 966 -0.592 0.421 -7.405 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.309 0.869 -6.354 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.012 -0.851 -6.996 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.209 -0.042 -5.324 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.417 -1.120 -5.666 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.818 -1.788 -7.638 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.014 -2.273 -4.997 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.226 -2.954 -6.965 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.811 -3.194 -5.648 1.00 0.00 C ATOM 0 H TRP A 966 0.761 2.759 -7.203 1.00 0.00 H new ATOM 0 HA TRP A 966 1.618 0.709 -9.017 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.134 2.000 -8.724 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.787 0.479 -9.522 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.870 1.791 -6.324 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.665 0.067 -4.418 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.144 -1.611 -8.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.337 -2.454 -3.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 1.863 -3.668 -7.466 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.129 -4.091 -5.136 1.00 0.00 H new ATOM 354 N ARG A 967 1.458 3.634 -10.162 1.00 0.00 N ATOM 355 CA ARG A 967 1.558 4.494 -11.340 1.00 0.00 C ATOM 356 C ARG A 967 0.203 4.644 -12.033 1.00 0.00 C ATOM 357 O ARG A 967 0.130 5.095 -13.176 1.00 0.00 O ATOM 358 CB ARG A 967 2.580 3.919 -12.326 1.00 0.00 C ATOM 359 CG ARG A 967 3.966 3.914 -11.676 1.00 0.00 C ATOM 360 CD ARG A 967 4.982 3.301 -12.640 1.00 0.00 C ATOM 361 NE ARG A 967 4.677 1.891 -12.855 1.00 0.00 N ATOM 362 CZ ARG A 967 4.875 0.992 -11.897 1.00 0.00 C ATOM 363 NH1 ARG A 967 5.377 1.362 -10.751 1.00 0.00 N ATOM 364 NH2 ARG A 967 4.576 -0.261 -12.104 1.00 0.00 N ATOM 0 H ARG A 967 1.740 4.080 -9.289 1.00 0.00 H new ATOM 0 HA ARG A 967 1.885 5.480 -11.009 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.296 2.906 -12.611 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.596 4.515 -13.239 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.262 4.931 -11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.941 3.344 -10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.962 3.835 -13.590 1.00 0.00 H new ATOM 0 HD3 ARG A 967 5.989 3.406 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 967 4.305 1.590 -13.756 1.00 0.00 H new ATOM 0 HH11 ARG A 967 5.617 2.340 -10.591 1.00 0.00 H new ATOM 0 HH12 ARG A 967 5.529 0.673 -10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 967 4.190 -0.551 -13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 967 4.729 -0.950 -11.368 1.00 0.00 H new ATOM 378 N LYS A 968 -0.873 4.278 -11.333 1.00 0.00 N ATOM 379 CA LYS A 968 -2.223 4.394 -11.894 1.00 0.00 C ATOM 380 C LYS A 968 -3.231 4.740 -10.798 1.00 0.00 C ATOM 381 O LYS A 968 -3.106 4.287 -9.664 1.00 0.00 O ATOM 382 CB LYS A 968 -2.626 3.086 -12.580 1.00 0.00 C ATOM 383 CG LYS A 968 -2.617 1.947 -11.559 1.00 0.00 C ATOM 384 CD LYS A 968 -2.861 0.607 -12.267 1.00 0.00 C ATOM 385 CE LYS A 968 -4.328 0.487 -12.694 1.00 0.00 C ATOM 386 NZ LYS A 968 -4.609 -0.919 -13.101 1.00 0.00 N ATOM 0 H LYS A 968 -0.838 3.902 -10.385 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.221 5.196 -12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.618 3.185 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.937 2.863 -13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -1.661 1.923 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.387 2.116 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -2.214 0.527 -13.140 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.601 -0.216 -11.601 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -4.983 0.778 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.535 1.166 -13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -5.604 -1.004 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -3.992 -1.180 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -4.427 -1.556 -12.299 1.00 0.00 H new ATOM 400 N GLU A 969 -4.218 5.559 -11.154 1.00 0.00 N ATOM 401 CA GLU A 969 -5.240 5.992 -10.201 1.00 0.00 C ATOM 402 C GLU A 969 -6.090 4.829 -9.695 1.00 0.00 C ATOM 403 O GLU A 969 -6.521 3.974 -10.468 1.00 0.00 O ATOM 404 CB GLU A 969 -6.149 7.038 -10.856 1.00 0.00 C ATOM 405 CG GLU A 969 -6.624 6.531 -12.222 1.00 0.00 C ATOM 406 CD GLU A 969 -7.587 7.537 -12.839 1.00 0.00 C ATOM 407 OE1 GLU A 969 -7.347 8.724 -12.695 1.00 0.00 O ATOM 408 OE2 GLU A 969 -8.556 7.106 -13.442 1.00 0.00 O ATOM 0 H GLU A 969 -4.333 5.937 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.722 6.422 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -7.007 7.240 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -5.610 7.978 -10.974 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -5.769 6.380 -12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.115 5.564 -12.111 1.00 0.00 H new ATOM 415 N MET A 970 -6.346 4.823 -8.382 1.00 0.00 N ATOM 416 CA MET A 970 -7.170 3.785 -7.755 1.00 0.00 C ATOM 417 C MET A 970 -8.098 4.416 -6.720 