USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= -0.629 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00745 USER MOD Single : A 17 SER OG : rot -58:sc= 1.07 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -124:sc= -0.382 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl -179:sc= 0 (180deg=-0.000757) USER MOD Single : A 29 ASN : amide:sc= -4.37! C(o=-4.4!,f=-15!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -136:sc= -1.06 (180deg=-3.19!) USER MOD Single : A 36 HIS : no HD1:sc= -0.505 X(o=-0.5,f=-0.0087) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0623 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.87! C(o=-1.9!,f=-11!) USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.44) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.21) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.511 K(o=-0.51,f=-2) USER MOD Single : A 66 TYR OH : rot 120:sc= -0.134 USER MOD Single : A 67 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 12:sc= 0.932 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.771 -17.307 -3.849 1.00 0.00 N ATOM 2 CA GLY A 1 -2.957 -18.495 -4.044 1.00 0.00 C ATOM 3 C GLY A 1 -1.546 -18.123 -4.502 1.00 0.00 C ATOM 4 O GLY A 1 -1.378 -17.378 -5.465 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.724 -17.586 -3.538 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.334 -16.702 -3.125 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.839 -16.782 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.904 -19.061 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.425 -19.143 -4.785 1.00 0.00 H new ATOM 8 N SER A 2 -0.566 -18.660 -3.788 1.00 0.00 N ATOM 9 CA SER A 2 0.826 -18.394 -4.109 1.00 0.00 C ATOM 10 C SER A 2 1.731 -19.382 -3.370 1.00 0.00 C ATOM 11 O SER A 2 1.474 -19.721 -2.216 1.00 0.00 O ATOM 12 CB SER A 2 1.208 -16.956 -3.754 1.00 0.00 C ATOM 13 OG SER A 2 0.856 -16.626 -2.413 1.00 0.00 O ATOM 0 H SER A 2 -0.709 -19.278 -2.989 1.00 0.00 H new ATOM 0 HA SER A 2 0.960 -18.522 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.281 -16.822 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.711 -16.269 -4.439 1.00 0.00 H new ATOM 0 HG SER A 2 1.118 -15.701 -2.224 1.00 0.00 H new ATOM 19 N SER A 3 2.772 -19.816 -4.066 1.00 0.00 N ATOM 20 CA SER A 3 3.717 -20.757 -3.490 1.00 0.00 C ATOM 21 C SER A 3 4.878 -20.992 -4.458 1.00 0.00 C ATOM 22 O SER A 3 4.688 -21.552 -5.536 1.00 0.00 O ATOM 23 CB SER A 3 3.034 -22.083 -3.148 1.00 0.00 C ATOM 24 OG SER A 3 3.311 -22.498 -1.814 1.00 0.00 O ATOM 0 H SER A 3 2.981 -19.533 -5.023 1.00 0.00 H new ATOM 0 HA SER A 3 4.105 -20.330 -2.565 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.957 -21.980 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.368 -22.853 -3.844 1.00 0.00 H new ATOM 0 HG SER A 3 2.856 -23.347 -1.634 1.00 0.00 H new ATOM 30 N GLY A 4 6.055 -20.552 -4.038 1.00 0.00 N ATOM 31 CA GLY A 4 7.247 -20.707 -4.854 1.00 0.00 C ATOM 32 C GLY A 4 7.016 -20.171 -6.269 1.00 0.00 C ATOM 33 O GLY A 4 6.859 -20.945 -7.212 1.00 0.00 O ATOM 0 H GLY A 4 6.209 -20.088 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.080 -20.177 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.526 -21.760 -4.901 1.00 0.00 H new ATOM 37 N SER A 5 7.002 -18.850 -6.372 1.00 0.00 N ATOM 38 CA SER A 5 6.793 -18.201 -7.655 1.00 0.00 C ATOM 39 C SER A 5 7.299 -16.758 -7.601 1.00 0.00 C ATOM 40 O SER A 5 7.296 -16.136 -6.540 1.00 0.00 O ATOM 41 CB SER A 5 5.316 -18.231 -8.053 1.00 0.00 C ATOM 42 OG SER A 5 5.102 -18.961 -9.258 1.00 0.00 O ATOM 0 H SER A 5 7.132 -18.211 -5.587 1.00 0.00 H new ATOM 0 HA SER A 5 7.356 -18.748 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.733 -18.680 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.954 -17.211 -8.178 1.00 0.00 H new ATOM 0 HG SER A 5 4.147 -18.958 -9.477 1.00 0.00 H new ATOM 48 N SER A 6 7.721 -16.269 -8.757 1.00 0.00 N ATOM 49 CA SER A 6 8.228 -14.911 -8.855 1.00 0.00 C ATOM 50 C SER A 6 7.153 -13.917 -8.411 1.00 0.00 C ATOM 51 O SER A 6 5.979 -14.079 -8.740 1.00 0.00 O ATOM 52 CB SER A 6 8.687 -14.596 -10.280 1.00 0.00 C ATOM 53 OG SER A 6 7.642 -14.782 -11.231 1.00 0.00 O ATOM 0 H SER A 6 7.722 -16.789 -9.634 1.00 0.00 H new ATOM 0 HA SER A 6 9.091 -14.820 -8.196 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.041 -13.566 -10.327 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.531 -15.236 -10.539 1.00 0.00 H new ATOM 0 HG SER A 6 7.974 -14.569 -12.128 1.00 0.00 H new ATOM 59 N GLY A 7 7.593 -12.911 -7.670 1.00 0.00 N ATOM 60 CA GLY A 7 6.682 -11.891 -7.178 1.00 0.00 C ATOM 61 C GLY A 7 7.329 -11.074 -6.057 1.00 0.00 C ATOM 62 O GLY A 7 8.047 -11.620 -5.221 1.00 0.00 O ATOM 0 H GLY A 7 8.567 -12.780 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.394 -11.230 -7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.769 -12.360 -6.811 1.00 0.00 H new ATOM 66 N LEU A 8 7.050 -9.779 -6.076 1.00 0.00 N ATOM 67 CA LEU A 8 7.595 -8.881 -5.072 1.00 0.00 C ATOM 68 C LEU A 8 6.626 -8.796 -3.891 1.00 0.00 C ATOM 69 O LEU A 8 5.422 -8.633 -4.081 1.00 0.00 O ATOM 70 CB LEU A 8 7.930 -7.523 -5.692 1.00 0.00 C ATOM 71 CG LEU A 8 8.500 -6.472 -4.737 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.751 -5.818 -5.326 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.436 -5.439 -4.361 1.00 0.00 C ATOM 0 H LEU A 8 6.453 -9.330 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 8 8.537 -9.269 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.647 -7.681 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.025 -7.120 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 8 8.801 -6.973 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.136 -5.075 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.511 -6.579 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.498 -5.333 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.867 -4.704 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.082 -4.937 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.600 -5.939 -3.872 1.00 0.00 H new ATOM 85 N GLU A 9 7.188 -8.909 -2.696 1.00 0.00 N ATOM 86 CA GLU A 9 6.389 -8.847 -1.484 1.00 0.00 C ATOM 87 C GLU A 9 6.242 -7.397 -1.019 1.00 0.00 C ATOM 88 O GLU A 9 7.154 -6.589 -1.195 1.00 0.00 O ATOM 89 CB GLU A 9 6.996 -9.717 -0.382 1.00 0.00 C ATOM 90 CG GLU A 9 6.020 -9.884 0.785 1.00 0.00 C ATOM 91 CD GLU A 9 6.725 -10.472 2.009 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.970 -10.565 1.957 1.00 0.00 O ATOM 93 OE2 GLU A 9 6.002 -10.815 2.969 1.00 0.00 O ATOM 0 H GLU A 9 8.187 -9.043 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 9 5.397 -9.239 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.255 -10.695 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.921 -9.265 