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 979 LYS NZ :NH3+ -112:sc= -1.05 (180deg=-3.49!) USER MOD Set 1.2: A 994 TYR OH : rot 42:sc= 0.00349 USER MOD Set 2.1: A 971 THR OG1 : rot -149:sc= 0.0572 USER MOD Set 2.2: A 974 GLN :FLIP amide:sc= -10.2! C(o=-11!,f=-10!) 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= -1.26! K(o=-1.3!,f=-2.2) USER MOD Single : A 968 LYS NZ :NH3+ -168:sc=-0.00357 (180deg=-0.216) USER MOD Single : A 970 MET CE :methyl -168:sc= 0 (180deg=-0.0174) USER MOD Single : A 973 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 984 SER OG : rot 0:sc= 0.807! USER MOD Single : A 987 SER OG : rot 9:sc= 0.575! USER MOD Single : A 991 SER OG : rot 48:sc= -0.828 USER MOD Single : A 992 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.045) USER MOD Single : A 995 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.1) 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 -23.213 2.149 6.255 1.00 0.00 N ATOM 2 CA GLY A 945 -21.908 2.109 6.972 1.00 0.00 C ATOM 3 C GLY A 945 -21.855 3.231 8.003 1.00 0.00 C ATOM 4 O GLY A 945 -22.508 3.163 9.044 1.00 0.00 O ATOM 0 HA2 GLY A 945 -21.781 1.144 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -21.088 2.215 6.262 1.00 0.00 H new ATOM 7 N ALA A 946 -21.067 4.261 7.715 1.00 0.00 N ATOM 8 CA ALA A 946 -20.937 5.384 8.635 1.00 0.00 C ATOM 9 C ALA A 946 -20.278 6.581 7.959 1.00 0.00 C ATOM 10 O ALA A 946 -19.784 6.484 6.836 1.00 0.00 O ATOM 11 CB ALA A 946 -20.111 4.965 9.855 1.00 0.00 C ATOM 0 H ALA A 946 -20.514 4.342 6.861 1.00 0.00 H new ATOM 0 HA ALA A 946 -21.938 5.678 8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -20.018 5.809 10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -20.607 4.139 10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -19.119 4.649 9.532 1.00 0.00 H new ATOM 17 N MET A 947 -20.278 7.711 8.661 1.00 0.00 N ATOM 18 CA MET A 947 -19.684 8.934 8.139 1.00 0.00 C ATOM 19 C MET A 947 -18.186 8.739 7.915 1.00 0.00 C ATOM 20 O MET A 947 -17.621 9.244 6.944 1.00 0.00 O ATOM 21 CB MET A 947 -19.915 10.080 9.125 1.00 0.00 C ATOM 22 CG MET A 947 -19.359 11.384 8.550 1.00 0.00 C ATOM 23 SD MET A 947 -19.698 12.738 9.705 1.00 0.00 S ATOM 24 CE MET A 947 -19.879 14.054 8.477 1.00 0.00 C ATOM 0 H MET A 947 -20.683 7.803 9.593 1.00 0.00 H new ATOM 0 HA MET A 947 -20.154 9.177 7.186 1.00 0.00 H new ATOM 0 HB2 MET A 947 -20.981 10.187 9.328 1.00 0.00 H new ATOM 0 HB3 MET A 947 -19.431 9.856 10.076 1.00 0.00 H new ATOM 0 HG2 MET A 947 -18.286 11.293 8.383 1.00 0.00 H new ATOM 0 HG3 MET A 947 -19.816 11.593 7.583 1.00 0.00 H new ATOM 0 HE1 MET A 947 -20.096 14.995 8.982 1.00 0.00 H new ATOM 0 HE2 MET A 947 -18.954 14.152 7.909 1.00 0.00 H new ATOM 0 HE3 MET A 947 -20.697 13.809 7.799 1.00 0.00 H new ATOM 34 N ALA A 948 -17.556 7.997 8.818 1.00 0.00 N ATOM 35 CA ALA A 948 -16.126 7.730 8.719 1.00 0.00 C ATOM 36 C ALA A 948 -15.782 7.168 7.342 1.00 0.00 C ATOM 37 O ALA A 948 -16.574 6.444 6.741 1.00 0.00 O ATOM 38 CB ALA A 948 -15.715 6.728 9.798 1.00 0.00 C ATOM 0 H ALA A 948 -18.011 7.570 9.625 1.00 0.00 H new ATOM 0 HA ALA A 948 -15.585 8.665 8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -14.646 6.530 9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -15.939 7.140 10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -16.267 5.798 9.660 1.00 0.00 H new ATOM 44 N ILE A 949 -14.597 7.519 6.847 1.00 0.00 N ATOM 45 CA ILE A 949 -14.147 7.061 5.533 1.00 0.00 C ATOM 46 C ILE A 949 -13.364 5.756 5.655 1.00 0.00 C ATOM 47 O ILE A 949 -12.666 5.361 4.723 1.00 0.00 O ATOM 48 CB ILE A 949 -13.271 8.136 4.859 1.00 0.00 C ATOM 49 CG1 ILE A 949 -12.255 8.721 5.875 1.00 0.00 C ATOM 50 CG2 ILE A 949 -14.162 9.245 4.281 1.00 0.00 C ATOM 51 CD1 ILE A 949 -12.844 9.915 6.650 1.00 0.00 C ATOM 0 H ILE A 949 -13.931 8.118 7.335 1.00 0.00 H new ATOM 0 HA ILE A 949 -15.028 6.884 4.916 1.00 0.00 H new ATOM 0 HB ILE A 949 -12.709 7.678 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -11.955 7.944 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -11.355 9.038 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -13.538 10.002 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -14.841 8.818 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -14.740 9.703 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -12.101 10.296 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -13.119 10.703 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -13.729 9.592 7.199 1.00 0.00 H new ATOM 63 N ALA A 950 -13.500 5.095 6.804 1.00 0.00 N ATOM 64 CA ALA A 950 -12.819 3.825 7.054 1.00 0.00 C ATOM 65 C ALA A 950 -11.318 4.010 7.190 1.00 0.00 C ATOM 66 O ALA A 950 -10.692 3.450 8.091 1.00 0.00 O ATOM 67 CB ALA A 950 -13.123 2.830 5.934 1.00 0.00 C ATOM 0 H ALA A 950 -14.078 5.420 7.579 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.195 3.431 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -12.609 1.889 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -14.198 2.654 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -12.779 3.236 4.983 1.00 0.00 H new ATOM 73 N LEU A 951 -10.743 4.789 6.293 1.00 0.00 N ATOM 74 CA LEU A 951 -9.307 5.037 6.314 1.00 0.00 C ATOM 75 C LEU A 951 -8.977 6.199 7.247 1.00 0.00 C ATOM 76 O LEU A 951 -9.619 7.248 7.208 1.00 0.00 O ATOM 77 CB LEU A 951 -8.824 5.359 4.894 1.00 0.00 C ATOM 78 CG LEU A 951 -8.570 4.069 4.118 1.00 0.00 C ATOM 79 CD1 LEU A 951 -9.867 3.266 3.998 1.00 0.00 C ATOM 80 CD2 LEU A 951 -8.051 4.427 2.727 1.00 0.00 C ATOM 0 H LEU A 951 -11.244 5.262 5.541 1.00 0.00 H new ATOM 0 HA LEU A 951 -8.801 4.144 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.570 5.962 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.910 5.951 4.938 1.00 0.00 H new ATOM 0 HG LEU A 951 -7.833 3.462 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -9.676 2.347 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.235 3.019 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.615 3.859 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -7.865 3.514 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.793 5.032 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -7.123 4.992 2.819 1.00 0.00 H new ATOM 92 N ARG A 952 -7.960 5.997 8.079 1.00 0.00 N ATOM 93 CA ARG A 952 -7.526 7.023 9.018 1.00 0.00 C ATOM 94 C ARG A 952 -6.505 7.934 8.348 1.00 0.00 C ATOM 95 O ARG A 952 -6.110 7.699 7.207 1.00 0.00 O ATOM 96 CB ARG A 952 -6.911 6.370 10.259 1.00 0.00 C ATOM 97 CG ARG A 952 -8.006 5.634 11.031 1.00 0.00 C ATOM 98 CD ARG A 952 -7.412 5.002 12.291 1.00 0.00 C ATOM 99 NE ARG A 952 -8.451 4.324 13.059 1.00 0.00 N ATOM 100 CZ ARG A 952 -8.148 3.614 14.141 1.00 0.00 C ATOM 101 NH1 ARG A 952 -6.903 3.492 14.514 1.00 0.00 N ATOM 102 NH2 ARG A 952 -9.090 3.034 14.829 1.00 0.00 N ATOM 0 H ARG A 952 -7.422 5.132 8.121 1.00 0.00 H new ATOM 0 HA ARG A 952 -8.388 7.616 9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -6.124 5.674 9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -6.448 7.127 10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.803 6.327 11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.453 4.864 10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.632 4.292 12.016 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -6.941 5.771 12.904 1.00 0.00 H new ATOM 0 HE ARG A 952 -9.424 4.396 12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -6.163 3.942 13.975 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -6.670 2.947 15.344 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -10.063 3.124 14.538 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -8.854 2.490 15.659 1.00 0.00 H new ATOM 116 N ASP A 953 -6.079 8.974 9.055 1.00 0.00 N ATOM 117 CA ASP A 953 -5.108 9.900 8.492 1.00 0.00 C ATOM 118 C ASP A 953 -3.882 9.139 7.996 1.00 0.00 C ATOM 119 O ASP A 