1.00 0.00 C ATOM 418 O MET A 970 -8.080 5.630 -6.509 1.00 0.00 O ATOM 419 CB MET A 970 -6.303 2.721 -7.059 1.00 0.00 C ATOM 420 CG MET A 970 -5.013 2.484 -7.837 1.00 0.00 C ATOM 421 SD MET A 970 -4.326 0.876 -7.360 1.00 0.00 S ATOM 422 CE MET A 970 -4.333 1.152 -5.568 1.00 0.00 C ATOM 0 H MET A 970 -5.994 5.526 -7.733 1.00 0.00 H new ATOM 0 HA MET A 970 -7.750 3.303 -8.542 1.00 0.00 H new ATOM 0 HB2 MET A 970 -6.068 3.043 -6.045 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.860 1.788 -6.976 1.00 0.00 H new ATOM 0 HG2 MET A 970 -5.210 2.507 -8.909 1.00 0.00 H new ATOM 0 HG3 MET A 970 -4.296 3.277 -7.628 1.00 0.00 H new ATOM 0 HE1 MET A 970 -3.738 0.381 -5.079 1.00 0.00 H new ATOM 0 HE2 MET A 970 -3.908 2.132 -5.349 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.357 1.110 -5.197 1.00 0.00 H new ATOM 432 N THR A 971 -8.900 3.577 -6.071 1.00 0.00 N ATOM 433 CA THR A 971 -9.838 4.041 -5.044 1.00 0.00 C ATOM 434 C THR A 971 -9.520 3.402 -3.695 1.00 0.00 C ATOM 435 O THR A 971 -8.793 2.410 -3.616 1.00 0.00 O ATOM 436 CB THR A 971 -11.268 3.688 -5.449 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.337 2.309 -5.779 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.680 4.527 -6.659 1.00 0.00 C ATOM 0 H THR A 971 -8.922 2.571 -6.236 1.00 0.00 H new ATOM 0 HA THR A 971 -9.739 5.123 -4.953 1.00 0.00 H new ATOM 0 HB THR A 971 -11.944 3.897 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.257 2.077 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.700 4.274 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.627 5.585 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.007 4.321 -7.491 1.00 0.00 H new ATOM 446 N VAL A 972 -10.083 3.975 -2.637 1.00 0.00 N ATOM 447 CA VAL A 972 -9.880 3.463 -1.288 1.00 0.00 C ATOM 448 C VAL A 972 -10.470 2.055 -1.160 1.00 0.00 C ATOM 449 O VAL A 972 -9.869 1.171 -0.549 1.00 0.00 O ATOM 450 CB VAL A 972 -10.551 4.417 -0.277 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.735 3.715 1.088 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.669 5.663 -0.102 1.00 0.00 C ATOM 0 H VAL A 972 -10.685 4.797 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.812 3.407 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.532 4.705 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.209 4.402 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.363 2.833 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.762 3.414 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.136 6.342 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.688 5.365 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.556 6.166 -1.062 1.00 0.00 H new ATOM 462 N GLN A 973 -11.655 1.862 -1.725 1.00 0.00 N ATOM 463 CA GLN A 973 -12.330 0.572 -1.656 1.00 0.00 C ATOM 464 C GLN A 973 -11.427 -0.547 -2.180 1.00 0.00 C ATOM 465 O GLN A 973 -11.273 -1.586 -1.535 1.00 0.00 O ATOM 466 CB GLN A 973 -13.607 0.636 -2.500 1.00 0.00 C ATOM 467 CG GLN A 973 -14.703 1.387 -1.735 1.00 0.00 C ATOM 468 CD GLN A 973 -14.300 2.847 -1.557 1.00 0.00 C ATOM 469 OE1 GLN A 973 -13.753 3.458 -2.475 1.00 0.00 O ATOM 470 NE2 GLN A 973 -14.538 3.449 -0.424 1.00 0.00 N ATOM 0 H GLN A 973 -12.168 2.581 -2.235 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.573 0.356 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.403 1.138 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.945 -0.372 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -15.646 1.324 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.863 0.923 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -14.991 2.943 0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -14.271 4.425 -0.299 1.00 0.00 H new ATOM 479 N GLN A 974 -10.833 -0.330 -3.344 1.00 0.00 N ATOM 480 CA GLN A 974 -9.948 -1.329 -3.934 1.00 0.00 C ATOM 481 C GLN A 974 -8.774 -1.601 -2.998 1.00 0.00 C ATOM 482 O GLN A 974 -8.378 -2.750 -2.800 1.00 0.00 O ATOM 483 CB GLN A 974 -9.447 -0.834 -5.300 1.00 0.00 C ATOM 484 CG GLN A 974 -10.511 -1.077 -6.385 1.00 0.00 C ATOM 485 CD GLN A 974 -11.908 -0.705 -5.881 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.531 0.314 -6.406 1.00 0.00 O flip ATOM 487 NE2 GLN A 974 -12.445 -1.364 -4.992 1.00 0.00 N flip ATOM 0 H GLN A 974 -10.945 0.520 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.497 -2.259 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.212 0.229 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.525 -1.351 -5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -10.272 -0.489 -7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.496 -2.125 -6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.957 -2.161 -4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.378 -1.114 -4.665 1.00 0.00 H new ATOM 496 N PHE A 975 -8.239 -0.542 -2.403 1.00 0.00 N ATOM 497 CA PHE A 975 -7.130 -0.684 -1.466 1.00 0.00 C ATOM 498 C PHE A 975 -7.554 -1.548 -0.278 1.00 0.00 C ATOM 499 O PHE A 975 -6.807 -2.419 0.165 1.00 0.00 O ATOM 500 CB PHE A 975 -6.671 0.699 -0.983 1.00 0.00 C ATOM 501 CG PHE A 975 -5.711 0.551 0.179 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.516 -0.156 0.013 1.00 0.00 C ATOM 503 CD2 PHE A 975 -6.021 1.116 1.425 