USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 971 THR OG1 : rot 154:sc= -3.02! USER MOD Set 1.2: A 974 GLN : amide:sc= -7.28! C(o=-10!,f=-9.7!) 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= -0.106! K(o=-0.11!,f=-1.7) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -173:sc= -0.645 (180deg=-0.804) USER MOD Single : A 973 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 979 LYS NZ :NH3+ 169:sc= -0.0127 (180deg=-0.16) USER MOD Single : A 984 SER OG : rot -33:sc= 0.65 USER MOD Single : A 987 SER OG : rot -37:sc= 0.599 USER MOD Single : A 991 SER OG : rot -154:sc= 1.14 USER MOD Single : A 992 GLN : amide:sc= -0.521 K(o=-0.52,f=-1.1) USER MOD Single : A 994 TYR OH : rot 180:sc= 0 USER MOD Single : A 995 ASN : amide:sc= -4.42! K(o=-4.4!,f=-0.77) USER MOD Single : A1003 LYS NZ :NH3+ -161:sc= -0.103 (180deg=-0.581) USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -16.934 16.534 9.237 1.00 0.00 N ATOM 2 CA GLY A 945 -17.921 15.898 10.155 1.00 0.00 C ATOM 3 C GLY A 945 -18.733 14.862 9.386 1.00 0.00 C ATOM 4 O GLY A 945 -19.408 14.021 9.982 1.00 0.00 O ATOM 0 HA2 GLY A 945 -17.405 15.425 10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -18.582 16.655 10.577 1.00 0.00 H new ATOM 7 N ALA A 946 -18.665 14.928 8.060 1.00 0.00 N ATOM 8 CA ALA A 946 -19.398 13.989 7.218 1.00 0.00 C ATOM 9 C ALA A 946 -18.663 12.655 7.131 1.00 0.00 C ATOM 10 O ALA A 946 -17.817 12.346 7.971 1.00 0.00 O ATOM 11 CB ALA A 946 -19.577 14.571 5.815 1.00 0.00 C ATOM 0 H ALA A 946 -18.114 15.617 7.548 1.00 0.00 H new ATOM 0 HA ALA A 946 -20.377 13.820 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -20.125 13.862 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -20.134 15.506 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -18.599 14.760 5.372 1.00 0.00 H new ATOM 17 N MET A 947 -18.997 11.869 6.112 1.00 0.00 N ATOM 18 CA MET A 947 -18.369 10.566 5.922 1.00 0.00 C ATOM 19 C MET A 947 -16.877 10.743 5.660 1.00 0.00 C ATOM 20 O MET A 947 -16.047 9.988 6.166 1.00 0.00 O ATOM 21 CB MET A 947 -19.010 9.860 4.725 1.00 0.00 C ATOM 22 CG MET A 947 -20.495 9.627 5.007 1.00 0.00 C ATOM 23 SD MET A 947 -21.242 8.735 3.620 1.00 0.00 S ATOM 24 CE MET A 947 -22.918 8.635 4.293 1.00 0.00 C ATOM 0 H MET A 947 -19.695 12.110 5.409 1.00 0.00 H new ATOM 0 HA MET A 947 -18.510 9.967 6.822 1.00 0.00 H new ATOM 0 HB2 MET A 947 -18.890 10.464 3.826 1.00 0.00 H new ATOM 0 HB3 MET A 947 -18.510 8.909 4.539 1.00 0.00 H new ATOM 0 HG2 MET A 947 -20.616 9.056 5.927 1.00 0.00 H new ATOM 0 HG3 MET A 947 -21.002 10.581 5.155 1.00 0.00 H new ATOM 0 HE1 MET A 947 -23.563 8.112 3.587 1.00 0.00 H new ATOM 0 HE2 MET A 947 -22.899 8.092 5.238 1.00 0.00 H new ATOM 0 HE3 MET A 947 -23.304 9.641 4.460 1.00 0.00 H new ATOM 34 N ALA A 948 -16.551 11.753 4.860 1.00 0.00 N ATOM 35 CA ALA A 948 -15.162 12.043 4.520 1.00 0.00 C ATOM 36 C ALA A 948 -14.443 10.789 4.031 1.00 0.00 C ATOM 37 O ALA A 948 -15.072 9.782 3.706 1.00 0.00 O ATOM 38 CB ALA A 948 -14.430 12.604 5.739 1.00 0.00 C ATOM 0 H ALA A 948 -17.230 12.385 4.435 1.00 0.00 H new ATOM 0 HA ALA A 948 -15.160 12.781 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -13.394 12.817 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -14.918 13.523 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -14.455 11.873 6.547 1.00 0.00 H new ATOM 44 N ILE A 949 -13.117 10.866 3.981 1.00 0.00 N ATOM 45 CA ILE A 949 -12.306 9.742 3.531 1.00 0.00 C ATOM 46 C ILE A 949 -12.393 8.579 4.515 1.00 0.00 C ATOM 47 O ILE A 949 -12.213 7.422 4.135 1.00 0.00 O ATOM 48 CB ILE A 949 -10.847 10.187 3.386 1.00 0.00 C ATOM 49 CG1 ILE A 949 -10.372 10.807 4.706 1.00 0.00 C ATOM 50 CG2 ILE A 949 -10.731 11.227 2.270 1.00 0.00 C ATOM 51 CD1 ILE A 949 -8.869 11.085 4.627 1.00 0.00 C ATOM 0 H ILE A 949 -12.583 11.693 4.246 1.00 0.00 H new ATOM 0 HA ILE A 949 -12.686 9.406 2.566 1.00 0.00 H new ATOM 0 HB ILE A 949 -10.230 9.323 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -10.914 11.732 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -10.585 10.132 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -9.692 11.540 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -11.070 10.791 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -11.349 12.092 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -8.531 11.526 5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -8.335 10.151 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -8.669 11.776 3.808 1.00 0.00 H new ATOM 63 N ALA A 950 -12.672 8.900 5.776 1.00 0.00 N ATOM 64 CA ALA A 950 -12.784 7.886 6.821 1.00 0.00 C ATOM 65 C ALA A 950 -11.411 7.356 7.213 1.00 0.00 C ATOM 66 O ALA A 950 -11.217 6.869 8.325 1.00 0.00 O ATOM 67 CB ALA A 950 -13.689 6.734 6.361 1.00 0.00 C ATOM 0 H ALA A 950 -12.825 9.855 6.099 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.234 8.353 7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.760 5.989 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -14.683 7.120 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -13.267 6.275 5.467 1.00 0.00 H new ATOM 73 N LEU A 951 -10.460 7.471 6.300 1.00 0.00 N ATOM 74 CA LEU A 951 -9.101 7.016 6.565 1.00 0.00 C ATOM 75 C LEU A 951 -8.358 8.046 7.415 1.00 0.00 C ATOM 76 O LEU A 951 -8.586 9.250 7.297 1.00 0.00 O ATOM 77 CB LEU A 951 -8.353 6.782 5.242 1.00 0.00 C ATOM 78 CG LEU A 951 -8.594 5.351 4.743 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.088 5.123 4.508 1.00 0.00 C ATOM 80 CD2 LEU A 951 -7.828 5.131 3.434 1.00 0.00 C ATOM 0 H LEU A 951 -10.601 7.873 5.373 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.146 6.075 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -8.691 7.498 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.286 6.950 5.385 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.241 4.646 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.249 4.105 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.630 5.273 5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.451 5.829 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -7.999 4.115 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.177 5.841 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -6.762 5.281 3.607 1.00 0.00 H new ATOM 92 N ARG A 952 -7.471 7.556 8.270 1.00 0.00 N ATOM 93 CA ARG A 952 -6.695 8.434 9.137 1.00 0.00 C ATOM 94 C ARG A 952 -5.643 9.187 8.333 1.00 0.00 C ATOM 95 O ARG A 952 -5.430 8.902 7.154 1.00 0.00 O ATOM 96 CB ARG A 952 -6.010 7.623 10.238 1.00 0.00 C ATOM 97 CG ARG A 952 -7.058 7.054 11.197 1.00 0.00 C ATOM 98 CD ARG A 952 -6.351 6.236 12.278 1.00 0.00 C ATOM 99 NE ARG A 952 -5.736 5.050 11.692 1.00 0.00 N ATOM 100 CZ ARG A 952 -4.972 4.243 12.419 1.00 0.00 C ATOM 101 NH1 ARG A 952 -4.791 4.484 13.689 1.00 0.00 N ATOM 102 NH2 ARG A 952 -4.411 3.203 11.865 1.00 0.00 N ATOM 0 H ARG A 952 -7.271 6.562 8.382 1.00 0.00 H new ATOM 0 HA ARG A 952 -7.378 9.153 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.430 6.812 9.797 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.310 8.255 10.784 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.631 7.862 11.651 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.765 6.428 10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -5.590 6.845 12.766 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -7.065 5.942 13.047 1.00 0.00 H new ATOM 0 HE ARG A 952 -5.896 4.837 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -5.236 5.292 14.123 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -4.204 3.864 14.247 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -4.560 3.011 10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -3.824 2.583 12.423 1.00 0.00 H new ATOM 116 N ASP A 953 -4.986 10.147 8.976 1.00 0.00 N ATOM 117 CA ASP A 953 -3.957 10.929 8.304 1.00 0.00 C ATOM 118 