953 -3.377 9.402 6.906 1.00 0.00 O ATOM 120 CB ASP A 953 -4.681 10.917 9.551 1.00 0.00 C ATOM 121 CG ASP A 953 -3.907 12.058 8.902 1.00 0.00 C ATOM 122 OD1 ASP A 953 -4.362 12.550 7.881 1.00 0.00 O ATOM 123 OD2 ASP A 953 -2.869 12.419 9.429 1.00 0.00 O ATOM 0 H ASP A 953 -6.385 9.194 10.003 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.570 10.422 7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -5.559 11.309 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -4.062 10.430 10.305 1.00 0.00 H new ATOM 128 N ASP A 954 -3.415 8.195 8.802 1.00 0.00 N ATOM 129 CA ASP A 954 -2.248 7.397 8.444 1.00 0.00 C ATOM 130 C ASP A 954 -2.534 6.543 7.211 1.00 0.00 C ATOM 131 O ASP A 954 -1.698 6.435 6.314 1.00 0.00 O ATOM 132 CB ASP A 954 -1.866 6.497 9.619 1.00 0.00 C ATOM 133 CG ASP A 954 -1.357 7.352 10.776 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.937 8.468 10.520 1.00 0.00 O ATOM 135 OD2 ASP A 954 -1.409 6.886 11.901 1.00 0.00 O ATOM 0 H ASP A 954 -3.825 7.963 9.707 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.422 8.070 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.729 5.913 9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -1.097 5.788 9.312 1.00 0.00 H new ATOM 140 N GLU A 955 -3.717 5.933 7.175 1.00 0.00 N ATOM 141 CA GLU A 955 -4.097 5.081 6.052 1.00 0.00 C ATOM 142 C GLU A 955 -4.262 5.902 4.776 1.00 0.00 C ATOM 143 O GLU A 955 -3.882 5.465 3.690 1.00 0.00 O ATOM 144 CB GLU A 955 -5.413 4.359 6.354 1.00 0.00 C ATOM 145 CG GLU A 955 -5.250 3.494 7.608 1.00 0.00 C ATOM 146 CD GLU A 955 -6.437 2.546 7.747 1.00 0.00 C ATOM 147 OE1 GLU A 955 -7.204 2.447 6.804 1.00 0.00 O ATOM 148 OE2 GLU A 955 -6.560 1.932 8.795 1.00 0.00 O ATOM 0 H GLU A 955 -4.424 6.012 7.906 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.302 4.350 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.212 5.085 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.701 3.737 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.323 2.923 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.176 4.129 8.491 1.00 0.00 H new ATOM 155 N TYR A 956 -4.839 7.091 4.917 1.00 0.00 N ATOM 156 CA TYR A 956 -5.061 7.970 3.775 1.00 0.00 C ATOM 157 C TYR A 956 -3.747 8.243 3.052 1.00 0.00 C ATOM 158 O TYR A 956 -3.690 8.261 1.821 1.00 0.00 O ATOM 159 CB TYR A 956 -5.659 9.295 4.252 1.00 0.00 C ATOM 160 CG TYR A 956 -5.838 10.222 3.074 1.00 0.00 C ATOM 161 CD1 TYR A 956 -4.794 11.070 2.682 1.00 0.00 C ATOM 162 CD2 TYR A 956 -7.047 10.227 2.370 1.00 0.00 C ATOM 163 CE1 TYR A 956 -4.964 11.926 1.588 1.00 0.00 C ATOM 164 CE2 TYR A 956 -7.215 11.081 1.275 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.175 11.931 0.884 1.00 0.00 C ATOM 166 OH TYR A 956 -6.340 12.773 -0.197 1.00 0.00 O ATOM 0 H TYR A 956 -5.161 7.467 5.809 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.751 7.480 3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.619 9.119 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.006 9.755 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -3.859 11.063 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -7.850 9.572 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -4.161 12.583 1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -8.148 11.084 0.731 1.00 0.00 H new ATOM 0 HH TYR A 956 -7.237 12.651 -0.573 1.00 0.00 H new ATOM 176 N ASP A 957 -2.695 8.462 3.830 1.00 0.00 N ATOM 177 CA ASP A 957 -1.385 8.740 3.260 1.00 0.00 C ATOM 178 C ASP A 957 -0.893 7.543 2.457 1.00 0.00 C ATOM 179 O ASP A 957 -0.326 7.700 1.375 1.00 0.00 O ATOM 180 CB ASP A 957 -0.392 9.075 4.375 1.00 0.00 C ATOM 181 CG ASP A 957 0.973 9.409 3.780 1.00 0.00 C ATOM 182 OD1 ASP A 957 1.047 9.571 2.573 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.920 9.504 4.542 1.00 0.00 O ATOM 0 H ASP A 957 -2.723 8.453 4.850 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.466 9.596 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.760 9.919 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.303 8.231 5.058 1.00 0.00 H new ATOM 188 N GLU A 958 -1.124 6.343 2.986 1.00 0.00 N ATOM 189 CA GLU A 958 -0.708 5.130 2.296 1.00 0.00 C ATOM 190 C GLU A 958 -1.494 4.950 1.002 1.00 0.00 C ATOM 191 O GLU A 958 -0.955 4.476 -0.001 1.00 0.00 O ATOM 192 CB GLU A 958 -0.904 3.911 3.200 1.00 0.00 C ATOM 193 CG GLU A 958 0.079 3.980 4.367 1.00 0.00 C ATOM 194 CD GLU A 958 -0.151 2.806 5.311 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.011 1.993 5.011 1.00 0.00 O ATOM 196 OE2 GLU A 958 0.539 2.731 6.315 1.00 0.00 O ATOM 0 H GLU A 958 -1.591 6.188 3.879 1.00 0.00 H new ATOM 0 HA GLU A 958 0.350 5.223 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -1.928 3.883 3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -0.747 2.994 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 958 1.103 3.962 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 958 -0.047 4.920 4.905 1.00 0.00 H new ATOM 203 N TRP A 959 -2.771 5.331 1.017 1.00 0.00 N ATOM 204 CA TRP A 959 -3.595 5.203 -0.177 1.00 0.00 C ATOM 205 C TRP A 959 -3.069 6.141 -1.267 1.00 0.00 C ATOM 206 O TRP A 959 -2.931 5.755 -2.417 1.00 0.00 O ATOM 207 CB TRP A 959 -5.063 5.494 0.163 1.00 0.00 C ATOM 208 CG TRP A 959 -5.879 5.607 -1.080 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.093 4.613 -1.974 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.623 6.756 -1.556 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.917 5.090 -2.978 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.271 6.408 -2.765 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.789 8.058 -1.060 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.064 7.325 -3.455 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.584 8.983 -1.751 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.221 8.618 -2.947 1.00 0.00 C ATOM 0 H TRP A 959 -3.248 5.724 1.829 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.541 4.182 -0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.460 4.699 0.794 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.133 6.419 0.735 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.688 3.614 -1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.225 4.536 -3.777 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.302 8.349 -0.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.553 7.038 -4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.707 9.982 -1.361 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -8.832 9.335 -3.475 1.00 0.00 H new ATOM 227 N GLN A 960 -2.741 7.369 -0.904 1.00 0.00 N ATOM 228 CA GLN A 960 -2.207 8.303 -1.893 1.00 0.00 C ATOM 229 C GLN A 960 -0.846 7.832 -2.406 1.00 0.00 C ATOM 230 O GLN A 960 -0.529 7.968 -3.593 1.00 0.00 O ATOM 231 CB GLN A 960 -2.080 9.701 -1.285 1.00 0.00 C ATOM 232 CG GLN A 960 -3.476 10.284 -1.051 1.00 0.00 C ATOM 233 CD GLN A 960 -4.140 10.584 -2.390 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.703 11.478 -3.114 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.167 9.876 -2.773 1.00 0.00 N ATOM 0 H GLN A 960 -2.830 7.741 0.042 1.00 0.00 H new ATOM 0 HA GLN A 960 -2.899 8.341 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.532 9.652 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.511 10.349 -1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.084 9.580 -0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.405 11.195 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.528 9.135 -2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.608 10.063 -3.673 1.00 0.00 H new ATOM 244 N ASP A 961 -0.045 7.278 -1.507 1.00 0.00 N ATOM 245 CA ASP A 961 1.278 6.794 -1.877 1.00 0.00 C ATOM 246 C ASP A 961 1.164 5.605 -2.832 1.00 0.00 C ATOM 247 O ASP A 961 1.970 5.458 -3.752 1.00 0.00 O ATOM 248 CB ASP A 961 2.061 6.379 -0.617 1.00 0.00 C ATOM 249 CG ASP A 961 2.754 7.584 0.026 