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.629 -0.296 1.086 1.00 0.00 C ATOM 505 CE2 PHE A 975 -5.133 0.975 2.499 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.937 0.267 2.329 1.00 0.00 C ATOM 0 H PHE A 975 -8.551 0.418 -2.550 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.297 -1.172 -1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.187 1.236 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.534 1.292 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.277 -0.595 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.945 1.660 1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.705 -0.840 0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.371 1.412 3.458 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.253 0.156 3.157 1.00 0.00 H new ATOM 516 N LEU A 976 -8.754 -1.293 0.230 1.00 0.00 N ATOM 517 CA LEU A 976 -9.275 -2.037 1.364 1.00 0.00 C ATOM 518 C LEU A 976 -9.337 -3.523 1.003 1.00 0.00 C ATOM 519 O LEU A 976 -9.010 -4.398 1.804 1.00 0.00 O ATOM 520 CB LEU A 976 -10.690 -1.509 1.679 1.00 0.00 C ATOM 521 CG LEU A 976 -11.103 -1.751 3.142 1.00 0.00 C ATOM 522 CD1 LEU A 976 -10.646 -3.124 3.638 1.00 0.00 C ATOM 523 CD2 LEU A 976 -10.519 -0.649 4.031 1.00 0.00 C ATOM 0 H LEU A 976 -9.383 -0.575 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.632 -1.912 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.730 -0.441 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.409 -1.993 1.018 1.00 0.00 H new ATOM 0 HG LEU A 976 -12.191 -1.727 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -10.956 -3.258 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -11.096 -3.902 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.560 -3.192 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -10.813 -0.823 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -9.432 -0.659 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -10.896 0.320 3.704 1.00 0.00 H new ATOM 535 N ASP A 977 -9.773 -3.799 -0.211 1.00 0.00 N ATOM 536 CA ASP A 977 -9.873 -5.178 -0.667 1.00 0.00 C ATOM 537 C ASP A 977 -8.484 -5.816 -0.745 1.00 0.00 C ATOM 538 O ASP A 977 -8.299 -6.972 -0.363 1.00 0.00 O ATOM 539 CB ASP A 977 -10.538 -5.227 -2.044 1.00 0.00 C ATOM 540 CG ASP A 977 -10.629 -6.671 -2.524 1.00 0.00 C ATOM 541 OD1 ASP A 977 -11.293 -7.453 -1.864 1.00 0.00 O ATOM 542 OD2 ASP A 977 -10.033 -6.974 -3.546 1.00 0.00 O ATOM 0 H ASP A 977 -10.061 -3.099 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.479 -5.736 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.534 -4.788 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.965 -4.633 -2.756 1.00 0.00 H new ATOM 547 N LEU A 978 -7.515 -5.055 -1.257 1.00 0.00 N ATOM 548 CA LEU A 978 -6.150 -5.554 -1.399 1.00 0.00 C ATOM 549 C LEU A 978 -5.516 -5.882 -0.050 1.00 0.00 C ATOM 550 O LEU A 978 -4.941 -6.953 0.125 1.00 0.00 O ATOM 551 CB LEU A 978 -5.304 -4.501 -2.126 1.00 0.00 C ATOM 552 CG LEU A 978 -3.825 -4.919 -2.168 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.679 -6.303 -2.805 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.049 -3.894 -3.001 1.00 0.00 C ATOM 0 H LEU A 978 -7.651 -4.096 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.187 -6.478 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.677 -4.367 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.400 -3.540 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.433 -4.959 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.626 -6.584 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.237 -7.034 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.069 -6.278 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.997 -4.178 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.454 -3.865 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.142 -2.909 -2.545 1.00 0.00 H new ATOM 566 N LYS A 979 -5.613 -4.958 0.898 1.00 0.00 N ATOM 567 CA LYS A 979 -5.026 -5.180 2.212 1.00 0.00 C ATOM 568 C LYS A 979 -5.740 -6.316 2.929 1.00 0.00 C ATOM 569 O LYS A 979 -5.123 -7.088 3.644 1.00 0.00 O ATOM 570 CB LYS A 979 -5.080 -3.892 3.048 1.00 0.00 C ATOM 571 CG LYS A 979 -6.507 -3.598 3.475 1.00 0.00 C ATOM 572 CD LYS A 979 -6.566 -2.233 4.164 1.00 0.00 C ATOM 573 CE LYS A 979 -5.846 -2.280 5.520 1.00 0.00 C ATOM 574 NZ LYS A 979 -4.385 -2.069 5.318 1.00 0.00 N ATOM 0 H LYS A 979 -6.085 -4.061 0.784 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.981 -5.461 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.444 -3.995 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.688 -3.057 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.166 -3.607 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.862 -4.374 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -6.105 -1.478 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.605 -1.937 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -6.246 -1.512 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -6.021 -3.241 6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -3.878 -2.961 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -4.211 -1.755 4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -4.044 -1.343 5.981 