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.585 -8.918 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.198 -10.535 0.486 1.00 0.00 H new ATOM 100 N VAL A 10 5.088 -7.110 -0.435 1.00 0.00 N ATOM 101 CA VAL A 10 4.811 -5.771 0.057 1.00 0.00 C ATOM 102 C VAL A 10 3.885 -5.860 1.271 1.00 0.00 C ATOM 103 O VAL A 10 2.845 -6.515 1.217 1.00 0.00 O ATOM 104 CB VAL A 10 4.238 -4.908 -1.070 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.998 -3.474 -0.594 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.150 -4.933 -2.298 1.00 0.00 C ATOM 0 H VAL A 10 4.334 -7.782 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 10 5.731 -5.286 0.385 1.00 0.00 H new ATOM 0 HB VAL A 10 3.276 -5.330 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.591 -2.882 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.291 -3.480 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.941 -3.037 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.720 -4.312 -3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.133 -4.548 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.248 -5.957 -2.658 1.00 0.00 H new ATOM 116 N LEU A 11 4.296 -5.192 2.339 1.00 0.00 N ATOM 117 CA LEU A 11 3.516 -5.187 3.565 1.00 0.00 C ATOM 118 C LEU A 11 2.845 -3.822 3.733 1.00 0.00 C ATOM 119 O LEU A 11 3.215 -2.858 3.064 1.00 0.00 O ATOM 120 CB LEU A 11 4.386 -5.595 4.755 1.00 0.00 C ATOM 121 CG LEU A 11 4.863 -7.049 4.771 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.868 -7.309 3.647 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.427 -7.426 6.142 1.00 0.00 C ATOM 0 H LEU A 11 5.159 -4.650 2.381 1.00 0.00 H new ATOM 0 HA LEU A 11 2.720 -5.929 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.261 -4.946 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.825 -5.407 5.671 1.00 0.00 H new ATOM 0 HG LEU A 11 4.002 -7.693 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.191 -8.350 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.398 -7.106 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.732 -6.657 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.759 -8.464 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.272 -6.779 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.653 -7.304 6.900 1.00 0.00 H new ATOM 135 N VAL A 12 1.870 -3.784 4.629 1.00 0.00 N ATOM 136 CA VAL A 12 1.145 -2.553 4.893 1.00 0.00 C ATOM 137 C VAL A 12 0.666 -2.550 6.347 1.00 0.00 C ATOM 138 O VAL A 12 0.027 -3.500 6.795 1.00 0.00 O ATOM 139 CB VAL A 12 0.003 -2.393 3.888 1.00 0.00 C ATOM 140 CG1 VAL A 12 -0.961 -1.287 4.324 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.544 -2.125 2.482 1.00 0.00 C ATOM 0 H VAL A 12 1.565 -4.586 5.181 1.00 0.00 H new ATOM 0 HA VAL A 12 1.798 -1.690 4.764 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.553 -3.330 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.763 -1.194 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.385 -1.536 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.423 -0.342 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.288 -2.015 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.135 -1.209 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.171 -2.959 2.168 1.00 0.00 H new ATOM 151 N LYS A 13 0.995 -1.471 7.042 1.00 0.00 N ATOM 152 CA LYS A 13 0.606 -1.332 8.435 1.00 0.00 C ATOM 153 C LYS A 13 -0.519 -0.301 8.546 1.00 0.00 C ATOM 154 O LYS A 13 -0.623 0.601 7.716 1.00 0.00 O ATOM 155 CB LYS A 13 1.825 -1.007 9.301 1.00 0.00 C ATOM 156 CG LYS A 13 1.410 -0.710 10.743 1.00 0.00 C ATOM 157 CD LYS A 13 2.592 -0.875 11.700 1.00 0.00 C ATOM 158 CE LYS A 13 2.536 -2.227 12.414 1.00 0.00 C ATOM 159 NZ LYS A 13 3.892 -2.807 12.534 1.00 0.00 N ATOM 0 H LYS A 13 1.526 -0.685 6.667 1.00 0.00 H new ATOM 0 HA LYS A 13 0.214 -2.275 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.521 -1.846 9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.352 -0.148 8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.022 0.306 10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.603 -1.380 11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.527 -0.791 11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.584 -0.071 12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.098 -2.104 13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.890 -2.910 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.835 -3.724 13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.297 -2.943 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.498 -2.162 13.080 1.00 0.00 H new ATOM 173 N THR A 14 -1.333 -0.469 9.578 1.00 0.00 N ATOM 174 CA THR A 14 -2.446 0.436 9.808 1.00 0.00 C ATOM 175 C THR A 14 -2.370 1.029 11.216 1.00 0.00 C ATOM 176 O THR A 14 -1.346 0.910 11.889 1.00 0.00 O ATOM 177 CB THR A 14 -3.742 -0.333 9.542 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.680 -1.439 10.438 1.00 0.00 O ATOM 179 CG2 THR A 14 -3.767 -0.977 8.155 1.00 0.00 C ATOM 0 H THR A 14 -1.244 -1.218 10.264 1.00 0.00 H new ATOM 0 HA THR A 14 -2.410 1.288 9.129 1.00 0.00 H new ATOM 0 HB THR A 14 -4.592 0.342 9.643 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.483 -1.990 10.333 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.708 -1.510 8.018 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.674 -0.203 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.937 -1.678 8.064 1.00 0.00 H new ATOM 187 N LEU A 15 -3.465 1.654 11.621 1.00 0.00 N ATOM 188 CA LEU A 15 -3.535 2.266 12.937 1.00 0.00 C ATOM 189 C LEU A 15 -3.754 1.177 13.990 1.00 0.00 C ATOM 190 O LEU A 15 -3.453 1.376 15.166 1.00 0.00 O ATOM 191 CB LEU A 15 -4.597 3.366 12.961 1.00 0.00 C ATOM 192 CG LEU A 15 -4.183 4.712 12.361 1.00 0.00 C ATOM 193 CD1 LEU A 15 -5.083 5.087 11.183 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.155 5.804 13.432 1.00 0.00 C ATOM 0 H LEU A 15 -4.312 1.750 11.061 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.593 2.759 13.178 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.476 3.007 12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.899 3.529 13.995 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.169 4.616 11.973 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.767 6.047 10.775 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.008 4.322 10.410 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.116 5.159 11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.858 6.750 12.