C ASP A 953 -2.846 10.008 7.808 1.00 0.00 C ATOM 119 O ASP A 953 -2.373 10.145 6.679 1.00 0.00 O ATOM 120 CB ASP A 953 -3.381 11.983 9.268 1.00 0.00 C ATOM 121 CG ASP A 953 -4.252 13.239 9.268 1.00 0.00 C ATOM 122 OD1 ASP A 953 -4.700 13.626 8.202 1.00 0.00 O ATOM 123 OD2 ASP A 953 -4.467 13.789 10.336 1.00 0.00 O ATOM 0 H ASP A 953 -5.146 10.400 9.951 1.00 0.00 H new ATOM 0 HA ASP A 953 -4.401 11.440 7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.326 11.571 10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -2.364 12.238 8.972 1.00 0.00 H new ATOM 128 N ASP A 954 -2.442 9.063 8.650 1.00 0.00 N ATOM 129 CA ASP A 954 -1.397 8.124 8.265 1.00 0.00 C ATOM 130 C ASP A 954 -1.911 7.220 7.149 1.00 0.00 C ATOM 131 O ASP A 954 -1.200 6.935 6.187 1.00 0.00 O ATOM 132 CB ASP A 954 -0.978 7.275 9.478 1.00 0.00 C ATOM 133 CG ASP A 954 0.073 8.013 10.307 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.292 8.945 11.004 1.00 0.00 O ATOM 135 OD2 ASP A 954 1.230 7.630 10.229 1.00 0.00 O ATOM 0 H ASP A 954 -2.816 8.928 9.589 1.00 0.00 H new ATOM 0 HA ASP A 954 -0.529 8.679 7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -1.849 7.056 10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.578 6.319 9.140 1.00 0.00 H new ATOM 140 N GLU A 955 -3.154 6.778 7.293 1.00 0.00 N ATOM 141 CA GLU A 955 -3.773 5.904 6.304 1.00 0.00 C ATOM 142 C GLU A 955 -3.957 6.624 4.976 1.00 0.00 C ATOM 143 O GLU A 955 -3.828 6.025 3.907 1.00 0.00 O ATOM 144 CB GLU A 955 -5.133 5.447 6.819 1.00 0.00 C ATOM 145 CG GLU A 955 -4.941 4.556 8.046 1.00 0.00 C ATOM 146 CD GLU A 955 -4.350 3.213 7.631 1.00 0.00 C ATOM 147 OE1 GLU A 955 -5.120 2.323 7.307 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.137 3.094 7.639 1.00 0.00 O ATOM 0 H GLU A 955 -3.753 7.010 8.085 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.120 5.046 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.745 6.311 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.664 4.901 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.282 5.047 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.897 4.402 8.547 1.00 0.00 H new ATOM 155 N TYR A 956 -4.273 7.908 5.049 1.00 0.00 N ATOM 156 CA TYR A 956 -4.487 8.704 3.849 1.00 0.00 C ATOM 157 C TYR A 956 -3.235 8.691 2.981 1.00 0.00 C ATOM 158 O TYR A 956 -3.310 8.490 1.769 1.00 0.00 O ATOM 159 CB TYR A 956 -4.838 10.138 4.245 1.00 0.00 C ATOM 160 CG TYR A 956 -4.959 10.998 3.009 1.00 0.00 C ATOM 161 CD1 TYR A 956 -6.105 10.918 2.209 1.00 0.00 C ATOM 162 CD2 TYR A 956 -3.925 11.883 2.663 1.00 0.00 C ATOM 163 CE1 TYR A 956 -6.220 11.719 1.067 1.00 0.00 C ATOM 164 CE2 TYR A 956 -4.040 12.683 1.520 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.188 12.600 0.721 1.00 0.00 C ATOM 166 OH TYR A 956 -5.302 13.388 -0.406 1.00 0.00 O ATOM 0 H TYR A 956 -4.387 8.420 5.924 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.311 8.277 3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -5.775 10.152 4.801 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.070 10.541 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -6.901 10.238 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -3.040 11.946 3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -7.106 11.658 0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -3.245 13.364 1.254 1.00 0.00 H new ATOM 0 HH TYR A 956 -4.499 13.942 -0.500 1.00 0.00 H new ATOM 176 N ASP A 957 -2.084 8.891 3.612 1.00 0.00 N ATOM 177 CA ASP A 957 -0.824 8.888 2.882 1.00 0.00 C ATOM 178 C ASP A 957 -0.557 7.510 2.282 1.00 0.00 C ATOM 179 O ASP A 957 -0.032 7.399 1.177 1.00 0.00 O ATOM 180 CB ASP A 957 0.333 9.288 3.805 1.00 0.00 C ATOM 181 CG ASP A 957 0.299 10.789 4.077 1.00 0.00 C ATOM 182 OD1 ASP A 957 -0.428 11.484 3.386 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.006 11.225 4.971 1.00 0.00 O ATOM 0 H ASP A 957 -1.998 9.055 4.615 1.00 0.00 H new ATOM 0 HA ASP A 957 -0.897 9.616 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 957 0.264 8.740 4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 957 1.284 9.016 3.346 1.00 0.00 H new ATOM 188 N GLU A 958 -0.919 6.463 3.015 1.00 0.00 N ATOM 189 CA GLU A 958 -0.706 5.101 2.534 1.00 0.00 C ATOM 190 C GLU A 958 -1.502 4.844 1.254 1.00 0.00 C ATOM 191 O GLU A 958 -0.976 4.285 0.296 1.00 0.00 O ATOM 192 CB GLU A 958 -1.125 4.097 3.611 1.00 0.00 C ATOM 193 CG GLU A 958 -0.148 4.175 4.787 1.00 0.00 C ATOM 194 CD GLU A 958 -0.643 3.291 5.926 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.642 2.617 5.734 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.020 3.303 6.975 1.00 0.00 O ATOM 0 H GLU A 958 -1.356 6.528 3.934 1.00 0.00 H new ATOM 0 HA GLU A 958 0.354 4.978 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -2.138 4.313 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.135 3.088 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 958 0.844 3.854 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 958 -0.056 5.206 5.128 1.00 0.00 H new ATOM 203 N TRP A 959 -2.768 5.254 1.243 1.00 0.00 N ATOM 204 CA TRP A 959 -3.606 5.053 0.065 1.00 0.00 C ATOM 205 C TRP A 959 -3.087 5.889 -1.110 1.00 0.00 C ATOM 206 O TRP A 959 -2.933 5.384 -2.217 1.00 0.00 O ATOM 207 CB TRP A 959 -5.058 5.405 0.409 1.00 0.00 C ATOM 208 CG TRP A 959 -5.898 5.488 -0.824 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.077 4.503 -1.731 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.690 6.618 -1.280 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.935 4.960 -2.719 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.339 6.261 -2.483 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.902 7.903 -0.762 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.173 7.154 -3.153 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.739 8.808 -1.429 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.376 8.435 -2.624 1.00 0.00 C ATOM 0 H TRP A 959 -3.230 5.720 2.024 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.567 4.007 -0.238 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.468 4.652 1.082 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.089 6.357 0.939 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.626 3.522 -1.693 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.232 4.405 -3.521 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.417 8.198 0.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.659 6.861 -4.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.895 9.796 -1.022 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.021 9.135 -3.134 1.00 0.00 H new ATOM 227 N GLN A 960 -2.794 7.161 -0.876 1.00 0.00 N ATOM 228 CA GLN A 960 -2.279 7.999 -1.958 1.00 0.00 C ATOM 229 C GLN A 960 -0.940 7.463 -2.452 1.00 0.00 C ATOM 230 O GLN A 960 -0.664 7.443 -3.656 1.00 0.00 O ATOM 231 CB GLN A 960 -2.107 9.448 -1.487 1.00 0.00 C ATOM 232 CG GLN A 960 -3.478 10.086 -1.235 1.00 0.00 C ATOM 233 CD GLN A 960 -4.245 10.212 -2.547 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.820 10.935 -3.449 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.345 9.533 -2.720 1.00 0.00 N ATOM 0 H GLN A 960 -2.899 7.628 0.025 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.000 7.976 -2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.512 9.474 -0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.563 10.021 -2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.046 9.480 -0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.353 11.069 -0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.697 8.934 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.853 9.601 -3.602 1.00 0.00 H new ATOM 244 N ASP A 961 -0.120 7.029 -1.515 1.00 0.00 N ATOM 245 CA ASP A 961 1.189 6.495 -1.845 1.00 0.00 C ATOM 246 C ASP A 961 1.060 5.206 -2.649 1.00 0.00 C ATOM 247 O ASP A 961 1.865 4.945 -3.545 