1.00 0.00 H new ATOM 588 N GLU A 980 -7.041 -6.424 2.731 1.00 0.00 N ATOM 589 CA GLU A 980 -7.796 -7.487 3.379 1.00 0.00 C ATOM 590 C GLU A 980 -7.316 -8.856 2.900 1.00 0.00 C ATOM 591 O GLU A 980 -6.958 -9.717 3.707 1.00 0.00 O ATOM 592 CB GLU A 980 -9.290 -7.325 3.078 1.00 0.00 C ATOM 593 CG GLU A 980 -10.083 -8.409 3.812 1.00 0.00 C ATOM 594 CD GLU A 980 -11.578 -8.187 3.611 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.930 -7.440 2.713 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.347 -8.759 4.366 1.00 0.00 O ATOM 0 H GLU A 980 -7.591 -5.802 2.138 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.636 -7.419 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.629 -6.338 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.465 -7.397 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.800 -9.393 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.844 -8.389 4.875 1.00 0.00 H new ATOM 603 N ARG A 981 -7.305 -9.051 1.586 1.00 0.00 N ATOM 604 CA ARG A 981 -6.871 -10.325 1.021 1.00 0.00 C ATOM 605 C ARG A 981 -5.419 -10.631 1.391 1.00 0.00 C ATOM 606 O ARG A 981 -5.096 -11.748 1.792 1.00 0.00 O ATOM 607 CB ARG A 981 -6.987 -10.275 -0.507 1.00 0.00 C ATOM 608 CG ARG A 981 -8.458 -10.157 -0.934 1.00 0.00 C ATOM 609 CD ARG A 981 -9.230 -11.440 -0.595 1.00 0.00 C ATOM 610 NE ARG A 981 -10.389 -11.566 -1.475 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.274 -12.086 -2.693 1.00 0.00 C ATOM 612 NH1 ARG A 981 -9.111 -12.498 -3.122 1.00 0.00 N ATOM 613 NH2 ARG A 981 -11.324 -12.182 -3.463 1.00 0.00 N ATOM 0 H ARG A 981 -7.588 -8.353 0.898 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.511 -11.108 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.422 -9.427 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.548 -11.174 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.920 -9.306 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.516 -9.965 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.580 -12.307 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -9.553 -11.417 0.446 1.00 0.00 H new ATOM 0 HE ARG A 981 -11.302 -11.250 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.290 -12.421 -2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -9.024 -12.897 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.232 -11.858 -3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -11.236 -12.581 -4.398 1.00 0.00 H new ATOM 627 N ALA A 982 -4.550 -9.637 1.246 1.00 0.00 N ATOM 628 CA ALA A 982 -3.134 -9.827 1.556 1.00 0.00 C ATOM 629 C ALA A 982 -2.935 -10.183 3.024 1.00 0.00 C ATOM 630 O ALA A 982 -2.199 -11.112 3.356 1.00 0.00 O ATOM 631 CB ALA A 982 -2.357 -8.546 1.219 1.00 0.00 C ATOM 0 H ALA A 982 -4.794 -8.702 0.920 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.758 -10.654 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.302 -8.689 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.469 -8.321 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.749 -7.717 1.809 1.00 0.00 H new ATOM 637 N LEU A 983 -3.584 -9.428 3.900 1.00 0.00 N ATOM 638 CA LEU A 983 -3.459 -9.660 5.325 1.00 0.00 C ATOM 639 C LEU A 983 -3.994 -11.042 5.655 1.00 0.00 C ATOM 640 O LEU A 983 -3.590 -11.668 6.637 1.00 0.00 O ATOM 641 CB LEU A 983 -4.221 -8.584 6.118 1.00 0.00 C ATOM 642 CG LEU A 983 -3.352 -7.314 6.325 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.442 -7.034 5.113 1.00 0.00 C ATOM 644 CD2 LEU A 983 -4.272 -6.106 6.568 1.00 0.00 C ATOM 0 H LEU A 983 -4.199 -8.654 3.647 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.408 -9.603 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -5.136 -8.319 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.518 -8.986 7.087 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.709 -7.483 7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.852 -6.137 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.774 -7.881 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.055 -6.886 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -3.667 -5.211 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.924 -5.966 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.878 -6.283 7.457 1.00 0.00 H new ATOM 656 N SER A 984 -4.910 -11.505 4.820 1.00 0.00 N ATOM 657 CA SER A 984 -5.516 -12.818 5.015 1.00 0.00 C ATOM 658 C SER A 984 -4.569 -13.922 4.549 1.00 0.00 C ATOM 659 O SER A 984 -4.863 -15.108 4.706 1.00 0.00 O ATOM 660 CB SER A 984 -6.832 -12.920 4.245 1.00 0.00 C ATOM 661 OG SER A 984 -7.647 -11.796 4.552 1.00 0.00 O ATOM 0 H SER A 984 -5.251 -10.997 4.004 1.00 0.00 H new ATOM 0 HA SER A 984 -5.713 -12.943 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 984 -6.637 -12.960 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.350 -13.842 4.509 1.00 0.00 H new ATOM 0 HG SER A 984 -7.417 -11.053 3.956 1.00 0.00 H new ATOM 667 N GLY A 985 -3.418 -13.530 4.000 1.00 0.00 N ATOM 668 CA GLY A 985 -2.421 -14.501 3.545 1.00 0.00 C ATOM 669 C GLY A 985 -2.644 -14.926 2.095 1.00 0.00 C ATOM 670 O GLY A 985 -2.257 -16.028 1.703 1.00 0.00 O ATOM 0 H GLY A 985 -3.154 -12.555 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.425 -14.070 