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.147 5.908 13.872 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.440 5.533 14.209 1.00 0.00 H new ATOM 206 N ASP A 16 -4.276 0.050 13.529 1.00 0.00 N ATOM 207 CA ASP A 16 -4.539 -1.070 14.416 1.00 0.00 C ATOM 208 C ASP A 16 -3.283 -1.938 14.521 1.00 0.00 C ATOM 209 O ASP A 16 -3.311 -3.006 15.130 1.00 0.00 O ATOM 210 CB ASP A 16 -5.673 -1.944 13.879 1.00 0.00 C ATOM 211 CG ASP A 16 -6.163 -3.031 14.839 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.236 -2.728 16.049 1.00 0.00 O ATOM 213 OD2 ASP A 16 -6.453 -4.140 14.340 1.00 0.00 O ATOM 0 H ASP A 16 -4.524 -0.111 12.553 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.822 -0.669 15.389 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.515 -1.302 13.621 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.340 -2.419 12.956 1.00 0.00 H new ATOM 218 N SER A 17 -2.211 -1.446 13.917 1.00 0.00 N ATOM 219 CA SER A 17 -0.947 -2.164 13.934 1.00 0.00 C ATOM 220 C SER A 17 -1.126 -3.554 13.323 1.00 0.00 C ATOM 221 O SER A 17 -0.597 -4.537 13.840 1.00 0.00 O ATOM 222 CB SER A 17 -0.397 -2.276 15.358 1.00 0.00 C ATOM 223 OG SER A 17 0.658 -3.229 15.448 1.00 0.00 O ATOM 0 H SER A 17 -2.191 -0.559 13.413 1.00 0.00 H new ATOM 0 HA SER A 17 -0.227 -1.603 13.338 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.034 -1.301 15.684 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.201 -2.560 16.036 1.00 0.00 H new ATOM 0 HG SER A 17 0.335 -4.104 15.147 1.00 0.00 H new ATOM 229 N GLN A 18 -1.874 -3.594 12.230 1.00 0.00 N ATOM 230 CA GLN A 18 -2.130 -4.848 11.543 1.00 0.00 C ATOM 231 C GLN A 18 -1.351 -4.900 10.227 1.00 0.00 C ATOM 232 O GLN A 18 -1.790 -4.349 9.219 1.00 0.00 O ATOM 233 CB GLN A 18 -3.628 -5.045 11.301 1.00 0.00 C ATOM 234 CG GLN A 18 -4.286 -5.752 12.488 1.00 0.00 C ATOM 235 CD GLN A 18 -4.988 -7.036 12.041 1.00 0.00 C ATOM 236 OE1 GLN A 18 -6.174 -7.058 11.755 1.00 0.00 O ATOM 237 NE2 GLN A 18 -4.193 -8.101 11.996 1.00 0.00 N ATOM 0 H GLN A 18 -2.311 -2.777 11.803 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.788 -5.665 12.179 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.104 -4.078 11.139 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.780 -5.631 10.394 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.532 -5.988 13.239 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.007 -5.084 12.959 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.209 -8.014 12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.568 -9.005 11.709 1.00 0.00 H new ATOM 246 N THR A 19 -0.208 -5.568 10.279 1.00 0.00 N ATOM 247 CA THR A 19 0.636 -5.700 9.104 1.00 0.00 C ATOM 248 C THR A 19 0.201 -6.904 8.266 1.00 0.00 C ATOM 249 O THR A 19 0.058 -8.008 8.788 1.00 0.00 O ATOM 250 CB THR A 19 2.091 -5.780 9.573 1.00 0.00 C ATOM 251 OG1 THR A 19 2.275 -4.591 10.337 1.00 0.00 O ATOM 252 CG2 THR A 19 3.086 -5.640 8.420 1.00 0.00 C ATOM 0 H THR A 19 0.153 -6.024 11.117 1.00 0.00 H new ATOM 0 HA THR A 19 0.538 -4.835 8.448 1.00 0.00 H new ATOM 0 HB THR A 19 2.257 -6.730 10.082 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.192 -4.562 10.681 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.103 -5.704 8.807 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.922 -6.440 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.944 -4.676 7.931 1.00 0.00 H new ATOM 260 N ARG A 20 0.002 -6.650 6.982 1.00 0.00 N ATOM 261 CA ARG A 20 -0.414 -7.699 6.067 1.00 0.00 C ATOM 262 C ARG A 20 0.540 -7.771 4.873 1.00 0.00 C ATOM 263 O ARG A 20 0.831 -6.755 4.244 1.00 0.00 O ATOM 264 CB ARG A 20 -1.837 -7.455 5.560 1.00 0.00 C ATOM 265 CG ARG A 20 -2.828 -7.377 6.723 1.00 0.00 C ATOM 266 CD ARG A 20 -4.024 -6.493 6.366 1.00 0.00 C ATOM 267 NE ARG A 20 -4.777 -6.141 7.590 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.050 -5.722 7.595 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.720 -5.600 6.441 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.653 -5.425 8.754 1.00 0.00 N ATOM 0 H ARG A 20 0.121 -5.732 6.553 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.391 -8.643 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.869 -6.528 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.128 -8.258 4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.175 -8.378 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.328 -6.979 7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.681 -5.587 5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.676 -7.015 5.666 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.297 -6.222 8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.261 -5.826 5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.689 -5.281 6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.143 -5.518 9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.622 -5.106 8.758 1.00 0.00 H new ATOM 284 N THR A 21 1.000 -8.983 4.596 1.00 0.00 N ATOM 285 CA THR A 21 1.915 -9.201 3.489 1.00 0.00 C ATOM 286 C THR A 21 1.140 -9.348 2.178 1.00 0.00 C ATOM 287 O THR A 21 0.080 -9.970 2.146 1.00 0.00 O ATOM 288 CB THR A 21 2.780 -10.418 3.823 1.00 0.00 C ATOM 289 OG1 THR A 21 3.866 -9.878 4.570 1.00 0.00 O ATOM 290 CG2 THR A 21 3.444 -11.023 2.584 1.00 0.00 C ATOM 0 H THR A 21 0.756 -9.824 5.119 1.00 0.00 H new ATOM 0 HA THR A 21 2.574 -8.345 3.346 1.00 0.00 H new ATOM 0 HB THR A 21 2.167 -11.175 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.712 -10.119 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.046 -11.883 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.676 -11.341 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.083 -10.277 2.113 1.00 0.00 H new ATOM 298 N PHE A 22 1.700 -8.764 1.129 1.00 0.00 N ATOM 299 CA PHE A 22 1.075 -8.822 -0.182 1.00 0.00 C ATOM 300 C PHE A 22 2.100 -9.168 -1.264 1.00 0.00 C ATOM 301 O PHE A 22 3.211 -8.641 -1.262 1.00 0.00 O ATOM 302 CB PHE A 22 0.501 -7.432 -0.466 1.00 0.00 C ATOM 303 CG PHE A 22 -0.696 -7.062 0.413 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.871 -7.735 0.280 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.586 -6.060 1.325 1.00 0.00 C ATOM 306 CE1 PHE A 22 -2.982 -7.391 1.095 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.697 -5.716 2.140 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.871 -6.389 2.008 1.00 0.00 C ATOM 0 H PHE A 22 2.580 -8.248 1.160 1.00 0.00 H new ATOM 0 HA PHE A 22 0.303 -9.591 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.286 -6.690 -0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.200 -7.381 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.959 -8.531 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.347 -5.525 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.915 -7.925 0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.609 -4.920 2.865 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.716 -6.128 2.628 1.00 0.00 H new ATOM 318 N ILE A 23 1.689 -10.052 -2.162 1.00 0.00 N ATOM 319 CA ILE A 23 2.558 -10.474 -3.247 1.00 0.00 C ATOM 320 C ILE A 23 2.017 -9.929 -4.570 1.00 0.00 C ATOM 321 O ILE A 23 1.033 -10.441 -5.100 