1.00 0.00 O ATOM 248 CB ASP A 961 1.983 6.231 -0.565 1.00 0.00 C ATOM 249 CG ASP A 961 2.401 7.556 0.065 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.706 8.472 -0.679 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.406 7.634 1.283 1.00 0.00 O ATOM 0 H ASP A 961 -0.336 7.035 -0.518 1.00 0.00 H new ATOM 0 HA ASP A 961 1.717 7.230 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.378 5.658 0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.864 5.630 -0.790 1.00 0.00 H new ATOM 256 N ILE A 962 0.050 4.397 -2.332 1.00 0.00 N ATOM 257 CA ILE A 962 -0.138 3.142 -3.051 1.00 0.00 C ATOM 258 C ILE A 962 -0.548 3.452 -4.486 1.00 0.00 C ATOM 259 O ILE A 962 -0.137 2.768 -5.424 1.00 0.00 O ATOM 260 CB ILE A 962 -1.180 2.232 -2.329 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.732 0.754 -2.416 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.581 2.362 -2.969 1.00 0.00 C ATOM 263 CD1 ILE A 962 0.292 0.449 -1.312 1.00 0.00 C ATOM 0 H ILE A 962 -0.635 4.583 -1.599 1.00 0.00 H new ATOM 0 HA ILE A 962 0.799 2.585 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 962 -1.237 2.553 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -1.596 0.097 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 962 -0.294 0.555 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -3.283 1.715 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.918 3.396 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.531 2.066 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 962 0.602 -0.594 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 962 1.162 1.095 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -0.160 0.629 -0.337 1.00 0.00 H new ATOM 275 N ILE A 963 -1.355 4.501 -4.645 1.00 0.00 N ATOM 276 CA ILE A 963 -1.804 4.899 -5.966 1.00 0.00 C ATOM 277 C ILE A 963 -0.593 5.285 -6.798 1.00 0.00 C ATOM 278 O ILE A 963 -0.463 4.888 -7.954 1.00 0.00 O ATOM 279 CB ILE A 963 -2.781 6.078 -5.865 1.00 0.00 C ATOM 280 CG1 ILE A 963 -4.095 5.580 -5.258 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.029 6.672 -7.261 1.00 0.00 C ATOM 282 CD1 ILE A 963 -5.040 6.756 -4.985 1.00 0.00 C ATOM 0 H ILE A 963 -1.704 5.080 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.326 4.069 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.359 6.857 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.571 4.873 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.894 5.044 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.723 7.509 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.086 7.022 -7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.454 5.908 -7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.969 6.384 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.568 7.448 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.256 7.274 -5.920 1.00 0.00 H new ATOM 294 N ARG A 964 0.309 6.033 -6.180 1.00 0.00 N ATOM 295 CA ARG A 964 1.532 6.436 -6.854 1.00 0.00 C ATOM 296 C ARG A 964 2.336 5.198 -7.243 1.00 0.00 C ATOM 297 O ARG A 964 2.905 5.129 -8.332 1.00 0.00 O ATOM 298 CB ARG A 964 2.362 7.335 -5.932 1.00 0.00 C ATOM 299 CG ARG A 964 3.626 7.803 -6.660 1.00 0.00 C ATOM 300 CD ARG A 964 4.413 8.741 -5.743 1.00 0.00 C ATOM 301 NE ARG A 964 5.610 9.230 -6.422 1.00 0.00 N ATOM 302 CZ ARG A 964 6.735 8.521 -6.433 1.00 0.00 C ATOM 303 NH1 ARG A 964 6.773 7.347 -5.866 1.00 0.00 N ATOM 304 NH2 ARG A 964 7.799 8.993 -7.023 1.00 0.00 N ATOM 0 H ARG A 964 0.218 6.370 -5.222 1.00 0.00 H new ATOM 0 HA ARG A 964 1.280 6.994 -7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.771 8.196 -5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.633 6.791 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.240 6.946 -6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.360 8.316 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 964 3.786 9.582 -5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.694 8.216 -4.830 1.00 0.00 H new ATOM 0 HE ARG A 964 5.583 10.132 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.939 6.972 -5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 964 7.636 6.804 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 964 7.768 9.906 -7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 964 8.662 8.449 -7.031 1.00 0.00 H new ATOM 318 N ASP A 965 2.378 4.229 -6.333 1.00 0.00 N ATOM 319 CA ASP A 965 3.117 2.991 -6.563 1.00 0.00 C ATOM 320 C ASP A 965 2.600 2.229 -7.788 1.00 0.00 C ATOM 321 O ASP A 965 3.392 1.749 -8.599 1.00 0.00 O ATOM 322 CB ASP A 965 2.999 2.093 -5.331 1.00 0.00 C ATOM 323 CG ASP A 965 3.951 0.909 -5.452 1.00 0.00 C ATOM 324 OD1 ASP A 965 3.551 -0.092 -6.024 1.00 0.00 O ATOM 325 OD2 ASP A 965 5.064 1.016 -4.965 1.00 0.00 O ATOM 0 H ASP A 965 1.909 4.277 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 965 4.157 3.258 -6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.229 2.664 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 965 1.974 1.736 -5.228 1.00 0.00 H new ATOM 330 N TRP A 966 1.278 2.101 -7.910 1.00 0.00 N ATOM 331 CA TRP A 966 0.701 1.368 -9.039 1.00 0.00 C ATOM 332 C TRP A 966 0.722 2.207 -10.315 1.00 0.00 C ATOM 333 O TRP A 966 0.327 1.735 -11.382 1.00 0.00 O ATOM 334 CB TRP A 966 -0.749 0.972 -8.752 1.00 0.00 C ATOM 335 CG TRP A 966 -0.882 0.349 -7.401 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.630 0.849 -6.395 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.298 -0.889 -6.898 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.540 0.005 -5.304 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.726 -1.081 -5.565 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.557 -1.851 -7.468 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.322 -2.189 -4.823 1.00 0.00 C ATOM 342 CZ3 TRP A 966 0.966 -2.967 -6.723 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.527 -3.135 -5.402 1.00 0.00 C ATOM 0 H TRP A 966 0.598 2.487 -7.255 1.00 0.00 H new ATOM 0 HA TRP A 966 1.310 0.475 -9.178 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.388 1.853 -8.814 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -1.095 0.273 -9.513 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -2.206 1.762 -6.436 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -2.016 0.164 -4.416 1.00 0.00 H new ATOM 0 HE3 TRP A 966 0.900 -1.729 -8.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.663 -2.316 -3.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 1.622 -3.700 -7.169 1.00 0.00 H new ATOM 0 HH2 TRP A 966 0.845 -3.996 -4.832 1.00 0.00 H new ATOM 354 N ARG A 967 1.173 3.447 -10.201 1.00 0.00 N ATOM 355 CA ARG A 967 1.229 4.344 -11.352 1.00 0.00 C ATOM 356 C ARG A 967 -0.135 4.453 -12.038 1.00 0.00 C ATOM 357 O ARG A 967 -0.226 4.882 -13.188 1.00 0.00 O ATOM 358 CB ARG A 967 2.274 3.853 -12.355 1.00 0.00 C ATOM 359 CG ARG A 967 3.660 3.916 -11.713 1.00 0.00 C ATOM 360 CD ARG A 967 4.720 3.466 -12.721 1.00 0.00 C ATOM 361 NE ARG A 967 4.950 4.525 -13.700 1.00 0.00 N ATOM 362 CZ ARG A 967 5.743 5.555 -13.419 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.351 5.611 -12.266 1.00 0.00 N ATOM 364 NH2 ARG A 967 5.918 6.504 -14.296 1.00 0.00 N ATOM 0 H ARG A 967 1.505 3.857 -9.328 1.00 0.00 H new ATOM 0 HA ARG A 967 1.511 5.333 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.049 2.832 -12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.249 4.468 -13.254 1.00 0.00 H new ATOM 0 HG2 ARG A 967 3.870 4.932 -11.380 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.691 3.278 -10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 967 5.649 3.228 -12.204 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.393 2.556 -13.225 1.00 0.00 H new ATOM 0 HE ARG A 967 4.496 4.474 -14.612 1.00 0.00 H new ATOM 0 HH11 ARG A 967 6.218 4.866 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 967 6.960 6.400 -12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 967 5.446 6.457 -15.199 1.00 0.00 H new ATOM 0 HH22 ARG A 967 6.527 7.293 -14.079 1.00 0.00 H new ATOM 378 N LYS A 968 -1.196 4.092 -11.314 1.00 0.00 N ATOM 379 CA LYS A 968 -2.559 4.185 -11.848 1.00 0.00 C ATOM 380 C LYS A 968 -3.537 4.542 -10.733 1.00 0.00 C ATOM 381 O LYS A 968 -3.352 4.148 -9.580 1.00 0.00 O ATOM 382 CB LYS A 968 -2.983 2.873 -12.527 1.00 0.00 C ATOM 383 CG LYS A 968 -3.005 1.726 -11.517 1.00 0.00 C ATOM 384 CD LYS A 968 -3.482 0.446 -12.215 1.00 0.00 C ATOM 385 CE LYS A 968 -3.505 -0.712 -11.216 1.00 0.00 C ATOM 386 NZ LYS A 968 -4.043 -1.931 -11.879 1.00 0.00 N ATOM 0 H LYS A 968 -1.140 3.734 -10.361 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.573 4.973 -12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.971 2.991 -12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -2.293 2.638 -13.338 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.010 1.576 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.668 1.970 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -4.477 0.598 -12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.820 0.207 -13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -2.499 -0.903 -10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.121 -0.451 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -4.058 -2.718 -11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -5.009 -1.745 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -3.438 -2.183 -12.686 1.00 0.00 H new ATOM 400 N GLU A 969 -4.566 5.303 -11.083 1.00 0.00 N ATOM 401 CA GLU A 969 -5.562 5.728 -10.106 1.00 0.00 C ATOM 402 C GLU A 969 -6.499 4.586 -9.713 1.00 0.00 C ATOM 403 O GLU A 969 -6.961 3.822 -10.559 1.00 0.00 O ATOM 404 CB GLU A 969 -6.374 6.897 -10.679 1.00 0.00 C ATOM 405 CG GLU A 969 -7.190 6.414 -11.880 1.00 0.00 C ATOM 406 CD GLU A 969 -7.886 7.592 -12.556 1.00 0.00 C ATOM 407 OE1 GLU A 969 -7.274 8.643 -12.651 1.00 0.00 O ATOM 408 OE2 GLU A 969 -9.020 7.421 -12.972 1.00 0.00 O ATOM 0 H GLU A 969 -4.733 5.638 -12.032 1.00 0.00 H new ATOM 0 HA GLU A 969 -5.036 6.045 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -7.037 7.302 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -5.706 7.704 -10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -6.537 5.911 -12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.930 5.683 -11.555 1.00 0.00 H new ATOM 415 N MET A 970 -6.779 4.494 -8.413 1.00 0.00 N ATOM 416 CA MET A 970 -7.676 3.470 -7.883 1.00 0.00 C ATOM 417 C MET A 970 -8.365 4.006 -6.632 1.00 0.00 C ATOM 418 O MET A 970 -7.842 4.895 -5.958 1.00 0.00 O ATOM 419 CB MET A 970 -6.907 2.184 -7.553 1.00 0.00 C ATOM 420 CG MET A 970 -5.687 2.520 -6.701 1.00 0.00 C ATOM 421 SD MET A 970 -4.921 0.988 -6.103 1.00 0.00 S ATOM 422 CE MET A 970 -5.496 1.074 -4.389 1.00 0.00 C ATOM 0 H MET A 970 -6.395 5.120 -7.705 1.00 0.00 H new ATOM 0 HA MET A 970 -8.423 3.229 -8.640 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.555 1.488 -7.020 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.595 1.689 -8.473 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.968 3.093 -7.287 1.00 0.00 H new ATOM 0 HG3 MET A 970 -5.981 3.145 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 970 -5.029 0.279 -3.808 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.227 2.041 -3.963 1.00 0.00 H new ATOM 0 HE3 MET A 970 -6.579 0.954 -4.362 1.00 0.00 H new ATOM 432 N THR A 971 -9.548 3.485 -6.336 1.00 0.00 N ATOM 433 CA THR A 971 -10.307 3.950 -5.177 1.00 0.00 C ATOM 434 C THR A 971 -9.803 3.335 -3.876 1.00 0.00 C ATOM 435 O THR A 971 -9.058 2.356 -3.877 1.00 0.00 O ATOM 436 CB THR A 971 -11.783 3.588 -5.340 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.927 2.174 -5.339 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.318 4.157 -6.654 1.00 0.00 C ATOM 0 H THR A 971 -10.002 2.747 -6.875 1.00 0.00 H new ATOM 0 HA THR A 971 -10.176 5.031 -5.125 1.00 0.00 H new ATOM 0 HB THR A 971 -12.350 4.013 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.826 1.937 -5.030 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.370 3.895 -6.762 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.213 5.242 -6.650 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.753 3.741 -7.488 1.00 0.00 H new ATOM 446 N VAL A 972 -10.253 3.914 -2.769 1.00 0.00 N ATOM 447 CA VAL A 972 -9.895 3.429 -1.444 1.00 0.00 C ATOM 448 C VAL A 972 -10.423 2.009 -1.265 1.00 0.00 C ATOM 449 O VAL A 972 -9.731 1.134 -0.750 1.00 0.00 O ATOM 450 CB VAL A 972 -10.506 4.353 -0.375 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.516 3.652 1.000 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.677 5.643 -0.294 1.00 0.00 C ATOM 0 H VAL A 972 -10.871 4.726 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.810 3.426 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.534 4.590 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -10.951 4.318 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.109 2.740 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.495 3.402 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.104 6.303 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.650 5.399 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.688 6.144 -1.262 1.00 0.00 H new ATOM 462 N GLN A 973 -11.659 1.788 -1.691 1.00 0.00 N ATOM 463 CA GLN A 973 -12.259 0.474 -1.563 1.00 0.00 C ATOM 464 C GLN A 973 -11.339 -0.584 -2.155 1.00 0.00 C ATOM 465 O GLN A 973 -11.087 -1.618 -1.537 1.00 0.00 O ATOM 466 CB GLN A 973 -13.605 0.454 -2.289 1.00 0.00 C ATOM 467 CG GLN A 973 -14.660 1.173 -1.445 1.00 0.00 C ATOM 468 CD GLN A 973 -15.965 1.289 -2.224 1.00 0.00 C ATOM 469 OE1 GLN A 973 -16.765 0.354 -2.242 1.00 0.00 O ATOM 470 NE2 GLN A 973 -16.235 2.393 -2.868 1.00 0.00 N ATOM 0 H GLN A 973 -12.256 2.493 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.412 0.254 -0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.512 0.939 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.913 -0.575 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -14.829 0.626 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.302 2.165 -1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -15.572 3.168 -2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -17.109 2.480 -3.386 1.00 0.00 H new ATOM 479 N GLN A 974 -10.830 -0.314 -3.348 1.00 0.00 N ATOM 480 CA GLN A 974 -9.928 -1.242 -4.011 1.00 0.00 C ATOM 481 C GLN A 974 -8.749 -1.554 -3.088 1.00 0.00 C ATOM 482 O GLN A 974 -8.373 -2.714 -2.915 1.00 0.00 O ATOM 483 CB GLN A 974 -9.432 -0.613 -5.323 1.00 0.00 C ATOM 484 CG GLN A 974 -10.422 -0.891 -6.462 1.00 0.00 C ATOM 485 CD GLN A 974 -11.850 -0.540 -6.046 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.352 -1.041 -5.040 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.545 0.287 -6.778 1.00 0.00 N ATOM 0 H GLN A 974 -11.026 0.537 -3.875 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.450 -2.172 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.310 0.462 -5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.452 -1.016 -5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -10.143 -0.310 -7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.370 -1.942 -6.745 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -12.130 0.703 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.503 0.518 -6.516 1.00 0.00 H new ATOM 496 N PHE A 975 -8.190 -0.513 -2.474 1.00 0.00 N ATOM 497 CA PHE A 975 -7.078 -0.694 -1.548 1.00 0.00 C ATOM 498 C PHE A 975 -7.517 -1.562 -0.374 1.00 0.00 C ATOM 499 O PHE A 975 -6.799 -2.465 0.049 1.00 0.00 O ATOM 500 CB PHE A 975 -6.580 0.669 -1.038 1.00 0.00 C ATOM 501 CG PHE A 975 -5.616 0.474 0.114 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.326 -0.009 -0.128 1.00 0.00 C ATOM 503 CD2 PHE A 975 -6.019 