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.454 -15.380 4.188 1.00 0.00 H new ATOM 674 N ALA A 986 -3.252 -14.054 1.298 1.00 0.00 N ATOM 675 CA ALA A 986 -3.494 -14.373 -0.105 1.00 0.00 C ATOM 676 C ALA A 986 -2.179 -14.469 -0.858 1.00 0.00 C ATOM 677 O ALA A 986 -1.239 -13.723 -0.581 1.00 0.00 O ATOM 678 CB ALA A 986 -4.360 -13.303 -0.758 1.00 0.00 C ATOM 0 H ALA A 986 -3.582 -13.135 1.593 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.012 -15.331 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.529 -13.560 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.317 -13.244 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.855 -12.339 -0.698 1.00 0.00 H new ATOM 684 N SER A 987 -2.116 -15.387 -1.814 1.00 0.00 N ATOM 685 CA SER A 987 -0.906 -15.566 -2.602 1.00 0.00 C ATOM 686 C SER A 987 -0.941 -14.698 -3.854 1.00 0.00 C ATOM 687 O SER A 987 0.054 -14.583 -4.568 1.00 0.00 O ATOM 688 CB SER A 987 -0.756 -17.032 -3.007 1.00 0.00 C ATOM 689 OG SER A 987 -0.614 -17.832 -1.840 1.00 0.00 O ATOM 0 H SER A 987 -2.882 -16.014 -2.060 1.00 0.00 H new ATOM 0 HA SER A 987 -0.056 -15.266 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 987 -1.627 -17.354 -3.578 1.00 0.00 H new ATOM 0 HB3 SER A 987 0.113 -17.155 -3.654 1.00 0.00 H new ATOM 0 HG SER A 987 -0.519 -18.773 -2.098 1.00 0.00 H new ATOM 695 N ASP A 988 -2.095 -14.088 -4.116 1.00 0.00 N ATOM 696 CA ASP A 988 -2.247 -13.231 -5.291 1.00 0.00 C ATOM 697 C ASP A 988 -0.993 -12.375 -5.498 1.00 0.00 C ATOM 698 O ASP A 988 -0.325 -12.019 -4.528 1.00 0.00 O ATOM 699 CB ASP A 988 -3.467 -12.324 -5.110 1.00 0.00 C ATOM 700 CG ASP A 988 -4.748 -13.132 -5.277 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.737 -14.301 -4.928 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.724 -12.570 -5.749 1.00 0.00 O ATOM 0 H ASP A 988 -2.931 -14.169 -3.537 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.387 -13.862 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.444 -11.863 -4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.440 -11.515 -5.840 1.00 0.00 H new ATOM 707 N PRO A 989 -0.653 -12.037 -6.721 1.00 0.00 N ATOM 708 CA PRO A 989 0.559 -11.210 -7.008 1.00 0.00 C ATOM 709 C PRO A 989 0.472 -9.846 -6.333 1.00 0.00 C ATOM 710 O PRO A 989 1.484 -9.258 -5.949 1.00 0.00 O ATOM 711 CB PRO A 989 0.565 -11.082 -8.547 1.00 0.00 C ATOM 712 CG PRO A 989 -0.839 -11.379 -8.968 1.00 0.00 C ATOM 713 CD PRO A 989 -1.376 -12.385 -7.956 1.00 0.00 C ATOM 0 HA PRO A 989 1.475 -11.660 -6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.867 -10.082 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.268 -11.782 -8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.444 -10.472 -8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.865 -11.789 -9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.455 -12.293 -7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.177 -13.412 -8.264 1.00 0.00 H new ATOM 721 N ASP A 990 -0.748 -9.354 -6.191 1.00 0.00 N ATOM 722 CA ASP A 990 -0.972 -8.063 -5.561 1.00 0.00 C ATOM 723 C ASP A 990 -0.682 -8.131 -4.062 1.00 0.00 C ATOM 724 O ASP A 990 -0.260 -7.146 -3.462 1.00 0.00 O ATOM 725 CB ASP A 990 -2.418 -7.622 -5.791 1.00 0.00 C ATOM 726 CG ASP A 990 -2.731 -7.616 -7.283 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.800 -7.519 -8.064 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.901 -7.706 -7.622 1.00 0.00 O ATOM 0 H ASP A 990 -1.596 -9.827 -6.502 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.293 -7.337 -6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -3.099 -8.296 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.574 -6.627 -5.374 1.00 0.00 H new ATOM 733 N SER A 991 -0.921 -9.296 -3.459 1.00 0.00 N ATOM 734 CA SER A 991 -0.688 -9.462 -2.029 1.00 0.00 C ATOM 735 C SER A 991 0.802 -9.478 -1.710 1.00 0.00 C ATOM 736 O SER A 991 1.268 -8.733 -0.846 1.00 0.00 O ATOM 737 CB SER A 991 -1.334 -10.757 -1.542 1.00 0.00 C ATOM 738 OG SER A 991 -0.771 -11.124 -0.289 1.00 0.00 O ATOM 0 H SER A 991 -1.272 -10.128 -3.934 1.00 0.00 H new ATOM 0 HA SER A 991 -1.138 -8.613 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.411 -10.624 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.176 -11.552 -2.271 1.00 0.00 H new ATOM 0 HG SER A 991 -0.602 -12.089 -0.276 1.00 0.00 H new ATOM 744 N GLN A 992 1.550 -10.325 -2.410 1.00 0.00 N ATOM 745 CA GLN A 992 2.985 -10.411 -2.179 1.00 0.00 C ATOM 746 C GLN A 992 3.652 -9.090 -2.563 1.00 0.00 C ATOM 747 O GLN A 992 4.527 -8.594 -1.854 1.00 0.00 O ATOM 748 CB GLN A 992 3.593 -11.583 -2.979 1.00 0.00 C ATOM 749 CG GLN A 992 2.722 -11.899 -4.199 1.00 0.00 C ATOM 750 CD GLN A 992 3.514 -12.717 -5.213 1.00 0.00 C ATOM 751 OE1 GLN A 992 3.828 -12.189 -6.364 1.00 0.00 O flip ATOM 752 NE2 GLN A 992 3.860 -13.868 -4.948 1.00 0.00 N flip ATOM 0 H GLN A 992 1.192 -10.952 -3.131 1.00 0.00 H new ATOM 0 HA GLN A 992 3.162 -10.598 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.603 -11.328 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.674 -12.464 -2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.835 -12.451 -3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.376 -10.973 