1.00 0.00 O ATOM 322 CB ILE A 23 2.732 -11.994 -3.234 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.495 -12.448 -1.988 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.396 -12.482 -4.522 1.00 0.00 C ATOM 325 CD1 ILE A 23 5.002 -12.251 -2.166 1.00 0.00 C ATOM 0 H ILE A 23 0.766 -10.487 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 23 3.558 -10.060 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 23 1.743 -12.450 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.151 -11.884 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.283 -13.499 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.507 -13.566 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.777 -12.209 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.378 -12.019 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.521 -12.581 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.347 -12.835 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.213 -11.196 -2.340 1.00 0.00 H new ATOM 337 N VAL A 24 2.684 -8.896 -5.064 1.00 0.00 N ATOM 338 CA VAL A 24 2.282 -8.275 -6.315 1.00 0.00 C ATOM 339 C VAL A 24 3.490 -8.195 -7.251 1.00 0.00 C ATOM 340 O VAL A 24 4.630 -8.334 -6.812 1.00 0.00 O ATOM 341 CB VAL A 24 1.646 -6.911 -6.042 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.354 -7.059 -5.236 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.631 -5.979 -5.332 1.00 0.00 C ATOM 0 H VAL A 24 3.500 -8.474 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 24 1.523 -8.878 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 24 1.392 -6.462 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.077 -6.074 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.356 -7.669 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.573 -7.539 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.154 -5.016 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.930 -6.421 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.511 -5.835 -5.958 1.00 0.00 H new ATOM 353 N GLY A 25 3.198 -7.972 -8.524 1.00 0.00 N ATOM 354 CA GLY A 25 4.246 -7.872 -9.526 1.00 0.00 C ATOM 355 C GLY A 25 5.022 -6.563 -9.378 1.00 0.00 C ATOM 356 O GLY A 25 4.437 -5.482 -9.421 1.00 0.00 O ATOM 0 H GLY A 25 2.251 -7.858 -8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.928 -8.716 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.808 -7.929 -10.523 1.00 0.00 H new ATOM 360 N ALA A 26 6.329 -6.703 -9.206 1.00 0.00 N ATOM 361 CA ALA A 26 7.192 -5.544 -9.052 1.00 0.00 C ATOM 362 C ALA A 26 6.781 -4.469 -10.061 1.00 0.00 C ATOM 363 O ALA A 26 6.742 -3.285 -9.730 1.00 0.00 O ATOM 364 CB ALA A 26 8.652 -5.970 -9.216 1.00 0.00 C ATOM 0 H ALA A 26 6.811 -7.601 -9.170 1.00 0.00 H new ATOM 0 HA ALA A 26 7.087 -5.117 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.300 -5.101 -9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.902 -6.712 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.796 -6.401 -10.207 1.00 0.00 H new ATOM 370 N GLN A 27 6.485 -4.921 -11.270 1.00 0.00 N ATOM 371 CA GLN A 27 6.078 -4.013 -12.329 1.00 0.00 C ATOM 372 C GLN A 27 4.881 -3.174 -11.878 1.00 0.00 C ATOM 373 O GLN A 27 4.841 -1.967 -12.112 1.00 0.00 O ATOM 374 CB GLN A 27 5.759 -4.778 -13.615 1.00 0.00 C ATOM 375 CG GLN A 27 7.018 -5.424 -14.196 1.00 0.00 C ATOM 376 CD GLN A 27 6.720 -6.828 -14.725 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.455 -7.035 -15.898 1.00 0.00 O ATOM 378 NE2 GLN A 27 6.776 -7.779 -13.797 1.00 0.00 N ATOM 0 H GLN A 27 6.519 -5.904 -11.540 1.00 0.00 H new ATOM 0 HA GLN A 27 6.908 -3.340 -12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.014 -5.546 -13.410 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.323 -4.099 -14.348 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.410 -4.804 -15.002 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.791 -5.477 -13.429 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.004 -7.538 -12.832 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.591 -8.750 -14.050 1.00 0.00 H new ATOM 387 N MET A 28 3.934 -3.846 -11.240 1.00 0.00 N ATOM 388 CA MET A 28 2.739 -3.178 -10.755 1.00 0.00 C ATOM 389 C MET A 28 3.068 -1.779 -10.230 1.00 0.00 C ATOM 390 O MET A 28 4.196 -1.517 -9.815 1.00 0.00 O ATOM 391 CB MET A 28 2.109 -4.008 -9.635 1.00 0.00 C ATOM 392 CG MET A 28 0.826 -3.351 -9.121 1.00 0.00 C ATOM 393 SD MET A 28 0.122 -4.333 -7.806 1.00 0.00 S ATOM 394 CE MET A 28 -0.789 -5.530 -8.767 1.00 0.00 C ATOM 0 H MET A 28 3.970 -4.847 -11.048 1.00 0.00 H new ATOM 0 HA MET A 28 2.039 -3.079 -11.584 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.887 -5.010 -10.001 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.819 -4.118 -8.815 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.042 -2.346 -8.760 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.108 -3.250 -9.935 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.308 -6.215 -8.097 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.517 -5.015 -9.394 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.099 -6.091 -9.397 1.00 0.00 H new ATOM 404 N ASN A 29 2.063 -0.917 -10.266 1.00 0.00 N ATOM 405 CA ASN A 29 2.232 0.449 -9.799 1.00 0.00 C ATOM 406 C ASN A 29 1.486 0.626 -8.475 1.00 0.00 C ATOM 407 O ASN A 29 0.604 -0.165 -8.144 1.00 0.00 O ATOM 408 CB ASN A 29 1.656 1.449 -10.803 1.00 0.00 C ATOM 409 CG ASN A 29 0.339 0.939 -11.392 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.201 -0.216 -11.762 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.617 1.861 -11.459 1.00 0.00 N ATOM 0 H ASN A 29 1.129 -1.137 -10.611 1.00 0.00 H new ATOM 0 HA ASN A 29 3.299 0.634 -9.677 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.492 2.408 -10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.375 1.620 -11.604 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.533 1.620 -11.838 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.434 2.810 -11.132 1.00 0.00 H new ATOM 418 N VAL A 30 1.868 1.670 -7.753 1.00 0.00 N ATOM 419 CA VAL A 30 1.246 1.961 -6.472 1.00 0.00 C ATOM 420 C VAL A 30 -0.275 1.971 -6.638 1.00 0.00 C ATOM 421 O VAL A 30 -0.982 1.229 -5.958 1.00 0.00 O ATOM 422 CB VAL A 30 1.795 3.274 -5.911 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.957 3.756 -4.724 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.267 3.132 -5.521 1.00 0.00 C ATOM 0 H VAL A 30 2.600 2.324 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 30 1.488 1.186 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 30 1.729 4.027 -6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.369 4.691 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.072 3.917 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.977 3.004 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.632 