0.777 1.424 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.435 -0.187 0.937 1.00 0.00 C ATOM 505 CE2 PHE A 975 -5.126 0.598 2.488 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.834 0.117 2.243 1.00 0.00 C ATOM 0 H PHE A 975 -8.486 0.455 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.261 -1.190 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.088 1.211 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.426 1.276 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.017 -0.245 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -7.016 1.148 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.439 -0.559 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.434 0.831 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.145 -0.019 3.063 1.00 0.00 H new ATOM 516 N LEU A 976 -8.694 -1.273 0.160 1.00 0.00 N ATOM 517 CA LEU A 976 -9.202 -2.027 1.287 1.00 0.00 C ATOM 518 C LEU A 976 -9.362 -3.494 0.905 1.00 0.00 C ATOM 519 O LEU A 976 -9.004 -4.389 1.658 1.00 0.00 O ATOM 520 CB LEU A 976 -10.542 -1.431 1.720 1.00 0.00 C ATOM 521 CG LEU A 976 -10.853 -1.824 3.170 1.00 0.00 C ATOM 522 CD1 LEU A 976 -12.034 -0.996 3.687 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.182 -3.333 3.260 1.00 0.00 C ATOM 0 H LEU A 976 -9.308 -0.528 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.499 -1.969 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.512 -0.345 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.335 -1.785 1.062 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.977 -1.623 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -12.252 -1.277 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -11.781 0.063 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -12.910 -1.184 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.400 -3.597 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -12.050 -3.554 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -10.328 -3.913 2.910 1.00 0.00 H new ATOM 535 N ASP A 977 -9.876 -3.745 -0.279 1.00 0.00 N ATOM 536 CA ASP A 977 -10.031 -5.120 -0.724 1.00 0.00 C ATOM 537 C ASP A 977 -8.654 -5.775 -0.826 1.00 0.00 C ATOM 538 O ASP A 977 -8.489 -6.962 -0.534 1.00 0.00 O ATOM 539 CB ASP A 977 -10.731 -5.161 -2.085 1.00 0.00 C ATOM 540 CG ASP A 977 -11.259 -6.566 -2.365 1.00 0.00 C ATOM 541 OD1 ASP A 977 -11.616 -7.246 -1.416 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.296 -6.941 -3.525 1.00 0.00 O ATOM 0 H ASP A 977 -10.189 -3.035 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.642 -5.664 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.553 -4.446 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -10.035 -4.863 -2.869 1.00 0.00 H new ATOM 547 N LEU A 978 -7.662 -4.984 -1.244 1.00 0.00 N ATOM 548 CA LEU A 978 -6.295 -5.485 -1.387 1.00 0.00 C ATOM 549 C LEU A 978 -5.677 -5.845 -0.037 1.00 0.00 C ATOM 550 O LEU A 978 -5.061 -6.903 0.105 1.00 0.00 O ATOM 551 CB LEU A 978 -5.433 -4.437 -2.111 1.00 0.00 C ATOM 552 CG LEU A 978 -3.946 -4.830 -2.098 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.746 -6.215 -2.718 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.158 -3.797 -2.907 1.00 0.00 C ATOM 0 H LEU A 978 -7.780 -4.001 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.330 -6.399 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.774 -4.331 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.559 -3.466 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.594 -4.858 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.687 -6.473 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.310 -6.954 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.098 -6.206 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -2.101 -4.064 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.527 -3.780 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.284 -2.811 -2.459 1.00 0.00 H new ATOM 566 N LYS A 979 -5.834 -4.974 0.958 1.00 0.00 N ATOM 567 CA LYS A 979 -5.271 -5.243 2.267 1.00 0.00 C ATOM 568 C LYS A 979 -5.986 -6.433 2.896 1.00 0.00 C ATOM 569 O LYS A 979 -5.360 -7.307 3.477 1.00 0.00 O ATOM 570 CB LYS A 979 -5.366 -3.972 3.143 1.00 0.00 C ATOM 571 CG LYS A 979 -6.679 -3.928 3.925 1.00 0.00 C ATOM 572 CD LYS A 979 -6.820 -2.569 4.611 1.00 0.00 C ATOM 573 CE LYS A 979 -7.994 -2.601 5.589 1.00 0.00 C ATOM 574 NZ LYS A 979 -8.401 -1.206 5.921 1.00 0.00 N ATOM 0 H LYS A 979 -6.339 -4.091 0.880 1.00 0.00 H new ATOM 0 HA LYS A 979 -4.216 -5.503 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.526 -3.944 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -5.287 -3.087 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.520 -4.097 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.699 -4.726 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.900 -2.322 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.977 -1.790 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -8.833 -3.141 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -7.711 -3.135 6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -9.307 -1.221 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -7.673 -0.765 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -8.507 -0.657 5.044 1.00 0.00 H new ATOM 588 N GLU A 980 -7.303 -6.475 2.768 1.00 0.00 N ATOM 589 CA GLU A 980 -8.056 -7.583 3.335 1.00 0.00 C ATOM 590 C GLU A 980 -7.535 -8.908 2.781 1.00 0.00 C ATOM 591 O GLU A 980 -7.228 -9.835 3.536 1.00 0.00 O ATOM 592 CB GLU A 980 -9.541 -7.438 2.993 1.00 0.00 C ATOM 593 CG GLU A 980 -10.334 -8.578 3.639 1.00 0.00 C ATOM 594 CD GLU A 980 -11.826 -8.376 3.390 1.00 0.00 C ATOM 595 OE1 GLU A 980 -12.160 -7.507 2.601 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.610 -9.095 3.987 1.00 0.00 O ATOM 0 H GLU A 980 -7.863 -5.771 2.287 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.932 -7.571 4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.913 -6.477 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.678 -7.454 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -10.014 -9.535 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -10.136 -8.610 4.710 1.00 0.00 H new ATOM 603 N ARG A 981 -7.438 -8.991 1.458 1.00 0.00 N ATOM 604 CA ARG A 981 -6.958 -10.211 0.821 1.00 0.00 C ATOM 605 C ARG A 981 -5.512 -10.515 1.205 1.00 0.00 C ATOM 606 O ARG A 981 -5.184 -11.646 1.564 1.00 0.00 O ATOM 607 CB ARG A 981 -7.059 -10.079 -0.701 1.00 0.00 C ATOM 608 CG ARG A 981 -8.529 -10.121 -1.122 1.00 0.00 C ATOM 609 CD ARG A 981 -8.629 -9.985 -2.644 1.00 0.00 C ATOM 610 NE ARG A 981 -10.026 -10.000 -3.059 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.372 -9.781 -4.324 1.00 0.00 C ATOM 612 NH1 ARG A 981 -9.456 -9.524 -5.217 1.00 0.00 N ATOM 613 NH2 ARG A 981 -11.628 -9.824 -4.671 1.00 0.00 N ATOM 0 H ARG A 981 -7.682 -8.239 0.814 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.584 -11.033 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.603 -9.144 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.509 -10.886 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.984 -11.057 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -9.080 -9.315 -0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.156 -9.057 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -8.090 -10.801 -3.126 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.752 -10.182 -2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.474 -9.491 -4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -9.722 -9.356 -6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.343 -10.025 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -11.895 -9.656 -5.641 1.00 0.00 H new ATOM 627 N ALA A 982 -4.647 -9.509 1.121 1.00 0.00 N ATOM 628 CA ALA A 982 -3.236 -9.701 1.449 1.00 0.00 C ATOM 629 C ALA A 982 -3.070 -10.150 2.889 1.00 0.00 C ATOM 630 O ALA A 