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.944 8.578 -0.655 1.00 0.00 O ATOM 251 OD2 ASP A 961 3.088 7.490 1.196 1.00 0.00 O ATOM 0 H ASP A 961 -0.285 7.153 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 961 1.813 7.599 -2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.382 5.920 0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.804 5.626 -0.879 1.00 0.00 H new ATOM 256 N ILE A 962 0.167 4.752 -2.609 1.00 0.00 N ATOM 257 CA ILE A 962 -0.002 3.588 -3.467 1.00 0.00 C ATOM 258 C ILE A 962 -0.431 4.063 -4.854 1.00 0.00 C ATOM 259 O ILE A 962 -0.002 3.515 -5.871 1.00 0.00 O ATOM 260 CB ILE A 962 -1.013 2.587 -2.840 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.554 1.133 -3.105 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.420 2.781 -3.432 1.00 0.00 C ATOM 263 CD1 ILE A 962 0.485 0.706 -2.059 1.00 0.00 C ATOM 0 H ILE A 962 -0.519 4.842 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 962 0.940 3.049 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 962 -1.049 2.777 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -1.412 0.461 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 962 -0.127 1.055 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -3.108 2.069 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.763 3.796 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.388 2.616 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 962 0.800 -0.319 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 962 1.349 1.368 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 962 0.045 0.765 -1.064 1.00 0.00 H new ATOM 275 N ILE A 963 -1.260 5.100 -4.887 1.00 0.00 N ATOM 276 CA ILE A 963 -1.706 5.646 -6.160 1.00 0.00 C ATOM 277 C ILE A 963 -0.495 6.102 -6.951 1.00 0.00 C ATOM 278 O ILE A 963 -0.370 5.809 -8.141 1.00 0.00 O ATOM 279 CB ILE A 963 -2.654 6.823 -5.925 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.975 6.287 -5.377 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.898 7.582 -7.235 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.892 7.437 -4.926 1.00 0.00 C ATOM 0 H ILE A 963 -1.631 5.572 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.241 4.879 -6.719 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.208 7.513 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.477 5.696 -6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.781 5.621 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.575 8.417 -7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -1.950 7.961 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.343 6.909 -7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.826 7.028 -4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.397 8.012 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.104 8.087 -5.775 1.00 0.00 H new ATOM 294 N ARG A 964 0.416 6.794 -6.279 1.00 0.00 N ATOM 295 CA ARG A 964 1.628 7.245 -6.945 1.00 0.00 C ATOM 296 C ARG A 964 2.404 6.030 -7.450 1.00 0.00 C ATOM 297 O ARG A 964 2.958 6.046 -8.550 1.00 0.00 O ATOM 298 CB ARG A 964 2.507 8.056 -5.986 1.00 0.00 C ATOM 299 CG ARG A 964 3.710 8.615 -6.753 1.00 0.00 C ATOM 300 CD ARG A 964 4.634 9.377 -5.803 1.00 0.00 C ATOM 301 NE ARG A 964 5.276 8.450 -4.878 1.00 0.00 N ATOM 302 CZ ARG A 964 6.187 8.867 -4.006 1.00 0.00 C ATOM 303 NH1 ARG A 964 6.531 10.127 -3.971 1.00 0.00 N ATOM 304 NH2 ARG A 964 6.743 8.014 -3.186 1.00 0.00 N ATOM 0 H ARG A 964 0.342 7.050 -5.295 1.00 0.00 H new ATOM 0 HA ARG A 964 1.352 7.886 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.931 8.870 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.846 7.426 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.257 7.801 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.368 9.277 -7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 964 5.390 9.916 -6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.063 10.121 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 964 5.021 7.463 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 964 6.100 10.791 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 964 7.231 10.446 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 964 6.477 7.030 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 964 7.443 8.333 -2.516 1.00 0.00 H new ATOM 318 N ASP A 965 2.443 4.978 -6.633 1.00 0.00 N ATOM 319 CA ASP A 965 3.163 3.762 -6.999 1.00 0.00 C ATOM 320 C ASP A 965 2.652 3.188 -8.321 1.00 0.00 C ATOM 321 O ASP A 965 3.443 2.834 -9.192 1.00 0.00 O ATOM 322 CB ASP A 965 3.003 2.708 -5.901 1.00 0.00 C ATOM 323 CG ASP A 965 3.984 1.562 -6.132 1.00 0.00 C ATOM 324 OD1 ASP A 965 3.889 0.927 -7.169 1.00 0.00 O ATOM 325 OD2 ASP A 965 4.818 1.340 -5.270 1.00 0.00 O ATOM 0 H ASP A 965 1.988 4.944 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 965 4.215 4.023 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.180 3.158 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 965 1.981 2.328 -5.896 1.00 0.00 H new ATOM 330 N TRP A 966 1.328 3.096 -8.474 1.00 0.00 N ATOM 331 CA TRP A 966 0.751 2.558 -9.710 1.00 0.00 C ATOM 332 C TRP A 966 0.690 3.646 -10.780 1.00 0.00 C ATOM 333 O TRP A 966 0.304 3.389 -11.918 1.00 0.00 O ATOM 334 CB TRP A 966 -0.672 2.038 -9.460 1.00 0.00 C ATOM 335 CG TRP A 966 -0.748 1.324 -8.154 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.507 1.723 -7.111 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.077 0.101 -7.728 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.344 0.836 -6.071 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.469 -0.181 -6.397 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.826 -0.779 -8.355 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.017 -1.294 -5.712 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.317 -1.903 -7.665 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.913 -2.158 -6.346 1.00 0.00 C ATOM 0 H TRP A 966 0.646 3.381 -7.772 1.00 0.00 H new ATOM 0 HA TRP A 966 1.385 1.738 -10.048 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.376 2.870 -9.467 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.966 1.366 -10.266 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -2.140 2.598 -7.095 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.813 0.920 -5.169 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.143 -0.590 -9.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.298 -1.487 -4.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.009 -2.573 -8.154 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.294 -3.021 -5.821 1.00 0.00 H new ATOM 354 N ARG A 967 1.062 4.859 -10.397 1.00 0.00 N ATOM 355 CA ARG A 967 1.032 5.984 -11.319 1.00 0.00 C ATOM 356 C ARG A 967 -0.323 6.062 -12.022 1.00 0.00 C ATOM 357 O ARG A 967 -0.449 6.685 -13.076 1.00 0.00 O ATOM 358 CB ARG A 967 2.152 5.848 -12.356 1.00 0.00 C ATOM 359 CG ARG A 967 3.492 5.661 -11.636 1.00 0.00 C ATOM 360 CD ARG A 967 4.650 5.942 -12.597 1.00 0.00 C ATOM 361 NE ARG A 967 4.829 7.382 -12.756 1.00 0.00 N ATOM 362 CZ ARG A 967 5.338 8.117 -11.774 1.00 0.00 C ATOM 363 NH1 ARG A 967 5.655 7.556 -10.638 1.00 0.00 N ATOM 364 NH2 ARG A 967 5.504 9.402 -11.936 1.00 0.00 N ATOM 0 H ARG A 967 1.387 5.088 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 967 1.185 6.901 -10.750 1.00 0.00 H new ATOM 0 HB2 ARG A 967 1.956 4.998 -13.010 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.187 6.735 -12.988 1.00 0.00 H new ATOM 0 HG2 ARG A 967 3.550 6.332 -10.779 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.568 4.644 -11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 967 5.567 5.493 -12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.449 5.483 -13.565 1.00 0.00 H new ATOM 0 HE ARG A 967 4.560 7.829 -13.632 1.00 0.00 H new ATOM 0 HH11 ARG A 967 5.512 6.555 -10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 967 6.046 8.119 -9.883 