4.080 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.369 2.358 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.851 2.857 -6.399 1.00 0.00 H new ATOM 434 N LYS A 31 -0.733 2.820 -7.546 1.00 0.00 N ATOM 435 CA LYS A 31 -2.157 2.936 -7.811 1.00 0.00 C ATOM 436 C LYS A 31 -2.773 1.537 -7.887 1.00 0.00 C ATOM 437 O LYS A 31 -3.731 1.238 -7.176 1.00 0.00 O ATOM 438 CB LYS A 31 -2.403 3.785 -9.060 1.00 0.00 C ATOM 439 CG LYS A 31 -3.809 3.549 -9.615 1.00 0.00 C ATOM 440 CD LYS A 31 -4.457 4.868 -10.043 1.00 0.00 C ATOM 441 CE LYS A 31 -4.654 4.914 -11.560 1.00 0.00 C ATOM 442 NZ LYS A 31 -6.026 5.357 -11.891 1.00 0.00 N ATOM 0 H LYS A 31 -0.143 3.434 -8.108 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.654 3.460 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.276 4.840 -8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.662 3.542 -9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.759 2.871 -10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.426 3.065 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.419 4.984 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.832 5.704 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.928 5.594 -12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.471 3.928 -11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.143 5.383 -12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.714 4.693 -11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.188 6.307 -11.501 1.00 0.00 H new ATOM 456 N GLU A 32 -2.198 0.719 -8.755 1.00 0.00 N ATOM 457 CA GLU A 32 -2.678 -0.641 -8.933 1.00 0.00 C ATOM 458 C GLU A 32 -2.638 -1.397 -7.604 1.00 0.00 C ATOM 459 O GLU A 32 -3.657 -1.911 -7.146 1.00 0.00 O ATOM 460 CB GLU A 32 -1.868 -1.373 -10.005 1.00 0.00 C ATOM 461 CG GLU A 32 -2.478 -1.164 -11.392 1.00 0.00 C ATOM 462 CD GLU A 32 -1.798 -2.058 -12.431 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.842 -3.292 -12.235 1.00 0.00 O ATOM 464 OE2 GLU A 32 -1.248 -1.487 -13.398 1.00 0.00 O ATOM 0 H GLU A 32 -1.404 0.971 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.713 -0.598 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.839 -1.012 -9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.834 -2.438 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.545 -1.384 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.376 -0.119 -11.684 1.00 0.00 H new ATOM 471 N PHE A 33 -1.449 -1.441 -7.021 1.00 0.00 N ATOM 472 CA PHE A 33 -1.262 -2.125 -5.753 1.00 0.00 C ATOM 473 C PHE A 33 -2.365 -1.751 -4.760 1.00 0.00 C ATOM 474 O PHE A 33 -2.811 -2.588 -3.977 1.00 0.00 O ATOM 475 CB PHE A 33 0.087 -1.671 -5.193 1.00 0.00 C ATOM 476 CG PHE A 33 0.477 -2.350 -3.879 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.781 -3.676 -3.862 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.519 -1.628 -2.727 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.142 -4.306 -2.642 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.881 -2.259 -1.507 1.00 0.00 C ATOM 481 CZ PHE A 33 1.185 -3.584 -1.491 1.00 0.00 C ATOM 0 H PHE A 33 -0.605 -1.014 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.297 -3.204 -5.905 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.861 -1.867 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.060 -0.592 -5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.748 -4.249 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.277 -0.575 -2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.382 -5.359 -2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.915 -1.686 -0.592 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.461 -4.063 -0.563 1.00 0.00 H new ATOM 491 N LYS A 34 -2.772 -0.492 -4.825 1.00 0.00 N ATOM 492 CA LYS A 34 -3.814 0.004 -3.941 1.00 0.00 C ATOM 493 C LYS A 34 -5.123 -0.730 -4.241 1.00 0.00 C ATOM 494 O LYS A 34 -5.802 -1.193 -3.326 1.00 0.00 O ATOM 495 CB LYS A 34 -3.925 1.526 -4.045 1.00 0.00 C ATOM 496 CG LYS A 34 -2.621 2.202 -3.613 1.00 0.00 C ATOM 497 CD LYS A 34 -2.455 3.560 -4.298 1.00 0.00 C ATOM 498 CE LYS A 34 -1.907 4.603 -3.322 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.980 5.086 -2.425 1.00 0.00 N ATOM 0 H LYS A 34 -2.399 0.200 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.562 -0.204 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.162 1.808 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.746 1.878 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.616 2.333 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.775 1.560 -3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.780 3.462 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.416 3.893 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.099 4.169 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.483 5.441 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.920 6.121 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.906 4.824 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.869 4.653 -1.486 1.00 0.00 H new ATOM 513 N GLU A 35 -5.437 -0.813 -5.525 1.00 0.00 N ATOM 514 CA GLU A 35 -6.652 -1.482 -5.957 1.00 0.00 C ATOM 515 C GLU A 35 -6.620 -2.956 -5.547 1.00 0.00 C ATOM 516 O GLU A 35 -7.643 -3.517 -5.156 1.00 0.00 O ATOM 517 CB GLU A 35 -6.851 -1.338 -7.467 1.00 0.00 C ATOM 518 CG GLU A 35 -6.826 0.134 -7.885 1.00 0.00 C ATOM 519 CD GLU A 35 -7.348 0.307 -9.313 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.152 -0.554 -9.731 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.932 1.297 -9.953 1.00 0.00 O ATOM 0 H GLU A 35 -4.871 -0.428 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.500 -1.006 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.068 -1.883 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.802 -1.786 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.435 0.721 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.808 0.518 -7.817 1.00 0.00 H new ATOM 528 N HIS A 36 -5.436 -3.541 -5.649 1.00 0.00 N ATOM 529 CA HIS A 36 -5.257 -4.938 -5.294 1.00 0.00 C ATOM 530 C HIS A 36 -5.639 -5.147 -3.827 1.00 0.00 C ATOM 531 O HIS A 36 -6.428 -6.035 -3.508 1.00 0.00 O ATOM 532 CB HIS A 36 -3.834 -5.401 -5.608 1.00 0.00 C ATOM 533 CG HIS A 36 -3.590 -6.867 -5.336 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.259 -7.875 -6.008 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.746 -7.482 -4.459 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.829 -9.041 -5.549 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.892 -8.795 -4.588 1.00 0.00 N ATOM 0 H HIS A 36 -4.590 -3.072 -5.973 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.919 -5.558 -5.898 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.620 -5.196 -6.657 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.133 -4.811 -5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.073 -6.985 -3.776 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.161 -10.015 -5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.387 -9.504 -4.056 1.00 0.00 H new ATOM 545 N ILE A 37 -5.061 -4.315 -2.974 1.00 0.00 N ATOM 546 CA ILE A 37 -5.330 -4.397 -1.549 1.00 0.00 C ATOM 547 C ILE A 37 -6.734 -3.858 -1.267 1.00 0.00 C ATOM 548 O ILE A 37 -7.402 -4.311 -0.339 1.00 0.00 O ATOM 549 CB ILE A 37 -4.230 -3.691 -0.754 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.254 -2.182 -1.005 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.859 -4.300 -1.054 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.299 -1.453 -0.058 1.00 0.00 C ATOM 0 H ILE A 37 -4.407 -3.580 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.314 -5.435 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.425 -3.844 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.974 -1.977 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.267 -1.803 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.095 -3.780 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.863 -5.356 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.641 -4.199 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.336 -0.382 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.597 -1.640 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.283 -1.817 -0.214 1.00 0.00 H new ATOM 564 N ALA A 38 -7.141 -2.900 -2.087 1.00 0.00 N ATOM 565 CA ALA A 38 -8.453 -2.295 -1.938 1.00 0.00 C ATOM 566 C ALA A 38 -9.477 -3.383 -1.606 1.00 0.00 C ATOM 567 O ALA A 38 -10.449 -3.130 -0.897 1.00 0.00 O ATOM 568 CB ALA A 38 -8.810 -1.528 -3.213 1.00 0.00 C ATOM 0 H ALA A 38 -6.585 -2.528 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.454 -1.579 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.795 -1.074 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.069 -0.748 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.821 -2.215 -4.060 1.00 0.00 H new ATOM 574 N ALA A 39 -9.223 -4.570 -2.136 1.00 0.00 N ATOM 575 CA ALA A 39 -10.110 -5.698 -1.905 1.00 0.00 C ATOM 576 C ALA A 39 -10.005 -6.133 -0.442 1.00 0.00 C ATOM 577 O ALA A 39 -11.012 -6.210 0.260 1.00 0.00 O ATOM 578 CB ALA A 39 -9.763 -6.828 -2.876 1.00 0.00 C ATOM 0 H ALA A 39 -8.416 -4.776 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.146 -5.416 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.428 -7.674 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.882 -6.477 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.731 -7.140 -2.717 1.00 0.00 H new ATOM 584 N SER A 40 -8.777 -6.405 -0.026 1.00 0.00 N ATOM 585 CA SER A 40 -8.528 -6.830 1.341 1.00 0.00 C ATOM 586 C SER A 40 -8.845 -5.690 2.310 1.00 0.00 C ATOM 587 O SER A 40 -9.747 -5.807 3.139 1.00 0.00 O ATOM 588 CB SER A 40 -7.079 -7.290 1.519 1.00 0.00 C ATOM 589 OG SER A 40 -6.825 -8.523 0.850 1.00 0.00 O ATOM 0 H SER A 40 -7.944 -6.339 -0.611 1.00 0.00 H new ATOM 0 HA SER A 40 -9.180 -7.676 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.405 -6.524 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.862 -7.402 2.581 1.00 0.00 H new ATOM 0 HG SER A 40 -5.890 -8.782 0.986 1.00 0.00 H new ATOM 595 N VAL A 41 -8.087 -4.612 2.174 1.00 0.00 N ATOM 596 CA VAL A 41 -8.276 -3.451 3.027 1.00 0.00 C ATOM 597 C VAL A 41 -9.734 -2.995 2.944 1.00 0.00 C ATOM 598 O VAL A 41 -10.277 -2.462 3.910 1.00 0.00 O ATOM 599 CB VAL A 41 -7.283 -2.353 2.644 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.844 -2.790 2.929 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.453 -1.946 1.179 1.00 0.00 C ATOM 0 H VAL A 41 -7.340 -4.518 1.485 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.073 -3.704 4.068 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.496 -1.480 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.158 -1.991 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.733 -3.006 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.614 -3.685 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.735 -1.164 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.281 -2.811 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.465 -1.573 1.020 1.00 0.00 H new ATOM 611 N SER A 42 -10.326 -3.220 1.780 1.00 0.00 N ATOM 612 CA SER A 42 -11.710 -2.839 1.558 1.00 0.00 C ATOM 613 C SER A 42 -11.815 -1.321 1.394 1.00 0.00 C ATOM 614 O SER A 42 -12.887 -0.746 1.573 1.00 0.00 O ATOM 615 CB SER A 42 -12.603 -3.311 2.707 1.00 0.00 C ATOM 616 OG SER A 42 -13.731 -4.046 2.240 1.00 0.00 O ATOM 0 H SER A 42 -9.872 -3.662 0.981 1.00 0.00 H new ATOM 0 HA SER A 42 -12.055 -3.322 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.021 -3.934 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.944 -2.448 3.279 1.00 0.00 H new ATOM 0 HG SER A 42 -14.275 -4.331 3.004 1.00 0.00 H new ATOM 622 N ILE A 43 -10.686 -0.715 1.056 1.00 0.00 N ATOM 623 CA ILE A 43 -10.637 0.724 0.866 1.00 0.00 C ATOM 624 C ILE A 43 -10.273 1.031 -0.588 1.00 0.00 C ATOM 625 O ILE A 43 -9.448 0.340 -1.184 1.00 0.00 O ATOM 626 CB ILE A 43 -9.693 1.368 1.884 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.152 1.079 3.315 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.543 2.867 1.622 1.00 0.00 C ATOM 629 CD1 ILE A 43 -9.110 1.552 4.331 1.00 0.00 C ATOM 0 H ILE A 43 -9.798 -1.195 0.909 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.617 1.165 1.050 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.706 0.921 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.102 1.579 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.324 0.010 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.867 3.299 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.137 3.023 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.518 3.349 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.461 1.335 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.168 1.033 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.958 2.626 4.223 1.00 0.00 H new ATOM 641 N PRO A 44 -10.924 2.094 -1.132 1.00 0.00 N ATOM 642 CA PRO A 44 -10.678 2.500 -2.505 1.00 0.00 C ATOM 643 C PRO A 44 -9.331 3.215 -2.632 1.00 0.00 C ATOM 644 O PRO A 44 -8.926 3.947 -1.731 1.00 0.00 O ATOM 645 CB PRO A 44 -11.857 3.386 -2.871 1.00 0.00 C ATOM 646 CG PRO A 44 -12.478 3.819 -1.553 1.00 0.00 C ATOM 647 CD PRO A 44 -11.908 2.935 -0.456 1.00 0.00 C ATOM 0 HA PRO A 44 -10.607 1.653 -3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.531 4.249 -3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.578 2.844 -3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.256 4.867 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.563 3.725 -1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.446 3.530 