982 -2.368 -11.120 3.168 1.00 0.00 O ATOM 631 CB ALA A 982 -2.465 -8.400 1.236 1.00 0.00 C ATOM 0 H ALA A 982 -4.893 -8.562 0.832 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.841 -10.475 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.415 -8.555 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.551 -8.093 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.878 -7.623 1.879 1.00 0.00 H new ATOM 637 N LEU A 983 -3.711 -9.433 3.798 1.00 0.00 N ATOM 638 CA LEU A 983 -3.610 -9.770 5.197 1.00 0.00 C ATOM 639 C LEU A 983 -4.265 -11.125 5.466 1.00 0.00 C ATOM 640 O LEU A 983 -3.951 -11.787 6.457 1.00 0.00 O ATOM 641 CB LEU A 983 -4.249 -8.672 6.069 1.00 0.00 C ATOM 642 CG LEU A 983 -3.239 -7.545 6.347 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.546 -7.087 5.057 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.971 -6.367 6.997 1.00 0.00 C ATOM 0 H LEU A 983 -4.298 -8.625 3.590 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.555 -9.839 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -5.126 -8.265 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.591 -9.101 7.011 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.469 -7.923 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.839 -6.290 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -2.014 -7.928 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.293 -6.717 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -3.262 -5.564 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.748 -6.005 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.425 -6.692 7.933 1.00 0.00 H new ATOM 656 N SER A 984 -5.177 -11.535 4.584 1.00 0.00 N ATOM 657 CA SER A 984 -5.861 -12.816 4.751 1.00 0.00 C ATOM 658 C SER A 984 -4.961 -13.966 4.299 1.00 0.00 C ATOM 659 O SER A 984 -5.331 -15.134 4.410 1.00 0.00 O ATOM 660 CB SER A 984 -7.156 -12.837 3.939 1.00 0.00 C ATOM 661 OG SER A 984 -7.803 -14.090 4.130 1.00 0.00 O ATOM 0 H SER A 984 -5.456 -11.006 3.757 1.00 0.00 H new ATOM 0 HA SER A 984 -6.096 -12.940 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.810 -12.024 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.940 -12.682 2.882 1.00 0.00 H new ATOM 0 HG SER A 984 -7.129 -14.792 4.245 1.00 0.00 H new ATOM 667 N GLY A 985 -3.773 -13.628 3.805 1.00 0.00 N ATOM 668 CA GLY A 985 -2.815 -14.640 3.356 1.00 0.00 C ATOM 669 C GLY A 985 -2.934 -14.932 1.860 1.00 0.00 C ATOM 670 O GLY A 985 -2.607 -16.033 1.414 1.00 0.00 O ATOM 0 H GLY A 985 -3.449 -12.666 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.803 -14.302 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.974 -15.561 3.917 1.00 0.00 H new ATOM 674 N ALA A 986 -3.386 -13.954 1.083 1.00 0.00 N ATOM 675 CA ALA A 986 -3.512 -14.155 -0.359 1.00 0.00 C ATOM 676 C ALA A 986 -2.141 -14.201 -1.005 1.00 0.00 C ATOM 677 O ALA A 986 -1.218 -13.513 -0.568 1.00 0.00 O ATOM 678 CB ALA A 986 -4.313 -13.026 -1.001 1.00 0.00 C ATOM 0 H ALA A 986 -3.667 -13.032 1.416 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.032 -15.100 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.392 -13.200 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.311 -12.994 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.809 -12.076 -0.824 1.00 0.00 H new ATOM 684 N SER A 987 -2.012 -14.998 -2.059 1.00 0.00 N ATOM 685 CA SER A 987 -0.747 -15.101 -2.772 1.00 0.00 C ATOM 686 C SER A 987 -0.787 -14.237 -4.023 1.00 0.00 C ATOM 687 O SER A 987 0.197 -14.141 -4.758 1.00 0.00 O ATOM 688 CB SER A 987 -0.470 -16.556 -3.157 1.00 0.00 C ATOM 689 OG SER A 987 0.813 -16.646 -3.760 1.00 0.00 O ATOM 0 H SER A 987 -2.762 -15.578 -2.436 1.00 0.00 H new ATOM 0 HA SER A 987 0.052 -14.752 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 987 -0.515 -17.193 -2.273 1.00 0.00 H new ATOM 0 HB3 SER A 987 -1.235 -16.914 -3.847 1.00 0.00 H new ATOM 0 HG SER A 987 0.970 -15.854 -4.315 1.00 0.00 H new ATOM 695 N ASP A 988 -1.937 -13.609 -4.260 1.00 0.00 N ATOM 696 CA ASP A 988 -2.103 -12.747 -5.429 1.00 0.00 C ATOM 697 C ASP A 988 -0.844 -11.902 -5.637 1.00 0.00 C ATOM 698 O ASP A 988 -0.167 -11.562 -4.670 1.00 0.00 O ATOM 699 CB ASP A 988 -3.314 -11.827 -5.224 1.00 0.00 C ATOM 700 CG ASP A 988 -4.608 -12.598 -5.465 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.779 -13.099 -6.564 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.410 -12.675 -4.548 1.00 0.00 O ATOM 0 H ASP A 988 -2.762 -13.680 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.265 -13.368 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.306 -11.423 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.255 -10.979 -5.906 1.00 0.00 H new ATOM 707 N PRO A 989 -0.512 -11.559 -6.854 1.00 0.00 N ATOM 708 CA PRO A 989 0.711 -10.747 -7.136 1.00 0.00 C ATOM 709 C PRO A 989 0.642 -9.393 -6.436 1.00 0.00 C ATOM 710 O PRO A 989 1.662 -8.821 -6.045 1.00 0.00 O ATOM 711 CB PRO A 989 0.722 -10.610 -8.670 1.00 0.00 C ATOM 712 CG PRO A 989 -0.682 -10.896 -9.104 1.00 0.00 C ATOM 713 CD PRO A 989 -1.245 -11.881 -8.082 1.00 0.00 C ATOM 0 HA PRO A 989 1.625 -11.209 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.031 -9.610 -8.973 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.424 -11.311 -9.122 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.275 -9.982 -9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.701 -11.321 -10.108 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.320 -11.754 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.081 -12.914 -8.388 1.00 0.00 H new ATOM 721 N ASP A 990 -0.570 -8.898 -6.264 1.00 0.00 N ATOM 722 CA ASP A 990 -0.773 -7.626 -5.591 1.00 0.00 C ATOM 723 C ASP A 990 -0.499 -7.757 -4.092 1.00 0.00 C ATOM 724 O ASP A 990 -0.031 -6.813 -3.460 1.00 0.00 O ATOM 725 CB ASP A 990 -2.205 -7.140 -5.819 1.00 0.00 C ATOM 726 CG ASP A 990 -2.393 -6.756 -7.283 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.481 -6.169 -7.842 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.442 -7.059 -7.825 1.00 0.00 O ATOM 0 H ASP A 990 -1.426 -9.354 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.075 -6.899 -6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.912 -7.923 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.414 -6.283 -5.179 1.00 0.00 H new ATOM 733 N SER A 991 -0.799 -8.927 -3.523 1.00 0.00 N ATOM 734 CA SER A 991 -0.576 -9.145 -2.096 1.00 0.00 C ATOM 735 C SER A 991 0.914 -9.218 -1.775 1.00 0.00 C ATOM 736 O SER A 991 1.392 -8.534 -0.870 1.00 0.00 O ATOM 737 CB SER A 991 -1.258 -10.434 -1.637 1.00 0.00 C ATOM 738 OG SER A 991 -0.709 -10.833 -0.389 1.00 0.00 O ATOM 0 H SER A 991 -1.191 -9.726 -4.022 1.00 0.00 H new ATOM 0 HA SER A 991 -1.007 -8.298 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.332 -10.277 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.115 -11.220 -2.379 1.00 0.00 H new ATOM 0 HG SER A 991 -0.810 -11.802 -0.282 1.00 0.00 H new ATOM 744 N GLN A 992 1.650 -10.048 -2.513 1.00 0.00 N ATOM 745 CA GLN A 992 3.081 -10.174 -2.262 1.00 0.00 C ATOM 746 C GLN A 992 3.772 -8.848 -2.560 1.00 0.00 C ATOM 747 O GLN A 992 4.628 -8.403 -1.795 1.00 0.00 O ATOM 748 CB GLN A 992 3.688 -11.318 -3.103 1.00 0.00 C ATOM 749 CG GLN A 992 2.893 -11.503 -4.401 1.00 0.00 C ATOM 750 CD GLN A 992 3.752 -12.200 -5.454 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.920 -11.855 -5.633 1.00 0.00 O ATOM 752 NE2 GLN A 992 3.238 -13.164 -6.168 1.00 0.00 N ATOM 0 H GLN A 992 1.289 -10.629 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 992 3.236 -10.422 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.729 -11.095 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.681 -12.244 -2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.997 -12.091 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.563 -10.534 -4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 