1.00 0.00 H new ATOM 0 HH21 ARG A 967 5.243 9.843 -12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 967 5.895 9.965 -11.181 1.00 0.00 H new ATOM 378 N LYS A 968 -1.338 5.431 -11.425 1.00 0.00 N ATOM 379 CA LYS A 968 -2.692 5.438 -11.992 1.00 0.00 C ATOM 380 C LYS A 968 -3.712 5.651 -10.867 1.00 0.00 C ATOM 381 O LYS A 968 -3.459 5.291 -9.718 1.00 0.00 O ATOM 382 CB LYS A 968 -2.955 4.113 -12.754 1.00 0.00 C ATOM 383 CG LYS A 968 -3.639 3.065 -11.859 1.00 0.00 C ATOM 384 CD LYS A 968 -3.664 1.715 -12.576 1.00 0.00 C ATOM 385 CE LYS A 968 -4.510 0.725 -11.769 1.00 0.00 C ATOM 386 NZ LYS A 968 -3.848 0.450 -10.461 1.00 0.00 N ATOM 0 H LYS A 968 -1.250 4.910 -10.552 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.792 6.256 -12.706 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.581 4.312 -13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -2.011 3.714 -13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -3.105 2.976 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -4.655 3.381 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -4.077 1.831 -13.578 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.650 1.333 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -5.507 1.133 -11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.634 -0.203 -12.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -4.306 -0.364 -10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -2.842 0.238 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -3.933 1.285 -9.846 1.00 0.00 H new ATOM 400 N GLU A 969 -4.853 6.243 -11.200 1.00 0.00 N ATOM 401 CA GLU A 969 -5.884 6.502 -10.197 1.00 0.00 C ATOM 402 C GLU A 969 -6.663 5.228 -9.862 1.00 0.00 C ATOM 403 O GLU A 969 -6.927 4.397 -10.730 1.00 0.00 O ATOM 404 CB GLU A 969 -6.845 7.585 -10.711 1.00 0.00 C ATOM 405 CG GLU A 969 -7.860 7.958 -9.622 1.00 0.00 C ATOM 406 CD GLU A 969 -7.157 8.693 -8.482 1.00 0.00 C ATOM 407 OE1 GLU A 969 -6.000 9.040 -8.652 1.00 0.00 O ATOM 408 OE2 GLU A 969 -7.785 8.892 -7.456 1.00 0.00 O ATOM 0 H GLU A 969 -5.088 6.550 -12.144 1.00 0.00 H new ATOM 0 HA GLU A 969 -5.396 6.848 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -6.281 8.469 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -7.368 7.226 -11.597 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -8.643 8.588 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -8.345 7.059 -9.242 1.00 0.00 H new ATOM 415 N MET A 970 -7.037 5.102 -8.587 1.00 0.00 N ATOM 416 CA MET A 970 -7.802 3.952 -8.110 1.00 0.00 C ATOM 417 C MET A 970 -8.643 4.370 -6.908 1.00 0.00 C ATOM 418 O MET A 970 -8.388 5.409 -6.300 1.00 0.00 O ATOM 419 CB MET A 970 -6.859 2.802 -7.715 1.00 0.00 C ATOM 420 CG MET A 970 -6.032 3.181 -6.460 1.00 0.00 C ATOM 421 SD MET A 970 -6.580 2.210 -5.026 1.00 0.00 S ATOM 422 CE MET A 970 -5.407 0.837 -5.167 1.00 0.00 C ATOM 0 H MET A 970 -6.820 5.788 -7.864 1.00 0.00 H new ATOM 0 HA MET A 970 -8.454 3.602 -8.910 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.439 1.901 -7.516 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.189 2.573 -8.543 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.973 3.001 -6.646 1.00 0.00 H new ATOM 0 HG3 MET A 970 -6.143 4.245 -6.251 1.00 0.00 H new ATOM 0 HE1 MET A 970 -5.714 0.027 -4.506 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.389 0.478 -6.196 1.00 0.00 H new ATOM 0 HE3 MET A 970 -4.411 1.179 -4.884 1.00 0.00 H new ATOM 432 N THR A 971 -9.654 3.573 -6.570 1.00 0.00 N ATOM 433 CA THR A 971 -10.517 3.906 -5.439 1.00 0.00 C ATOM 434 C THR A 971 -9.951 3.379 -4.125 1.00 0.00 C ATOM 435 O THR A 971 -9.111 2.478 -4.109 1.00 0.00 O ATOM 436 CB THR A 971 -11.911 3.320 -5.659 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.817 1.907 -5.743 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.498 3.875 -6.957 1.00 0.00 C ATOM 0 H THR A 971 -9.893 2.707 -7.053 1.00 0.00 H new ATOM 0 HA THR A 971 -10.573 4.993 -5.375 1.00 0.00 H new ATOM 0 HB THR A 971 -12.559 3.592 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.514 1.568 -6.342 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.492 3.457 -7.114 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.567 4.961 -6.890 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.854 3.603 -7.793 1.00 0.00 H new ATOM 446 N VAL A 972 -10.441 3.945 -3.030 1.00 0.00 N ATOM 447 CA VAL A 972 -10.020 3.541 -1.696 1.00 0.00 C ATOM 448 C VAL A 972 -10.467 2.097 -1.429 1.00 0.00 C ATOM 449 O VAL A 972 -9.719 1.298 -0.871 1.00 0.00 O ATOM 450 CB VAL A 972 -10.636 4.521 -0.668 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.845 3.838 0.689 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.705 5.728 -0.485 1.00 0.00 C ATOM 0 H VAL A 972 -11.136 4.691 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.934 3.575 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.604 4.847 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.279 4.550 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.519 2.990 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.886 3.489 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.140 6.417 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.735 5.388 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.578 6.238 -1.440 1.00 0.00 H new ATOM 462 N GLN A 973 -11.700 1.775 -1.817 1.00 0.00 N ATOM 463 CA GLN A 973 -12.235 0.433 -1.599 1.00 0.00 C ATOM 464 C GLN A 973 -11.334 -0.629 -2.226 1.00 0.00 C ATOM 465 O GLN A 973 -11.053 -1.654 -1.608 1.00 0.00 O ATOM 466 CB GLN A 973 -13.641 0.319 -2.193 1.00 0.00 C ATOM 467 CG GLN A 973 -14.232 -1.051 -1.846 1.00 0.00 C ATOM 468 CD GLN A 973 -15.672 -1.139 -2.334 1.00 0.00 C ATOM 469 OE1 GLN A 973 -16.286 -0.056 -2.729 1.00 0.00 O flip ATOM 470 NE2 GLN A 973 -16.253 -2.223 -2.362 1.00 0.00 N flip ATOM 0 H GLN A 973 -12.342 2.419 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.278 0.264 -0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.278 1.112 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.602 0.447 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -13.636 -1.840 -2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.195 -1.209 -0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -15.772 -3.068 -2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -17.216 -2.277 -2.694 1.00 0.00 H new ATOM 479 N GLN A 974 -10.884 -0.388 -3.452 1.00 0.00 N ATOM 480 CA GLN A 974 -10.017 -1.346 -4.127 1.00 0.00 C ATOM 481 C GLN A 974 -8.754 -1.567 -3.295 1.00 0.00 C ATOM 482 O GLN A 974 -8.302 -2.698 -3.115 1.00 0.00 O ATOM 483 CB GLN A 974 -9.662 -0.812 -5.524 1.00 0.00 C ATOM 484 CG GLN A 974 -10.761 -1.183 -6.532 1.00 0.00 C ATOM 485 CD GLN A 974 -12.146 -0.843 -5.983 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.918 -0.032 -6.653 1.00 0.00 O flip ATOM 487 NE2 GLN A 974 -12.541 -1.334 -4.926 1.00 0.00 N flip ATOM 0 H GLN A 974 -11.101 0.450 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.531 -2.301 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.543 0.271 -5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.707 -1.227 -5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -10.596 -0.649 -7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.707 -2.248 -6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.938 -1.968 -4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.471 -1.107 -4.574 1.00 0.00 H new ATOM 496 N PHE A 975 -8.214 -0.476 -2.769 1.00 0.00 N ATOM 497 CA PHE A 975 -7.026 -0.544 -1.930 1.00 0.00 C ATOM 498 C PHE A 975 -7.316 -1.358 -0.673 1.00 0.00 C ATOM 499 O PHE A 975 -6.521 -2.207 -0.270 1.00 0.00 O ATOM 500 CB PHE A 975 -6.592 0.870 -1.549 1.00 0.00 C ATOM 501 CG PHE A 975 -5.405 0.805 -0.621 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.160 0.419 -1.122 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.542 1.147 0.731 