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.687 2.334 0.013 1.00 0.00 H new ATOM 655 N SER A 45 -8.675 2.977 -3.759 1.00 0.00 N ATOM 656 CA SER A 45 -7.382 3.590 -4.015 1.00 0.00 C ATOM 657 C SER A 45 -7.474 5.105 -3.827 1.00 0.00 C ATOM 658 O SER A 45 -6.576 5.719 -3.252 1.00 0.00 O ATOM 659 CB SER A 45 -6.886 3.259 -5.424 1.00 0.00 C ATOM 660 OG SER A 45 -7.525 4.058 -6.416 1.00 0.00 O ATOM 0 H SER A 45 -9.014 2.369 -4.504 1.00 0.00 H new ATOM 0 HA SER A 45 -6.664 3.185 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.808 3.412 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.068 2.205 -5.634 1.00 0.00 H new ATOM 0 HG SER A 45 -7.180 3.818 -7.301 1.00 0.00 H new ATOM 666 N GLU A 46 -8.569 5.665 -4.322 1.00 0.00 N ATOM 667 CA GLU A 46 -8.790 7.097 -4.215 1.00 0.00 C ATOM 668 C GLU A 46 -8.858 7.516 -2.745 1.00 0.00 C ATOM 669 O GLU A 46 -8.782 8.702 -2.430 1.00 0.00 O ATOM 670 CB GLU A 46 -10.057 7.514 -4.964 1.00 0.00 C ATOM 671 CG GLU A 46 -11.266 6.707 -4.485 1.00 0.00 C ATOM 672 CD GLU A 46 -12.573 7.437 -4.803 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.715 7.863 -5.970 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.400 7.552 -3.873 1.00 0.00 O ATOM 0 H GLU A 46 -9.312 5.153 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.948 7.610 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.241 8.577 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.917 7.365 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.267 5.728 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.192 6.537 -3.411 1.00 0.00 H new ATOM 681 N LYS A 47 -9.001 6.518 -1.885 1.00 0.00 N ATOM 682 CA LYS A 47 -9.081 6.768 -0.456 1.00 0.00 C ATOM 683 C LYS A 47 -7.776 6.325 0.209 1.00 0.00 C ATOM 684 O LYS A 47 -7.490 6.711 1.341 1.00 0.00 O ATOM 685 CB LYS A 47 -10.328 6.106 0.135 1.00 0.00 C ATOM 686 CG LYS A 47 -11.542 7.031 0.029 1.00 0.00 C ATOM 687 CD LYS A 47 -12.696 6.523 0.896 1.00 0.00 C ATOM 688 CE LYS A 47 -12.885 7.405 2.131 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.199 8.084 2.087 1.00 0.00 N ATOM 0 H LYS A 47 -9.063 5.535 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.192 7.835 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.531 5.172 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.149 5.853 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.265 8.038 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.864 7.096 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.616 6.509 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.499 5.496 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.813 6.798 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.087 8.146 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.311 8.679 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.254 8.679 1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.957 7.372 2.061 1.00 0.00 H new ATOM 703 N GLN A 48 -7.020 5.520 -0.524 1.00 0.00 N ATOM 704 CA GLN A 48 -5.752 5.021 -0.019 1.00 0.00 C ATOM 705 C GLN A 48 -4.681 6.110 -0.103 1.00 0.00 C ATOM 706 O GLN A 48 -4.870 7.121 -0.778 1.00 0.00 O ATOM 707 CB GLN A 48 -5.317 3.765 -0.777 1.00 0.00 C ATOM 708 CG GLN A 48 -6.161 2.556 -0.366 1.00 0.00 C ATOM 709 CD GLN A 48 -5.656 1.280 -1.041 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.466 1.033 -1.150 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.624 0.484 -1.487 1.00 0.00 N ATOM 0 H GLN A 48 -7.261 5.201 -1.463 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.882 4.748 1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.413 3.932 -1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.264 3.563 -0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.128 2.436 0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.203 2.727 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.601 0.750 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.389 -0.393 -1.953 1.00 0.00 H new ATOM 720 N ARG A 49 -3.580 5.867 0.592 1.00 0.00 N ATOM 721 CA ARG A 49 -2.479 6.815 0.605 1.00 0.00 C ATOM 722 C ARG A 49 -1.239 6.179 1.238 1.00 0.00 C ATOM 723 O ARG A 49 -0.884 6.497 2.372 1.00 0.00 O ATOM 724 CB ARG A 49 -2.849 8.079 1.384 1.00 0.00 C ATOM 725 CG ARG A 49 -1.696 9.085 1.375 1.00 0.00 C ATOM 726 CD ARG A 49 -1.998 10.272 2.293 1.00 0.00 C ATOM 727 NE ARG A 49 -1.030 11.364 2.043 1.00 0.00 N ATOM 728 CZ ARG A 49 -1.093 12.570 2.622 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.078 12.848 3.487 1.00 0.00 N ATOM 730 NH2 ARG A 49 -0.172 13.500 2.335 1.00 0.00 N ATOM 0 H ARG A 49 -3.427 5.027 1.150 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.265 7.089 -0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.737 8.534 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.100 7.817 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.778 8.595 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.526 9.440 0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.013 10.628 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.944 9.959 3.336 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.268 11.187 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.780 12.141 3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.126 13.767 3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.577 13.289 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.220 14.418 2.776 1.00 0.00 H new ATOM 744 N LEU A 50 -0.614 5.293 0.477 1.00 0.00 N ATOM 745 CA LEU A 50 0.579 4.610 0.948 1.00 0.00 C ATOM 746 C LEU A 50 1.638 5.647 1.327 1.00 0.00 C ATOM 747 O LEU A 50 1.888 6.587 0.576 1.00 0.00 O ATOM 748 CB LEU A 50 1.058 3.591 -0.088 1.00 0.00 C ATOM 749 CG LEU A 50 0.012 2.586 -0.573 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.593 1.667 -1.650 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.575 1.796 0.599 1.00 0.00 C ATOM 0 H LEU A 50 -0.911 5.032 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 50 0.359 4.035 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.440 4.134 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.896 3.037 0.336 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.808 3.140 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.171 0.962 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.923 2.265 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.441 1.118 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.316 1.089 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.222 1.253 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.050 2.483 1.300 1.00 0.00 H new ATOM 763 N ILE A 51 2.233 5.439 2.493 1.00 0.00 N ATOM 764 CA ILE A 51 3.260 6.343 2.981 1.00 0.00 C ATOM 765 C ILE A 51 4.419 5.529 3.558 1.00 0.00 C ATOM 766 O ILE A 51 4.215 4.677 4.421 1.00 0.00 O ATOM 767 CB ILE