992 2.270 -13.449 -6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 992 3.804 -13.632 -6.875 1.00 0.00 H new ATOM 761 N ARG A 993 3.379 -8.201 -3.654 1.00 0.00 N ATOM 762 CA ARG A 993 3.957 -6.911 -3.999 1.00 0.00 C ATOM 763 C ARG A 993 3.609 -5.890 -2.926 1.00 0.00 C ATOM 764 O ARG A 993 4.426 -5.044 -2.572 1.00 0.00 O ATOM 765 CB ARG A 993 3.446 -6.445 -5.370 1.00 0.00 C ATOM 766 CG ARG A 993 4.166 -7.225 -6.473 1.00 0.00 C ATOM 767 CD ARG A 993 3.656 -6.774 -7.841 1.00 0.00 C ATOM 768 NE ARG A 993 2.292 -7.243 -8.055 1.00 0.00 N ATOM 769 CZ ARG A 993 1.533 -6.738 -9.020 1.00 0.00 C ATOM 770 NH1 ARG A 993 1.994 -5.780 -9.776 1.00 0.00 N ATOM 771 NH2 ARG A 993 0.327 -7.203 -9.208 1.00 0.00 N ATOM 0 H ARG A 993 2.674 -8.544 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 993 5.041 -7.010 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.370 -6.602 -5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.621 -5.376 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 993 5.242 -7.062 -6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.996 -8.294 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 993 3.688 -5.687 -7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 993 4.307 -7.161 -8.625 1.00 0.00 H new ATOM 0 HE ARG A 993 1.914 -7.973 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 993 2.936 -5.420 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 993 1.412 -5.391 -10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 993 -0.029 -7.952 -8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 993 -0.259 -6.817 -9.949 1.00 0.00 H new ATOM 785 N TYR A 994 2.393 -5.984 -2.403 1.00 0.00 N ATOM 786 CA TYR A 994 1.946 -5.077 -1.355 1.00 0.00 C ATOM 787 C TYR A 994 2.820 -5.234 -0.110 1.00 0.00 C ATOM 788 O TYR A 994 3.260 -4.244 0.483 1.00 0.00 O ATOM 789 CB TYR A 994 0.476 -5.364 -1.024 1.00 0.00 C ATOM 790 CG TYR A 994 0.065 -4.614 0.225 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.034 -3.215 0.227 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.280 -5.324 1.385 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.343 -2.525 1.387 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.657 -4.635 2.541 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.688 -3.236 2.543 1.00 0.00 C ATOM 796 OH TYR A 994 -1.055 -2.558 3.689 1.00 0.00 O ATOM 0 H TYR A 994 1.701 -6.677 -2.687 1.00 0.00 H new ATOM 0 HA TYR A 994 2.036 -4.049 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.157 -5.067 -1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.331 -6.434 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.300 -2.667 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.254 -6.404 1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.367 -1.445 1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.924 -5.182 3.433 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.264 -3.202 4.397 1.00 0.00 H new ATOM 806 N ASN A 995 3.078 -6.481 0.274 1.00 0.00 N ATOM 807 CA ASN A 995 3.909 -6.748 1.440 1.00 0.00 C ATOM 808 C ASN A 995 5.306 -6.192 1.207 1.00 0.00 C ATOM 809 O ASN A 995 5.907 -5.584 2.098 1.00 0.00 O ATOM 810 CB ASN A 995 3.989 -8.255 1.690 1.00 0.00 C ATOM 811 CG ASN A 995 2.639 -8.779 2.165 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.581 -9.694 2.987 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.544 -8.252 1.693 1.00 0.00 N ATOM 0 H ASN A 995 2.727 -7.313 -0.200 1.00 0.00 H new ATOM 0 HA ASN A 995 3.468 -6.266 2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.286 -8.768 0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.754 -8.468 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 995 0.636 -8.597 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 995 1.595 -7.494 1.012 1.00 0.00 H new ATOM 820 N ALA A 996 5.813 -6.379 -0.004 1.00 0.00 N ATOM 821 CA ALA A 996 7.129 -5.863 -0.336 1.00 0.00 C ATOM 822 C ALA A 996 7.099 -4.350 -0.290 1.00 0.00 C ATOM 823 O ALA A 996 8.004 -3.722 0.224 1.00 0.00 O ATOM 824 CB ALA A 996 7.544 -6.295 -1.732 1.00 0.00 C ATOM 0 H ALA A 996 5.341 -6.876 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 996 7.844 -6.257 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.533 -5.896 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.572 -7.383 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.826 -5.916 -2.459 1.00 0.00 H new ATOM 830 N TRP A 997 6.048 -3.765 -0.833 1.00 0.00 N ATOM 831 CA TRP A 997 5.937 -2.319 -0.839 1.00 0.00 C ATOM 832 C TRP A 997 6.097 -1.800 0.584 1.00 0.00 C ATOM 833 O TRP A 997 6.785 -0.808 0.818 1.00 0.00 O ATOM 834 CB TRP A 997 4.586 -1.892 -1.427 1.00 0.00 C ATOM 835 CG TRP A 997 4.376 -0.428 -1.203 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.026 0.560 -1.856 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.462 0.223 -0.272 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.579 1.779 -1.378 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.612 1.622 -0.403 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.532 -0.262 0.665 1.00 0.00 C ATOM 841 CZ2 TRP A 997 2.864 2.515 0.370 1.00 0.00 C ATOM 842 CZ3 TRP A 997 1.777 0.631 1.443 1.00 0.00 C ATOM 843 CH2 TRP A 997 1.943 2.017 1.294 1.00 0.00 C ATOM 0 H TRP A 997 5.270 -4.260 -1.269 1.00 0.00 H new ATOM 0 HA TRP A 997 6.723 -1.894 -1.463 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.557 -2.114 -2.494 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.781 -2.460 -0.961 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.772 0.421 -2.625 1.00 0.00 H new ATOM 0 HE1 TRP A 997 4.921 2.683 -1.705 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.398 -1.327 0.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 2.997 3.580 0.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.065 0.249 2.160 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.358 2.698 1.894 1.00 0.00 H new ATOM 854 N LEU A 998 5.490 -2.496 1.538 1.00 0.00 N ATOM 855 CA LEU A 998 5.624 -2.103 2.934 1.00 0.00 C ATOM 856 C LEU A 998 7.091 -2.234 3.340 1.00 0.00 C ATOM 857 O LEU A 998 7.635 -1.391 4.057 1.00 0.00 O ATOM 858 CB LEU A 998 4.754 -2.990 3.834 1.00 0.00 C ATOM 859 CG LEU A 998 3.263 -2.706 3.591 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.435 -3.782 4.301 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.877 -1.317 4.139 1.00 0.00 C ATOM 0 H LEU A 998 4.911 -3.320 1.375 1.00 0.00 H new ATOM 0 HA LEU A 998 5.291 -1.072 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.967 -4.040 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.999 -2.808 4.880 1.00 0.00 H new ATOM 0 HG LEU A 998 3.066 -2.721 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.374 -3.592 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.694 -4.763 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.647 -3.757 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.818 -1.136 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.072 -1.282 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.468 -0.551 3.637 1.00 0.00 H new ATOM 873 N GLU A 999 7.731 -3.298 2.863 1.00 0.00 N ATOM 874 CA GLU A 999 9.140 -3.528 3.164 1.00 0.00 C ATOM 875 C GLU A 999 9.989 -2.395 2.569 1.00 0.00 C ATOM 876 O GLU A 999 10.848 -1.818 3.240 1.00 0.00 O ATOM 877 CB GLU A 999 9.568 -4.885 2.579 1.00 0.00 C ATOM 878 CG GLU A 999 11.000 -5.217 3.000 1.00 0.00 C ATOM 879 CD GLU A 999 11.038 -5.609 4.473 1.00 0.00 C ATOM 880 OE1 GLU A 999 9.977 -5.710 5.067 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.126 -5.813 4.983 1.00 0.00 O ATOM 0 H GLU A 999 7.301 -4.009 2.271 1.00 0.00 H new ATOM 0 HA GLU A 999 9.289 -3.543 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.890 -5.667 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.498 -4.858 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.387 -6.033 