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.051 0.370 -0.276 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.432 1.092 1.582 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.184 0.702 1.078 1.00 0.00 C ATOM 0 H PHE A 975 -8.580 0.466 -2.908 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.223 -1.032 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.335 1.436 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.415 1.396 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.055 0.158 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.503 1.453 1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.088 0.075 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.537 1.350 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.326 0.658 1.733 1.00 0.00 H new ATOM 516 N LEU A 976 -8.467 -1.097 -0.062 1.00 0.00 N ATOM 517 CA LEU A 976 -8.867 -1.801 1.139 1.00 0.00 C ATOM 518 C LEU A 976 -8.982 -3.299 0.827 1.00 0.00 C ATOM 519 O LEU A 976 -8.609 -4.152 1.622 1.00 0.00 O ATOM 520 CB LEU A 976 -10.222 -1.235 1.613 1.00 0.00 C ATOM 521 CG LEU A 976 -10.455 -1.448 3.119 1.00 0.00 C ATOM 522 CD1 LEU A 976 -10.051 -2.862 3.545 1.00 0.00 C ATOM 523 CD2 LEU A 976 -9.678 -0.398 3.945 1.00 0.00 C ATOM 0 H LEU A 976 -9.138 -0.399 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.129 -1.666 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.265 -0.169 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.027 -1.711 1.053 1.00 0.00 H new ATOM 0 HG LEU A 976 -11.521 -1.325 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -10.226 -2.984 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -10.645 -3.592 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -8.994 -3.018 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -9.856 -0.566 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -8.612 -0.488 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -10.017 0.602 3.674 1.00 0.00 H new ATOM 535 N ASP A 977 -9.496 -3.619 -0.347 1.00 0.00 N ATOM 536 CA ASP A 977 -9.624 -5.016 -0.724 1.00 0.00 C ATOM 537 C ASP A 977 -8.242 -5.659 -0.837 1.00 0.00 C ATOM 538 O ASP A 977 -8.039 -6.796 -0.410 1.00 0.00 O ATOM 539 CB ASP A 977 -10.371 -5.137 -2.053 1.00 0.00 C ATOM 540 CG ASP A 977 -10.610 -6.606 -2.388 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.102 -7.446 -1.666 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.296 -6.866 -3.361 1.00 0.00 O ATOM 0 H ASP A 977 -9.825 -2.949 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.192 -5.537 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.323 -4.610 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.794 -4.664 -2.848 1.00 0.00 H new ATOM 547 N LEU A 978 -7.294 -4.921 -1.416 1.00 0.00 N ATOM 548 CA LEU A 978 -5.933 -5.430 -1.589 1.00 0.00 C ATOM 549 C LEU A 978 -5.245 -5.701 -0.249 1.00 0.00 C ATOM 550 O LEU A 978 -4.644 -6.759 -0.063 1.00 0.00 O ATOM 551 CB LEU A 978 -5.120 -4.413 -2.401 1.00 0.00 C ATOM 552 CG LEU A 978 -3.648 -4.842 -2.507 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.551 -6.258 -3.089 1.00 0.00 C ATOM 554 CD2 LEU A 978 -2.903 -3.860 -3.425 1.00 0.00 C ATOM 0 H LEU A 978 -7.442 -3.976 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 978 -5.989 -6.381 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.547 -4.315 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.183 -3.432 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.200 -4.837 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.504 -6.551 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.080 -6.955 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.000 -6.275 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.858 -4.158 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.360 -3.869 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -2.963 -2.855 -3.007 1.00 0.00 H new ATOM 566 N LYS A 979 -5.326 -4.753 0.680 1.00 0.00 N ATOM 567 CA LYS A 979 -4.694 -4.935 1.983 1.00 0.00 C ATOM 568 C LYS A 979 -5.432 -6.011 2.774 1.00 0.00 C ATOM 569 O LYS A 979 -4.817 -6.855 3.401 1.00 0.00 O ATOM 570 CB LYS A 979 -4.667 -3.599 2.746 1.00 0.00 C ATOM 571 CG LYS A 979 -6.050 -3.286 3.307 1.00 0.00 C ATOM 572 CD LYS A 979 -6.082 -1.854 3.855 1.00 0.00 C ATOM 573 CE LYS A 979 -5.239 -1.746 5.135 1.00 0.00 C ATOM 574 NZ LYS A 979 -3.807 -1.541 4.777 1.00 0.00 N ATOM 0 H LYS A 979 -5.814 -3.866 0.559 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.664 -5.264 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -3.940 -3.649 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.347 -2.798 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -6.803 -3.403 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.299 -3.993 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.702 -1.163 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.111 -1.562 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -5.593 -0.916 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -5.349 -2.651 5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -3.259 -2.384 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -3.725 -1.383 3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -3.437 -0.713 5.286 1.00 0.00 H new ATOM 588 N GLU A 980 -6.754 -6.003 2.725 1.00 0.00 N ATOM 589 CA GLU A 980 -7.504 -7.020 3.446 1.00 0.00 C ATOM 590 C GLU A 980 -7.011 -8.401 3.021 1.00 0.00 C ATOM 591 O GLU A 980 -6.743 -9.266 3.857 1.00 0.00 O ATOM 592 CB GLU A 980 -9.003 -6.887 3.149 1.00 0.00 C ATOM 593 CG GLU A 980 -9.783 -7.949 3.932 1.00 0.00 C ATOM 594 CD GLU A 980 -11.277 -7.796 3.675 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.632 -7.060 2.767 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.047 -8.412 4.394 1.00 0.00 O ATOM 0 H GLU A 980 -7.317 -5.326 2.210 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.350 -6.888 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.351 -5.891 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.183 -7.004 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.455 -8.945 3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.577 -7.850 4.998 1.00 0.00 H new ATOM 603 N ARG A 981 -6.882 -8.588 1.715 1.00 0.00 N ATOM 604 CA ARG A 981 -6.408 -9.856 1.176 1.00 0.00 C ATOM 605 C ARG A 981 -4.966 -10.143 1.598 1.00 0.00 C ATOM 606 O ARG A 981 -4.649 -11.247 2.035 1.00 0.00 O ATOM 607 CB ARG A 981 -6.493 -9.815 -0.352 1.00 0.00 C ATOM 608 CG ARG A 981 -7.960 -9.864 -0.788 1.00 0.00 C ATOM 609 CD ARG A 981 -8.048 -9.647 -2.298 1.00 0.00 C ATOM 610 NE ARG A 981 -7.365 -10.715 -3.021 1.00 0.00 N ATOM 611 CZ ARG A 981 -7.186 -10.633 -4.335 1.00 0.00 C ATOM 612 NH1 ARG A 981 -7.641 -9.597 -4.983 1.00 0.00 N ATOM 613 NH2 ARG A 981 -6.569 -11.585 -4.981 1.00 0.00 N ATOM 0 H ARG A 981 -7.098 -7.882 1.011 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.039 -10.652 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.022 -8.907 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -5.948 -10.657 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.398 -10.826 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.532 -9.097 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -9.094 -9.608 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -7.604 -8.686 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 981 -7.022 -11.531 -2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.131 -8.856 -4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -7.507 -9.527 -5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -6.220 -12.400 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -6.436 -11.514 -5.990 1.00 0.00 H new ATOM 627 N ALA A 982 -4.092 -9.150 1.455 1.00 0.00 N ATOM 628 CA ALA A 982 -2.684 -9.330 1.812 1.00 0.00 C ATOM 629 C ALA A 982 -2.510 -9.600 3.310 1.00 0.00 C ATOM 630 O ALA A 982 -1.811 -10.532 