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 992 3.614 -14.280 -4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 992 4.393 -14.410 -5.628 1.00 0.00 H new ATOM 761 N ARG A 993 3.214 -8.516 -3.678 1.00 0.00 N ATOM 762 CA ARG A 993 3.761 -7.243 -4.125 1.00 0.00 C ATOM 763 C ARG A 993 3.435 -6.160 -3.106 1.00 0.00 C ATOM 764 O ARG A 993 4.255 -5.291 -2.822 1.00 0.00 O ATOM 765 CB ARG A 993 3.176 -6.872 -5.494 1.00 0.00 C ATOM 766 CG ARG A 993 3.782 -7.780 -6.596 1.00 0.00 C ATOM 767 CD ARG A 993 4.884 -7.034 -7.359 1.00 0.00 C ATOM 768 NE ARG A 993 5.965 -6.658 -6.455 1.00 0.00 N ATOM 769 CZ ARG A 993 6.848 -5.725 -6.792 1.00 0.00 C ATOM 770 NH1 ARG A 993 6.744 -5.109 -7.937 1.00 0.00 N ATOM 771 NH2 ARG A 993 7.817 -5.417 -5.973 1.00 0.00 N ATOM 0 H ARG A 993 2.491 -8.907 -4.282 1.00 0.00 H new ATOM 0 HA ARG A 993 4.843 -7.331 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.092 -6.982 -5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.387 -5.826 -5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.191 -8.685 -6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.000 -8.094 -7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.273 -7.665 -8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 993 4.469 -6.143 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 993 6.044 -7.119 -5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 993 5.984 -5.344 -8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 993 7.423 -4.393 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 993 7.896 -5.893 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 993 8.495 -4.700 -6.232 1.00 0.00 H new ATOM 785 N TYR A 994 2.231 -6.233 -2.548 1.00 0.00 N ATOM 786 CA TYR A 994 1.809 -5.265 -1.546 1.00 0.00 C ATOM 787 C TYR A 994 2.720 -5.343 -0.328 1.00 0.00 C ATOM 788 O TYR A 994 3.168 -4.322 0.198 1.00 0.00 O ATOM 789 CB TYR A 994 0.355 -5.535 -1.141 1.00 0.00 C ATOM 790 CG TYR A 994 -0.037 -4.647 0.024 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.028 -3.255 -0.103 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.477 -5.214 1.231 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.341 -2.431 0.968 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.844 -4.393 2.302 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.776 -3.002 2.172 1.00 0.00 C ATOM 796 OH TYR A 994 -1.142 -2.190 3.227 1.00 0.00 O ATOM 0 H TYR A 994 1.537 -6.946 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 994 1.877 -4.262 -1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.306 -5.350 -1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.235 -6.583 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.364 -2.814 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.532 -6.288 1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.290 -1.357 0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.180 -4.833 3.229 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.420 -2.745 3.986 1.00 0.00 H new ATOM 806 N ASN A 995 3.004 -6.564 0.111 1.00 0.00 N ATOM 807 CA ASN A 995 3.876 -6.755 1.260 1.00 0.00 C ATOM 808 C ASN A 995 5.246 -6.168 0.948 1.00 0.00 C ATOM 809 O ASN A 995 5.855 -5.500 1.787 1.00 0.00 O ATOM 810 CB ASN A 995 4.012 -8.249 1.578 1.00 0.00 C ATOM 811 CG ASN A 995 2.778 -8.746 2.314 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.769 -7.943 2.490 1.00 0.00 O flip ATOM 813 ND2 ASN A 995 2.726 -9.904 2.729 1.00 0.00 N flip ATOM 0 H ASN A 995 2.648 -7.424 -0.305 1.00 0.00 H new ATOM 0 HA ASN A 995 3.448 -6.251 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.145 -8.814 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.900 -8.419 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 995 3.518 -10.532 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 995 1.891 -10.236 3.212 1.00 0.00 H new ATOM 820 N ALA A 996 5.719 -6.402 -0.272 1.00 0.00 N ATOM 821 CA ALA A 996 7.006 -5.866 -0.678 1.00 0.00 C ATOM 822 C ALA A 996 6.952 -4.351 -0.695 1.00 0.00 C ATOM 823 O ALA A 996 7.864 -3.687 -0.231 1.00 0.00 O ATOM 824 CB ALA A 996 7.374 -6.346 -2.074 1.00 0.00 C ATOM 0 H ALA A 996 5.237 -6.951 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 996 7.754 -6.212 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.342 -5.932 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.428 -7.435 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.616 -6.015 -2.784 1.00 0.00 H new ATOM 830 N TRP A 997 5.873 -3.802 -1.231 1.00 0.00 N ATOM 831 CA TRP A 997 5.748 -2.358 -1.290 1.00 0.00 C ATOM 832 C TRP A 997 5.950 -1.794 0.107 1.00 0.00 C ATOM 833 O TRP A 997 6.650 -0.797 0.296 1.00 0.00 O ATOM 834 CB TRP A 997 4.368 -1.962 -1.822 1.00 0.00 C ATOM 835 CG TRP A 997 4.227 -0.473 -1.787 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.946 0.389 -2.542 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.323 0.341 -0.982 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.545 1.680 -2.249 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.546 1.703 -1.296 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.342 0.033 -0.020 1.00 0.00 C ATOM 841 CZ2 TRP A 997 2.823 2.721 -0.678 1.00 0.00 C ATOM 842 CZ3 TRP A 997 1.612 1.060 0.603 1.00 0.00 C ATOM 843 CH2 TRP A 997 1.852 2.401 0.274 1.00 0.00 C ATOM 0 H TRP A 997 5.088 -4.322 -1.623 1.00 0.00 H new ATOM 0 HA TRP A 997 6.501 -1.954 -1.966 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.242 -2.326 -2.842 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.587 -2.426 -1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.708 0.114 -3.256 1.00 0.00 H new ATOM 0 HE1 TRP A 997 4.939 2.514 -2.684 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.150 -0.997 0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.012 3.753 -0.