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.646 -4.356 2.828 1.00 0.00 H new ATOM 888 N LEU A1000 9.716 -2.063 1.311 1.00 0.00 N ATOM 889 CA LEU A1000 10.435 -0.995 0.629 1.00 0.00 C ATOM 890 C LEU A1000 10.221 0.308 1.380 1.00 0.00 C ATOM 891 O LEU A1000 11.139 1.112 1.541 1.00 0.00 O ATOM 892 CB LEU A1000 9.901 -0.821 -0.799 1.00 0.00 C ATOM 893 CG LEU A1000 10.135 -2.090 -1.631 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.547 -1.885 -3.030 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.635 -2.392 -1.735 1.00 0.00 C ATOM 0 H LEU A1000 9.001 -2.519 0.744 1.00 0.00 H new ATOM 0 HA LEU A1000 11.494 -1.252 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.835 -0.593 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.394 0.027 -1.275 1.00 0.00 H new ATOM 0 HG LEU A1000 9.646 -2.934 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.709 -2.782 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.478 -1.690 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A1000 10.035 -1.037 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.784 -3.294 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.142 -1.555 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A1000 12.046 -2.542 -0.737 1.00 0.00 H new ATOM 907 N ARG A1001 8.992 0.508 1.830 1.00 0.00 N ATOM 908 CA ARG A1001 8.643 1.712 2.559 1.00 0.00 C ATOM 909 C ARG A1001 9.487 1.863 3.812 1.00 0.00 C ATOM 910 O ARG A1001 9.973 2.952 4.118 1.00 0.00 O ATOM 911 CB ARG A1001 7.166 1.667 2.926 1.00 0.00 C ATOM 912 CG ARG A1001 6.835 2.802 3.890 1.00 0.00 C ATOM 913 CD ARG A1001 5.318 2.945 3.996 1.00 0.00 C ATOM 914 NE ARG A1001 4.968 4.020 4.922 1.00 0.00 N ATOM 915 CZ ARG A1001 4.879 5.283 4.509 1.00 0.00 C ATOM 916 NH1 ARG A1001 5.135 5.579 3.263 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.544 6.224 5.347 1.00 0.00 N ATOM 0 H ARG A1001 8.222 -0.149 1.702 1.00 0.00 H new ATOM 0 HA ARG A1001 8.840 2.573 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.556 1.753 2.027 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.925 0.708 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.262 2.598 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.276 3.734 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.897 3.153 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.881 2.006 4.338 1.00 0.00 H new ATOM 0 HE ARG A1001 4.789 3.799 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.402 4.844 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A1001 5.068 6.546 2.944 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.349 5.994 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A1001 4.477 7.191 5.028 1.00 0.00 H new ATOM 931 N ALA A1002 9.653 0.771 4.532 1.00 0.00 N ATOM 932 CA ALA A1002 10.437 0.802 5.747 1.00 0.00 C ATOM 933 C ALA A1002 11.881 1.127 5.409 1.00 0.00 C ATOM 934 O ALA A1002 12.590 1.764 6.188 1.00 0.00 O ATOM 935 CB ALA A1002 10.360 -0.547 6.465 1.00 0.00 C ATOM 0 H ALA A1002 9.259 -0.140 4.298 1.00 0.00 H new ATOM 0 HA ALA A1002 10.037 1.570 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.955 -0.508 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.323 -0.766 6.717 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.748 -1.329 5.812 1.00 0.00 H new ATOM 941 N LYS A1003 12.308 0.674 4.238 1.00 0.00 N ATOM 942 CA LYS A1003 13.681 0.919 3.801 1.00 0.00 C ATOM 943 C LYS A1003 13.922 2.394 3.485 1.00 0.00 C ATOM 944 O LYS A1003 14.961 2.951 3.841 1.00 0.00 O ATOM 945 CB LYS A1003 14.031 0.071 2.575 1.00 0.00 C ATOM 946 CG LYS A1003 14.141 -1.400 2.978 1.00 0.00 C ATOM 947 CD LYS A1003 14.660 -2.210 1.787 1.00 0.00 C ATOM 948 CE LYS A1003 14.825 -3.676 2.186 1.00 0.00 C ATOM 949 NZ LYS A1003 15.819 -3.786 3.289 1.00 0.00 N ATOM 0 H LYS A1003 11.736 0.143 3.581 1.00 0.00 H new ATOM 0 HA LYS A1003 14.328 0.633 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.266 0.191 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A1003 14.972 0.411 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A1003 14.815 -1.507 3.828 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.168 -1.777 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A1003 13.966 -2.128 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.615 -1.806 1.450 1.00 0.00 H new ATOM 0 HE2 LYS A1003 13.867 -4.086 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A1003 15.153 -4.262 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 16.170 -4.763 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 16.614 -3.142 3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.367 -3.530 4.190 1.00 0.00 H new ATOM 963 N ARG A1004 12.969 3.018 2.797 1.00 0.00 N ATOM 964 CA ARG A1004 13.101 4.424 2.418 1.00 0.00 C ATOM 965 C ARG A1004 12.552 5.339 3.511 1.00 0.00 C ATOM 966 O ARG A1004 11.400 5.207 3.927 1.00 0.00 O ATOM 967 CB ARG A1004 12.367 4.667 1.089 1.00 0.00 C ATOM 968 CG ARG A1004 10.859 4.780 1.320 1.00 0.00 C ATOM 969 CD ARG A1004 10.134 4.692 -0.025 1.00 0.00 C ATOM 970 NE ARG A1004 10.601 5.751 -0.914 1.00 0.00 N ATOM 971 CZ ARG A1004 10.065 6.968 -0.890 1.00 0.00 C ATOM 972 NH1 ARG A1004 9.088 7.240 -0.069 1.00 0.00 N ATOM 973 NH2 ARG A1004 10.523 7.893 -1.690 1.00 0.00 N ATOM 0 H ARG A1004 12.102 2.576 2.492 1.00 0.00 H new ATOM 0 HA ARG A1004 14.158 4.657 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A1004 12.739 5.580 0.624 1.00 0.00 H new ATOM 0 HB3 ARG A1004 12.574 3.850 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A1004 10.520 3.983 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.624 5.724 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A1004 10.313 3.718 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A1004 9.058 4.781 0.126 1.00 0.00 H new ATOM 0 HE ARG A1004 11.357 5.553 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A1004 8.732 6.518 0.558 1.00 0.00 H new ATOM 0 HH12 ARG A1004 8.680 8.175 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A1004 11.289 7.681 -2.330 1.00 0.00 H new ATOM 0 HH22 ARG A1004 10.115 8.828 -1.675 1.00 0.00 H new ATOM 987 N LEU A1005 13.390 6.264 3.977 1.00 0.00 N ATOM 988 CA LEU A1005 12.995 7.207 5.028 1.00 0.00 C ATOM 989 C LEU A1005 12.848 8.611 4.442 1.00 0.00 C ATOM 990 O LEU A1005 13.758 9.109 3.778 1.00 0.00 O ATOM 991 CB LEU A1005 14.058 7.226 6.141 1.00 0.00 C ATOM 992 CG LEU A1005 13.834 6.062 7.118 1.00 0.00 C ATOM 993 CD1 LEU A1005 13.910 4.720 6.374 1.00 0.00 C ATOM 994 CD2 LEU A1005 14.913 6.109 8.206 1.00 0.00 C ATOM 0 H LEU A1005 14.347 6.382 3.645 1.00 0.00 H new ATOM 0 HA LEU A1005 12.040 6.889 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A1005 15.053 7.154 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A1005 14.014 8.173 6.678 1.00 0.00 H new ATOM 0 HG LEU A1005 12.846 6.155 7.569 1.00 0.00 H new ATOM 0 HD11 LEU A1005 13.749 3.904 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A1005 13.142 4.689 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A1005 14.892 4.614 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A1005 14.762 5.286 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A1005 15.897 6.019 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A1005 14.848 7.056 8.742 1.00 0.00 H new ATOM 1006 N SER A1006 11.704 9.242 4.706 1.00 0.00 N ATOM 1007 CA SER A1006 11.433 10.597 4.215 1.00 0.00 C ATOM 1008 C SER A1006 12.071 10.838 2.847 1.00 0.00 C ATOM 1009 O SER A1006 11.389 10.641 1.853 1.00 0.00 O ATOM 1010 CB SER A1006 11.969 11.623 5.213 1.00 0.00 C ATOM 1011 OG SER A1006 11.416 11.365 6.497 1.00 0.00 O ATOM 0 H SER A1006 10.948 8.837 5.258 1.00 0.00 H new ATOM 0 HA SER A1006 10.353 10.705 4.110 1.00 0.00 H new ATOM 0 HB2 SER A1006 13.057 11.571 5.256 1.00 0.00 H new ATOM 0 HB3 SER A1006 11.711 12.631 4.889 1.00 0.00 H new ATOM 0 HG SER A1006 11.760 12.021 7.139 1.00 0.00 H new TER 1017 SER A1006