3.710 1.00 0.00 O ATOM 631 CB ALA A 982 -1.879 -8.082 1.391 1.00 0.00 C ATOM 0 H ALA A 982 -4.327 -8.223 1.099 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.306 -10.203 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -0.831 -8.218 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -1.964 -7.941 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.273 -7.205 1.904 1.00 0.00 H new ATOM 637 N LEU A 983 -3.152 -8.779 4.122 1.00 0.00 N ATOM 638 CA LEU A 983 -3.079 -8.923 5.567 1.00 0.00 C ATOM 639 C LEU A 983 -3.740 -10.233 5.993 1.00 0.00 C ATOM 640 O LEU A 983 -3.404 -10.797 7.033 1.00 0.00 O ATOM 641 CB LEU A 983 -3.760 -7.721 6.241 1.00 0.00 C ATOM 642 CG LEU A 983 -2.783 -6.530 6.336 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.082 -6.273 4.995 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.563 -5.279 6.745 1.00 0.00 C ATOM 0 H LEU A 983 -3.732 -8.002 3.805 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.035 -8.950 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.643 -7.430 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.100 -8.000 7.238 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.021 -6.767 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.401 -5.428 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.519 -7.160 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -2.827 -6.049 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.881 -4.432 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.329 -5.068 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.036 -5.445 7.713 1.00 0.00 H new ATOM 656 N SER A 984 -4.678 -10.712 5.179 1.00 0.00 N ATOM 657 CA SER A 984 -5.378 -11.959 5.477 1.00 0.00 C ATOM 658 C SER A 984 -4.510 -13.163 5.110 1.00 0.00 C ATOM 659 O SER A 984 -4.907 -14.310 5.314 1.00 0.00 O ATOM 660 CB SER A 984 -6.692 -12.018 4.698 1.00 0.00 C ATOM 661 OG SER A 984 -7.247 -13.321 4.816 1.00 0.00 O ATOM 0 H SER A 984 -4.970 -10.259 4.313 1.00 0.00 H new ATOM 0 HA SER A 984 -5.588 -11.990 6.546 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.391 -11.276 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.518 -11.777 3.649 1.00 0.00 H new ATOM 0 HG SER A 984 -6.661 -13.877 5.371 1.00 0.00 H new ATOM 667 N GLY A 985 -3.317 -12.894 4.579 1.00 0.00 N ATOM 668 CA GLY A 985 -2.392 -13.964 4.200 1.00 0.00 C ATOM 669 C GLY A 985 -2.616 -14.428 2.763 1.00 0.00 C ATOM 670 O GLY A 985 -2.357 -15.583 2.427 1.00 0.00 O ATOM 0 H GLY A 985 -2.969 -11.951 4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.366 -13.614 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.517 -14.809 4.878 1.00 0.00 H new ATOM 674 N ALA A 986 -3.093 -13.522 1.919 1.00 0.00 N ATOM 675 CA ALA A 986 -3.343 -13.850 0.517 1.00 0.00 C ATOM 676 C ALA A 986 -2.046 -14.197 -0.197 1.00 0.00 C ATOM 677 O ALA A 986 -0.975 -13.714 0.168 1.00 0.00 O ATOM 678 CB ALA A 986 -3.988 -12.668 -0.189 1.00 0.00 C ATOM 0 H ALA A 986 -3.314 -12.560 2.176 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.011 -14.711 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.170 -12.923 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -4.934 -12.427 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.323 -11.806 -0.137 1.00 0.00 H new ATOM 684 N SER A 987 -2.151 -15.045 -1.222 1.00 0.00 N ATOM 685 CA SER A 987 -0.973 -15.460 -1.987 1.00 0.00 C ATOM 686 C SER A 987 -0.967 -14.858 -3.390 1.00 0.00 C ATOM 687 O SER A 987 0.039 -14.953 -4.092 1.00 0.00 O ATOM 688 CB SER A 987 -0.929 -16.983 -2.091 1.00 0.00 C ATOM 689 OG SER A 987 -0.021 -17.351 -3.123 1.00 0.00 O ATOM 0 H SER A 987 -3.030 -15.454 -1.539 1.00 0.00 H new ATOM 0 HA SER A 987 -0.093 -15.096 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 987 -0.615 -17.416 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 987 -1.923 -17.374 -2.307 1.00 0.00 H new ATOM 0 HG SER A 987 0.471 -16.558 -3.424 1.00 0.00 H new ATOM 695 N ASP A 988 -2.069 -14.235 -3.806 1.00 0.00 N ATOM 696 CA ASP A 988 -2.102 -13.636 -5.140 1.00 0.00 C ATOM 697 C ASP A 988 -0.859 -12.762 -5.316 1.00 0.00 C ATOM 698 O ASP A 988 -0.353 -12.219 -4.338 1.00 0.00 O ATOM 699 CB ASP A 988 -3.377 -12.801 -5.335 1.00 0.00 C ATOM 700 CG ASP A 988 -3.578 -11.842 -4.171 1.00 0.00 C ATOM 701 OD1 ASP A 988 -2.833 -10.884 -4.088 1.00 0.00 O ATOM 702 OD2 ASP A 988 -4.481 -12.073 -3.386 1.00 0.00 O ATOM 0 H ASP A 988 -2.924 -14.133 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.108 -14.426 -5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.311 -12.240 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -4.240 -13.461 -5.421 1.00 0.00 H new ATOM 707 N PRO A 989 -0.336 -12.627 -6.511 1.00 0.00 N ATOM 708 CA PRO A 989 0.901 -11.819 -6.745 1.00 0.00 C ATOM 709 C PRO A 989 0.745 -10.376 -6.269 1.00 0.00 C ATOM 710 O PRO A 989 1.705 -9.762 -5.800 1.00 0.00 O ATOM 711 CB PRO A 989 1.113 -11.902 -8.272 1.00 0.00 C ATOM 712 CG PRO A 989 -0.210 -12.320 -8.830 1.00 0.00 C ATOM 713 CD PRO A 989 -0.846 -13.208 -7.767 1.00 0.00 C ATOM 0 HA PRO A 989 1.755 -12.197 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.426 -10.940 -8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.891 -12.623 -8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -0.837 -11.454 -9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.086 -12.861 -9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -1.935 -13.179 -7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -0.550 -14.251 -7.880 1.00 0.00 H new ATOM 721 N ASP A 990 -0.461 -9.848 -6.374 1.00 0.00 N ATOM 722 CA ASP A 990 -0.719 -8.486 -5.929 1.00 0.00 C ATOM 723 C ASP A 990 -0.538 -8.396 -4.409 1.00 0.00 C ATOM 724 O ASP A 990 -0.085 -7.376 -3.884 1.00 0.00 O ATOM 725 CB ASP A 990 -2.158 -8.083 -6.301 1.00 0.00 C ATOM 726 CG ASP A 990 -2.236 -7.563 -7.739 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.197 -7.283 -8.316 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.342 -7.454 -8.241 1.00 0.00 O ATOM 0 H ASP A 990 -1.271 -10.334 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.017 -7.810 -6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.820 -8.942 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.512 -7.314 -5.614 1.00 0.00 H new ATOM 733 N SER A 991 -0.922 -9.462 -3.712 1.00 0.00 N ATOM 734 CA SER A 991 -0.830 -9.499 -2.255 1.00 0.00 C ATOM 735 C SER A 991 0.613 -9.591 -1.770 1.00 0.00 C ATOM 736 O SER A 991 1.049 -8.781 -0.953 1.00 0.00 O ATOM 737 CB SER A 991 -1.630 -10.686 -1.723 1.00 0.00 C ATOM 738 OG SER A 991 -3.017 -10.375 -1.796 1.00 0.00 O ATOM 0 H SER A 991 -1.300 -10.311 -4.132 1.00 0.00 H new ATOM 0 HA SER A 991 -1.243 -8.565 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 991 -1.413 -11.580 -2.308 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.345 -10.902 -0.693 1.00 0.00 H new ATOM 0 HG SER A 991 -3.227 -10.021 -2.686 1.00 0.00 H new ATOM 744 N GLN A 992 1.359 -10.574 -2.268 1.00 0.00 N ATOM 745 CA GLN A 992 2.747 -10.719 -1.844 1.00 0.00 C ATOM 746 C GLN A 992 3.537 -9.488 -2.267 1.00 0.00 C ATOM 747 O GLN A 992 4.383 -8.996 -1.519 1.00 0.00 O ATOM 748 CB GLN A 992 3.371 -11.996 -2.429 1.00 0.00 C ATOM 749 CG GLN A 992 2.882 -12.216 -3.860 1.00 0.00 C ATOM 750 CD GLN A 992 3.791 -13.212 -4.575 1.00 0.00 C ATOM 751 OE1 GLN A 992 3.898 -14.365 -4.157 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.454 -12.834 -5.635 1.00 0.00 N ATOM 0 H GLN A 992 1.037 -11.264 -2.947 1.00 0.00 H new ATOM 0 HA GLN A 992 2.778 -10.807 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.458 -11.917 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.107 -12.854 -1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.858 -12.588 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.871 -11.269 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 992 4.363 -11.878 -5.979 1.00 0.00 H