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 0.862 0.814 1.340 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.287 3.186 0.756 1.00 0.00 H new ATOM 854 N LEU A 998 5.365 -2.466 1.089 1.00 0.00 N ATOM 855 CA LEU A 998 5.519 -2.054 2.473 1.00 0.00 C ATOM 856 C LEU A 998 6.986 -2.182 2.868 1.00 0.00 C ATOM 857 O LEU A 998 7.517 -1.344 3.594 1.00 0.00 O ATOM 858 CB LEU A 998 4.626 -2.904 3.389 1.00 0.00 C ATOM 859 CG LEU A 998 3.164 -2.441 3.257 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.238 -3.497 3.868 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.948 -1.093 3.975 1.00 0.00 C ATOM 0 H LEU A 998 4.784 -3.293 0.952 1.00 0.00 H new ATOM 0 HA LEU A 998 5.209 -1.015 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.710 -3.957 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.956 -2.811 4.424 1.00 0.00 H new ATOM 0 HG LEU A 998 2.936 -2.311 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.202 -3.170 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.368 -4.443 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.483 -3.630 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.908 -0.786 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.187 -1.202 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.596 -0.337 3.532 1.00 0.00 H new ATOM 873 N GLU A 999 7.640 -3.231 2.371 1.00 0.00 N ATOM 874 CA GLU A 999 9.055 -3.444 2.664 1.00 0.00 C ATOM 875 C GLU A 999 9.890 -2.298 2.081 1.00 0.00 C ATOM 876 O GLU A 999 10.823 -1.799 2.721 1.00 0.00 O ATOM 877 CB GLU A 999 9.519 -4.793 2.091 1.00 0.00 C ATOM 878 CG GLU A 999 10.994 -5.024 2.432 1.00 0.00 C ATOM 879 CD GLU A 999 11.446 -6.379 1.896 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.731 -6.940 1.083 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.496 -6.837 2.311 1.00 0.00 O ATOM 0 H GLU A 999 7.218 -3.939 1.770 1.00 0.00 H new ATOM 0 HA GLU A 999 9.194 -3.462 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.911 -5.600 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.380 -4.806 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.604 -4.231 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.137 -4.984 3.512 1.00 0.00 H new ATOM 888 N LEU A1000 9.533 -1.865 0.869 1.00 0.00 N ATOM 889 CA LEU A1000 10.247 -0.768 0.227 1.00 0.00 C ATOM 890 C LEU A1000 10.106 0.470 1.104 1.00 0.00 C ATOM 891 O LEU A1000 11.054 1.218 1.336 1.00 0.00 O ATOM 892 CB LEU A1000 9.641 -0.461 -1.152 1.00 0.00 C ATOM 893 CG LEU A1000 9.736 -1.679 -2.084 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.169 -1.310 -3.458 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.189 -2.141 -2.238 1.00 0.00 C ATOM 0 H LEU A1000 8.764 -2.253 0.322 1.00 0.00 H new ATOM 0 HA LEU A1000 11.293 -1.046 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.597 -0.169 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.161 0.385 -1.601 1.00 0.00 H new ATOM 0 HG LEU A1000 9.160 -2.495 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.235 -2.172 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.126 -1.012 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.742 -0.484 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.228 -3.004 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A1000 11.785 -1.332 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.589 -2.416 -1.262 1.00 0.00 H new ATOM 907 N ARG A1001 8.907 0.668 1.610 1.00 0.00 N ATOM 908 CA ARG A1001 8.648 1.792 2.483 1.00 0.00 C ATOM 909 C ARG A1001 9.429 1.662 3.776 1.00 0.00 C ATOM 910 O ARG A1001 10.011 2.628 4.271 1.00 0.00 O ATOM 911 CB ARG A1001 7.158 1.849 2.784 1.00 0.00 C ATOM 912 CG ARG A1001 6.885 2.897 3.857 1.00 0.00 C ATOM 913 CD ARG A1001 5.380 3.139 3.957 1.00 0.00 C ATOM 914 NE ARG A1001 5.095 4.199 4.918 1.00 0.00 N ATOM 915 CZ ARG A1001 3.851 4.619 5.123 1.00 0.00 C ATOM 916 NH1 ARG A1001 2.867 4.097 4.443 1.00 0.00 N ATOM 917 NH2 ARG A1001 3.612 5.556 5.999 1.00 0.00 N ATOM 0 H ARG A1001 8.101 0.069 1.433 1.00 0.00 H new ATOM 0 HA ARG A1001 8.965 2.709 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.604 2.092 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.808 0.873 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.275 2.560 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.399 3.827 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.984 3.411 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.877 2.221 4.260 1.00 0.00 H new ATOM 0 HE ARG A1001 5.861 4.624 5.440 1.00 0.00 H new ATOM 0 HH11 ARG A1001 3.053 3.367 3.755 1.00 0.00 H new ATOM 0 HH12 ARG A1001 1.912 4.419 