new ATOM 0 HE22 GLN A 992 5.062 -13.495 -6.119 1.00 0.00 H new ATOM 761 N ARG A 993 3.234 -8.977 -3.452 1.00 0.00 N ATOM 762 CA ARG A 993 3.899 -7.781 -3.946 1.00 0.00 C ATOM 763 C ARG A 993 3.595 -6.605 -3.025 1.00 0.00 C ATOM 764 O ARG A 993 4.478 -5.813 -2.707 1.00 0.00 O ATOM 765 CB ARG A 993 3.425 -7.467 -5.369 1.00 0.00 C ATOM 766 CG ARG A 993 3.987 -8.503 -6.362 1.00 0.00 C ATOM 767 CD ARG A 993 5.382 -8.078 -6.842 1.00 0.00 C ATOM 768 NE ARG A 993 5.966 -9.118 -7.683 1.00 0.00 N ATOM 769 CZ ARG A 993 5.686 -9.197 -8.982 1.00 0.00 C ATOM 770 NH1 ARG A 993 4.861 -8.344 -9.525 1.00 0.00 N ATOM 771 NH2 ARG A 993 6.234 -10.131 -9.706 1.00 0.00 N ATOM 0 H ARG A 993 2.537 -9.369 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 993 4.975 -7.953 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.336 -7.472 -5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.749 -6.466 -5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.041 -9.482 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.316 -8.601 -7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.313 -7.145 -7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 993 6.027 -7.889 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 993 6.602 -9.798 -7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 993 4.431 -7.617 -8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 993 4.647 -8.405 -10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 993 6.875 -10.799 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 993 6.022 -10.195 -10.702 1.00 0.00 H new ATOM 785 N TYR A 994 2.341 -6.508 -2.586 1.00 0.00 N ATOM 786 CA TYR A 994 1.945 -5.434 -1.685 1.00 0.00 C ATOM 787 C TYR A 994 2.747 -5.524 -0.390 1.00 0.00 C ATOM 788 O TYR A 994 3.298 -4.530 0.085 1.00 0.00 O ATOM 789 CB TYR A 994 0.446 -5.526 -1.388 1.00 0.00 C ATOM 790 CG TYR A 994 0.073 -4.531 -0.313 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.030 -3.164 -0.608 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.228 -4.978 0.977 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.317 -2.246 0.390 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.574 -4.062 1.974 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.619 -2.694 1.681 1.00 0.00 C ATOM 796 OH TYR A 994 -0.959 -1.789 2.665 1.00 0.00 O ATOM 0 H TYR A 994 1.592 -7.153 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 994 2.149 -4.474 -2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.126 -5.327 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.191 -6.536 -1.066 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.264 -2.818 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.193 -6.033 1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.352 -1.191 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.807 -4.409 2.970 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.564 -1.113 2.293 1.00 0.00 H new ATOM 806 N ASN A 995 2.828 -6.727 0.164 1.00 0.00 N ATOM 807 CA ASN A 995 3.585 -6.936 1.389 1.00 0.00 C ATOM 808 C ASN A 995 5.025 -6.491 1.163 1.00 0.00 C ATOM 809 O ASN A 995 5.632 -5.851 2.022 1.00 0.00 O ATOM 810 CB ASN A 995 3.557 -8.417 1.763 1.00 0.00 C ATOM 811 CG ASN A 995 2.153 -8.824 2.202 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.472 -8.065 2.887 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.681 -9.987 1.843 1.00 0.00 N ATOM 0 H ASN A 995 2.383 -7.565 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 995 3.143 -6.356 2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.869 -9.021 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.267 -8.610 2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 995 0.744 -10.268 2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.249 -10.615 1.274 1.00 0.00 H new ATOM 820 N ALA A 996 5.555 -6.813 -0.014 1.00 0.00 N ATOM 821 CA ALA A 996 6.913 -6.418 -0.355 1.00 0.00 C ATOM 822 C ALA A 996 7.012 -4.904 -0.413 1.00 0.00 C ATOM 823 O ALA A 996 7.957 -4.314 0.089 1.00 0.00 O ATOM 824 CB ALA A 996 7.305 -6.974 -1.719 1.00 0.00 C ATOM 0 H ALA A 996 5.069 -7.341 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 996 7.582 -6.813 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.324 -6.668 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.248 -8.062 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.624 -6.589 -2.478 1.00 0.00 H new ATOM 830 N TRP A 997 6.030 -4.274 -1.038 1.00 0.00 N ATOM 831 CA TRP A 997 6.047 -2.828 -1.156 1.00 0.00 C ATOM 832 C TRP A 997 6.195 -2.223 0.233 1.00 0.00 C ATOM 833 O TRP A 997 6.969 -1.287 0.436 1.00 0.00 O ATOM 834 CB TRP A 997 4.761 -2.331 -1.830 1.00 0.00 C ATOM 835 CG TRP A 997 4.666 -0.839 -1.735 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.412 0.038 -2.447 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.778 -0.040 -0.906 1.00 0.00 C ATOM 838 NE1 TRP A 997 5.044 1.326 -2.095 1.00 0.00 N ATOM 839 CE2 TRP A 997 4.037 1.330 -1.150 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.782 -0.368 0.029 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.332 2.337 -0.491 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.070 0.643 0.695 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.344 1.992 0.437 1.00 0.00 C ATOM 0 H TRP A 997 5.225 -4.733 -1.464 1.00 0.00 H new ATOM 0 HA TRP A 997 6.889 -2.520 -1.776 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.749 -2.637 -2.876 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.893 -2.788 -1.355 1.00 0.00 H new ATOM 0 HD1 TRP A 997 6.170 -0.224 -3.171 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.465 2.169 -2.486 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.562 -1.405 0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.547 3.375 -0.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.306 0.378 1.411 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.794 2.764 0.954 1.00 0.00 H new ATOM 854 N LEU A 998 5.478 -2.790 1.201 1.00 0.00 N ATOM 855 CA LEU A 998 5.582 -2.311 2.572 1.00 0.00 C ATOM 856 C LEU A 998 7.002 -2.541 3.067 1.00 0.00 C ATOM 857 O LEU A 998 7.585 -1.690 3.739 1.00 0.00 O ATOM 858 CB LEU A 998 4.595 -3.047 3.484 1.00 0.00 C ATOM 859 CG LEU A 998 3.152 -2.651 3.140 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.189 -3.589 3.870 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.870 -1.195 3.566 1.00 0.00 C ATOM 0 H LEU A 998 4.831 -3.567 1.064 1.00 0.00 H new ATOM 0 HA LEU A 998 5.341 -1.248 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.720 -4.124 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.806 -2.808 4.526 1.00 0.00 H new ATOM 0 HG LEU A 998 3.011 -2.731 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.162 -3.314 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.373 -4.616 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.346 -3.506 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.842 -0.935 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.015 -1.096 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.553 -0.525 3.044 1.00 0.00 H new ATOM 873 N GLU A 999 7.556 -3.700 2.718 1.00 0.00 N ATOM 874 CA GLU A 999 8.915 -4.032 3.122 1.00 0.00 C ATOM 875 C GLU A 999 9.904 -3.028 2.533 1.00 0.00 C ATOM 876 O GLU A 999 10.792 -2.529 3.233 1.00 0.00 O ATOM 877 CB GLU A 999 9.266 -5.455 2.658 1.00 0.00 C ATOM 878 CG GLU A 999 10.659 -5.827 3.172 1.00 0.00 C ATOM 879 CD GLU A 999 10.975 -7.275 2.818 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.065 -7.982 2.423 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.125 -7.660 2.957 1.00 0.00 O ATOM 0 H GLU A 999 7.089 -4.416 2.162 1.00 0.00 H new ATOM 0 HA GLU A 999 8.980 -3.987 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.527 -6.164 3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.241 -5.511 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.406 -5.165 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 999 10.706 -5.689 4.252 1.00 0.00 H new ATOM 888 N LEU A1000 9.733 -2.713 1.251 1.00 0.00 N ATOM 889 CA LEU A1000 10.610 -1.753 0.600 1.00 0.00 C ATOM 890 C LEU A1000 10.472 -0.407 1.296 1.00 0.00 C ATOM 891 O LEU A1000 11.457 0.283 1.545 1.00 0.00 O ATOM 892 CB LEU A1000 10.227 -1.572 -0.878 1.00 0.00 C ATOM 893 CG LEU A1000 10.377 -2.880 -1.675 1.00 0.00 C ATOM 894 CD1 LEU A1000 10.179 -2.576 -3.165 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.765 -3.496 -1.458 1.00 0.00 C ATOM 0 H LEU A1000 9.005 -3.104 0.653 1.00 0.00 H new ATOM 0 HA LEU A1000 11.633 -2.124 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A1000 9.197 -1.222 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.856 -0.801 -1.324 1.00 0.00 H new ATOM 0 HG LEU A1000 9.629 -3.594 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A1000 10.283 -3.496 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A1000 9.184 -2.160 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A1000 10.929 -1.856 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.847 -4.419 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.530 -2.794 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.905 -3.713 -0.399 1.00 0.00 H new ATOM 907 N ARG A1001 9.239 -0.041 1.615 1.00 0.00 N ATOM 908 CA ARG A1001 8.989 1.224 2.285 1.00 0.00 C ATOM 909 C ARG A1001 9.719 1.283 3.616 1.00 0.00 C ATOM 910 O ARG A1001 10.396 2.265 3.920 1.00 0.00 O ATOM 911 CB ARG A1001 7.484 1.394 2.511 1.00 0.00 C ATOM 912 CG ARG A1001 7.229 2.576 3.447 1.00 0.00 C ATOM 913 CD ARG A1001 5.739 2.921 3.462 1.00 0.00 C ATOM 914 NE ARG A1001 5.486 3.977 4.437 1.00 0.00 N ATOM 915 CZ ARG A1001 5.658 5.260 4.129 1.00 0.00 C ATOM 916 NH1 ARG A1001 6.015 5.599 2.922 1.00 0.00 N ATOM 917 NH2 ARG A1001 5.486 6.179 5.038 1.00 0.00 N ATOM 0 H ARG A1001 8.405 -0.596 1.423 1.00 0.00 H new ATOM 0 HA ARG A1001 9.359 2.032 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.981 1.558 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A1001 7.066 0.483 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.564 2.331 4.455 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.807 3.440 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A1001 5.421 3.245 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A1001 5.154 2.036 3.711 1.00 0.00 H new ATOM 0 HE ARG A1001 5.171 3.726 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A1001 6.163 4.881 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A1001 6.147 6.583 2.686 1.00 0.00 H new ATOM 0 HH21 ARG A1001 5.219 5.915 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A1001 5.618 7.162 4.801 1.00 0.00 H new ATOM 931 N ALA A1002 9.573 0.236 4.403 1.00 0.00 N ATOM 932 CA ALA A1002 10.217 0.195 5.697 1.00 0.00 C ATOM 933 C ALA A1002 11.725 0.298 5.529 1.00 0.00 C ATOM 934 O ALA A1002 12.422 0.833 6.389 1.00 0.00 O ATOM 935 CB ALA A1002 9.855 -1.104 6.422 1.00 0.00 C ATOM 0 H ALA A1002 9.020 -0.589 4.171 1.00 0.00 H new ATOM 0 HA ALA A1002 9.870 1.039 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.345 -1.126 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.775 -1.156 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.188 -1.956 5.829 1.00 0.00 H new ATOM 941 N LYS A1003 12.218 -0.216 4.408 1.00 0.00 N ATOM 942 CA LYS A1003 13.652 -0.166 4.130 1.00 0.00 C ATOM 943 C LYS A1003 14.111 1.269 3.869 1.00 0.00 C ATOM 944 O LYS A1003 15.195 1.668 4.291 1.00 0.00 O ATOM 945 CB LYS A1003 14.007 -1.058 2.928 1.00 0.00 C ATOM 946 CG LYS A1003 13.624 -2.539 3.224 1.00 0.00 C ATOM 947 CD LYS A1003 14.878 -3.430 3.286 1.00 0.00 C ATOM 948 CE LYS A1003 15.447 -3.658 1.880 1.00 0.00 C ATOM 949 NZ LYS A1003 16.400 -4.805 1.919 1.00 0.00 N ATOM 0 H LYS A1003 11.657 -0.666 3.685 1.00 0.00 H new ATOM 0 HA LYS A1003 14.173 -0.541 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.481 -0.709 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A1003 15.074 -0.986 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A1003 13.085 -2.597 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A1003 12.950 -2.906 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A1003 15.633 -2.962 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A1003 14.628 -4.388 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A1003 14.640 -3.863 1.177 1.00 0.00 H new ATOM 0 HE3 LYS A1003 15.954 -2.759 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 16.790 -4.965 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 17.175 -4.591 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.901 -5.660 2.237 1.00 0.00 H new ATOM 963 N ARG A1004 13.285 2.032 3.153 1.00 0.00 N ATOM 964 CA ARG A1004 13.624 3.419 2.823 1.00 0.00 C ATOM 965 C ARG A1004 14.025 4.208 4.067 1.00 0.00 C ATOM 966 O ARG A1004 14.535 5.323 3.955 1.00 0.00 O ATOM 967 CB ARG A1004 12.430 4.122 2.164 1.00 0.00 C ATOM 968 CG ARG A1004 12.082 3.482 0.809 1.00 0.00 C ATOM 969 CD ARG A1004 13.103 3.885 -0.264 1.00 0.00 C ATOM 970 NE ARG A1004 12.635 3.478 -1.585 1.00 0.00 N ATOM 971 CZ ARG A1004 13.471 3.427 -2.617 1.00 0.00 C ATOM 972 NH1 ARG A1004 14.719 3.779 -2.462 1.00 0.00 N ATOM 973 NH2 ARG A1004 13.042 3.042 -3.789 1.00 0.00 N ATOM 0 H ARG A1004 12.384 1.718 2.792 1.00 0.00 H new ATOM 0 HA ARG A1004 14.468 3.387 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A1004 11.565 4.071 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A1004 12.660 5.178 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A1004 12.062 2.397 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A1004 11.083 3.792 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A1004 13.258 4.964 -0.242 1.00 0.00 H new ATOM 0 HD3 ARG A1004 14.066 3.420 -0.052 1.00 0.00 H new ATOM 0 HE ARG A1004 11.655 3.230 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG A1004 15.051 4.092 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A1004 15.362 3.740 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A1004 12.064 2.780 -3.913 1.00 0.00 H new ATOM 0 HH22 ARG A1004 13.685 3.003 -4.580 1.00 0.00 H new ATOM 987 N LEU A1005 13.788 3.646 5.249 1.00 0.00 N ATOM 988 CA LEU A1005 14.131 4.353 6.480 1.00 0.00 C ATOM 989 C LEU A1005 15.630 4.616 6.538 1.00 0.00 C ATOM 990 O LEU A1005 16.063 5.711 6.898 1.00 0.00 O ATOM 991 CB LEU A1005 13.709 3.529 7.701 1.00 0.00 C ATOM 992 CG LEU A1005 12.177 3.430 7.774 1.00 0.00 C ATOM 993 CD1 LEU A1005 11.794 2.456 8.894 1.00 0.00 C ATOM 994 CD2 LEU A1005 11.558 4.816 8.062 1.00 0.00 C ATOM 0 H LEU A1005 13.370 2.725 5.381 1.00 0.00 H new ATOM 0 HA LEU A1005 13.600 5.305 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A1005 14.142 2.531 7.642 1.00 0.00 H new ATOM 0 HB3 LEU A1005 14.094 3.990 8.610 1.00 0.00 H new ATOM 0 HG LEU A1005 11.796 3.071 6.818 1.00 0.00 H new ATOM 0 HD11 LEU A1005 10.708 2.379 8.954 1.00 0.00 H new ATOM 0 HD12 LEU A1005 12.216 1.474 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A1005 12.185 2.822 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A1005 10.473 4.727 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A1005 11.934 5.192 9.014 1.00 0.00 H new ATOM 0 HD23 LEU A1005 11.830 5.509 7.266 1.00 0.00 H new ATOM 1006 N SER A1006 16.419 3.613 6.165 1.00 0.00 N ATOM 1007 CA SER A1006 17.870 3.757 6.168 1.00 0.00 C ATOM 1008 C SER A1006 18.304 4.809 5.154 1.00 0.00 C ATOM 1009 O SER A1006 17.628 4.954 4.150 1.00 0.00 O ATOM 1010 CB SER A1006 18.526 2.417 5.833 1.00 0.00 C ATOM 1011 OG SER A1006 18.307 1.509 6.904 1.00 0.00 O ATOM 0 H SER A1006 16.082 2.700 5.860 1.00 0.00 H new ATOM 0 HA SER A1006 18.185 4.076 7.161 1.00 0.00 H new ATOM 0 HB2 SER A1006 18.110 2.016 4.909 1.00 0.00 H new ATOM 0 HB3 SER A1006 19.595 2.553 5.668 1.00 0.00 H new ATOM 0 HG SER A1006 18.724 0.648 6.693 1.00 0.00 H new TER 1017 SER A1006