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.381 5.968 6.528 1.00 0.00 H new ATOM 0 HH22 ARG A1001 2.656 5.877 6.155 1.00 0.00 H new ATOM 931 N ALA A1002 9.412 0.464 4.322 1.00 0.00 N ATOM 932 CA ALA A1002 10.092 0.197 5.571 1.00 0.00 C ATOM 933 C ALA A1002 11.556 0.595 5.481 1.00 0.00 C ATOM 934 O ALA A1002 12.132 1.075 6.456 1.00 0.00 O ATOM 935 CB ALA A1002 9.982 -1.288 5.922 1.00 0.00 C ATOM 0 H ALA A1002 8.933 -0.342 3.919 1.00 0.00 H new ATOM 0 HA ALA A1002 9.616 0.789 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.497 -1.478 6.864 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.932 -1.562 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.439 -1.883 5.132 1.00 0.00 H new ATOM 941 N LYS A1003 12.164 0.414 4.307 1.00 0.00 N ATOM 942 CA LYS A1003 13.575 0.797 4.158 1.00 0.00 C ATOM 943 C LYS A1003 13.695 2.305 3.958 1.00 0.00 C ATOM 944 O LYS A1003 14.657 2.923 4.413 1.00 0.00 O ATOM 945 CB LYS A1003 14.297 0.037 3.021 1.00 0.00 C ATOM 946 CG LYS A1003 13.754 0.418 1.643 1.00 0.00 C ATOM 947 CD LYS A1003 14.738 -0.029 0.560 1.00 0.00 C ATOM 948 CE LYS A1003 14.216 0.411 -0.806 1.00 0.00 C ATOM 949 NZ LYS A1003 15.180 0.000 -1.866 1.00 0.00 N ATOM 0 H LYS A1003 11.726 0.021 3.474 1.00 0.00 H new ATOM 0 HA LYS A1003 14.076 0.511 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A1003 15.365 0.252 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A1003 14.182 -1.036 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A1003 12.783 -0.050 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.601 1.496 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A1003 15.721 0.405 0.744 1.00 0.00 H new ATOM 0 HD3 LYS A1003 14.858 -1.112 0.585 1.00 0.00 H new ATOM 0 HE2 LYS A1003 13.240 -0.036 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A1003 14.080 1.492 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 14.823 0.300 -2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 16.102 0.447 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.288 -1.034 -1.855 1.00 0.00 H new ATOM 963 N ARG A1004 12.708 2.898 3.280 1.00 0.00 N ATOM 964 CA ARG A1004 12.734 4.337 3.042 1.00 0.00 C ATOM 965 C ARG A1004 12.742 5.076 4.376 1.00 0.00 C ATOM 966 O ARG A1004 13.439 6.077 4.542 1.00 0.00 O ATOM 967 CB ARG A1004 11.499 4.769 2.234 1.00 0.00 C ATOM 968 CG ARG A1004 11.578 4.237 0.793 1.00 0.00 C ATOM 969 CD ARG A1004 12.441 5.159 -0.078 1.00 0.00 C ATOM 970 NE ARG A1004 12.458 4.673 -1.455 1.00 0.00 N ATOM 971 CZ ARG A1004 13.091 5.345 -2.411 1.00 0.00 C ATOM 972 NH1 ARG A1004 13.705 6.461 -2.127 1.00 0.00 N ATOM 973 NH2 ARG A1004 13.103 4.887 -3.632 1.00 0.00 N ATOM 0 H ARG A1004 11.898 2.412 2.895 1.00 0.00 H new ATOM 0 HA ARG A1004 13.634 4.581 2.477 1.00 0.00 H new ATOM 0 HB2 ARG A1004 10.595 4.396 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A1004 11.428 5.857 2.222 1.00 0.00 H new ATOM 0 HG2 ARG A1004 11.998 3.231 0.794 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.575 4.164 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A1004 12.048 6.175 -0.047 1.00 0.00 H new ATOM 0 HD3 ARG A1004 13.457 5.198 0.315 1.00 0.00 H new ATOM 0 HE ARG A1004 11.976 3.804 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A1004 13.699 6.817 -1.171 1.00 0.00 H new ATOM 0 HH12 ARG A1004 14.191 6.977 -2.861 1.00 0.00 H new ATOM 0 HH21 ARG A1004 12.626 4.013 -3.853 1.00 0.00 H new ATOM 0 HH22 ARG A1004 13.589 5.403 -4.365 1.00 0.00 H new ATOM 987 N LEU A1005 11.970 4.561 5.324 1.00 0.00 N ATOM 988 CA LEU A1005 11.890 5.156 6.650 1.00 0.00 C ATOM 989 C LEU A1005 13.252 5.099 7.337 1.00 0.00 C ATOM 990 O LEU A1005 13.680 6.062 7.974 1.00 0.00 O ATOM 991 CB LEU A1005 10.853 4.401 7.479 1.00 0.00 C ATOM 992 CG LEU A1005 9.452 4.700 6.929 1.00 0.00 C ATOM 993 CD1 LEU A1005 8.447 3.723 7.548 1.00 0.00 C ATOM 994 CD2 LEU A1005 9.045 6.161 7.243 1.00 0.00 C ATOM 0 H LEU A1005 11.390 3.731 5.198 1.00 0.00 H new ATOM 0 HA LEU A1005 11.592 6.201 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A1005 11.050 3.330 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A1005 10.918 4.701 8.525 1.00 0.00 H new ATOM 0 HG LEU A1005 9.458 4.576 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A1005 7.450 3.932 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A1005 8.729 2.701 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A1005 8.446 3.840 8.632 1.00 0.00 H new ATOM 0 HD21 LEU A1005 8.049 6.355 6.845 1.00 0.00 H new ATOM 0 HD22 LEU A1005 9.041 6.314 8.322 1.00 0.00 H new ATOM 0 HD23 LEU A1005 9.759 6.844 6.783 1.00 0.00 H new ATOM 1006 N SER A1006 13.931 3.963 7.194 1.00 0.00 N ATOM 1007 CA SER A1006 15.257 3.773 7.794 1.00 0.00 C ATOM 1008 C SER A1006 16.338 3.860 6.720 1.00 0.00 C ATOM 1009 O SER A1006 17.440 4.272 7.046 1.00 0.00 O ATOM 1010 CB SER A1006 15.327 2.407 8.475 1.00 0.00 C ATOM 1011 OG SER A1006 15.297 1.388 7.486 1.00 0.00 O ATOM 0 H SER A1006 13.588 3.158 6.669 1.00 0.00 H new ATOM 0 HA SER A1006 15.422 4.557 8.533 1.00 0.00 H new ATOM 0 HB2 SER A1006 16.239 2.329 9.067 1.00 0.00 H new ATOM 0 HB3 SER A1006 14.490 2.287 9.163 1.00 0.00 H new ATOM 0 HG SER A1006 14.381 1.282 7.153 1.00 0.00 H new TER 1017 SER A1006