A 51 2.663 7.349 3.968 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.629 8.244 3.282 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.763 8.163 4.653 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.583 8.739 4.283 1.00 0.00 C ATOM 0 H ILE A 51 2.023 4.657 3.114 1.00 0.00 H new ATOM 0 HA ILE A 51 3.665 6.937 2.162 1.00 0.00 H new ATOM 0 HB ILE A 51 2.140 6.794 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.129 9.096 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.138 7.691 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.312 8.870 5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.427 7.492 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.334 8.708 3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.140 9.373 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.069 7.885 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.074 9.312 5.069 1.00 0.00 H new ATOM 782 N TYR A 52 5.611 5.819 3.057 1.00 0.00 N ATOM 783 CA TYR A 52 6.803 5.123 3.512 1.00 0.00 C ATOM 784 C TYR A 52 7.761 6.083 4.220 1.00 0.00 C ATOM 785 O TYR A 52 8.198 7.073 3.635 1.00 0.00 O ATOM 786 CB TYR A 52 7.481 4.581 2.253 1.00 0.00 C ATOM 787 CG TYR A 52 8.582 3.555 2.531 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.860 3.978 2.834 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.296 2.206 2.480 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.895 3.013 3.096 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.331 1.240 2.742 1.00 0.00 C ATOM 792 CZ TYR A 52 10.580 1.691 3.037 1.00 0.00 C ATOM 793 OH TYR A 52 11.558 0.779 3.285 1.00 0.00 O ATOM 0 H TYR A 52 5.777 6.526 2.341 1.00 0.00 H new ATOM 0 HA TYR A 52 6.542 4.335 4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.725 4.124 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.908 5.415 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.084 5.034 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.296 1.875 2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.899 3.331 3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.121 0.181 2.705 1.00 0.00 H new ATOM 0 HH TYR A 52 12.209 1.159 3.911 1.00 0.00 H new ATOM 803 N GLN A 53 8.060 5.757 5.469 1.00 0.00 N ATOM 804 CA GLN A 53 8.958 6.578 6.262 1.00 0.00 C ATOM 805 C GLN A 53 8.279 7.896 6.641 1.00 0.00 C ATOM 806 O GLN A 53 8.023 8.151 7.817 1.00 0.00 O ATOM 807 CB GLN A 53 10.271 6.832 5.518 1.00 0.00 C ATOM 808 CG GLN A 53 11.418 6.036 6.142 1.00 0.00 C ATOM 809 CD GLN A 53 12.357 6.953 6.929 1.00 0.00 C ATOM 810 OE1 GLN A 53 13.131 7.716 6.374 1.00 0.00 O ATOM 811 NE2 GLN A 53 12.246 6.837 8.249 1.00 0.00 N ATOM 0 H GLN A 53 7.696 4.935 5.951 1.00 0.00 H new ATOM 0 HA GLN A 53 9.196 6.038 7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.159 6.554 4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.507 7.896 5.542 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.015 5.268 6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.977 5.522 5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.577 6.178 8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.829 7.407 8.862 1.00 0.00 H new ATOM 820 N GLY A 54 8.005 8.698 5.622 1.00 0.00 N ATOM 821 CA GLY A 54 7.360 9.982 5.833 1.00 0.00 C ATOM 822 C GLY A 54 7.069 10.675 4.501 1.00 0.00 C ATOM 823 O GLY A 54 7.119 11.901 4.410 1.00 0.00 O ATOM 0 H GLY A 54 8.218 8.483 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.430 9.840 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.999 10.618 6.446 1.00 0.00 H new ATOM 827 N ARG A 55 6.770 9.860 3.500 1.00 0.00 N ATOM 828 CA ARG A 55 6.470 10.379 2.176 1.00 0.00 C ATOM 829 C ARG A 55 5.305 9.606 1.554 1.00 0.00 C ATOM 830 O ARG A 55 5.197 8.393 1.728 1.00 0.00 O ATOM 831 CB ARG A 55 7.688 10.279 1.256 1.00 0.00 C ATOM 832 CG ARG A 55 8.415 11.621 1.162 1.00 0.00 C ATOM 833 CD ARG A 55 9.422 11.620 0.010 1.00 0.00 C ATOM 834 NE ARG A 55 9.259 12.843 -0.807 1.00 0.00 N ATOM 835 CZ ARG A 55 10.155 13.270 -1.707 1.00 0.00 C ATOM 836 NH1 ARG A 55 11.283 12.576 -1.912 1.00 0.00 N ATOM 837 NH2 ARG A 55 9.924 14.392 -2.403 1.00 0.00 N ATOM 0 H ARG A 55 6.729 8.844 3.579 1.00 0.00 H new ATOM 0 HA ARG A 55 6.197 11.429 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.371 9.517 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.372 9.962 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.690 12.422 1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.931 11.826 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.437 11.569 0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.276 10.736 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 55 8.412 13.395 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.460 11.722 -1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.965 12.902 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.066 14.921 -2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.606 14.717 -3.088 1.00 0.00 H new ATOM 851 N VAL A 56 4.462 10.340 0.843 1.00 0.00 N ATOM 852 CA VAL A 56 3.309 9.738 0.194 1.00 0.00 C ATOM 853 C VAL A 56 3.753 9.073 -1.111 1.00 0.00 C ATOM 854 O VAL A 56 4.339 9.723 -1.975 1.00 0.00 O ATOM 855 CB VAL A 56 2.217 10.790 -0.012 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.614 11.786 -1.104 1.00 0.00 C ATOM 857 CG2 VAL A 56 0.875 10.130 -0.334 1.00 0.00 C ATOM 0 H VAL A 56 4.554 11.346 0.702 1.00 0.00 H new ATOM 0 HA VAL A 56 2.878 8.960 0.824 1.00 0.00 H new ATOM 0 HB VAL A 56 2.104 11.343 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.821 12.523 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.536 12.291 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.768 11.254 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.116 10.899 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.969 9.540 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.583 9.479 0.490 1.00 0.00 H new ATOM 867 N LEU A 57 3.457 7.786 -1.212 1.00 0.00 N ATOM 868 CA LEU A 57 3.817 7.025 -2.396 1.00 0.00 C ATOM 869 C LEU A 57 2.855 7.373 -3.533 1.00 0.00 C ATOM 870 O LEU A 57 1.666 7.065 -3.461 1.00 0.00 O ATOM 871 CB LEU A 57 3.876 5.531 -2.076 1.00 0.00 C ATOM 872 CG LEU A 57 4.775 5.130 -0.904 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.295 3.825 -0.266 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.240 5.051 -1.339 1.00 0.00 C ATOM 0 H LEU A 57 2.971 7.250 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 57 4.818 7.295 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.864 5.184 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.216 5.002 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 57 4.707 5.905 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.951 3.563 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.277 3.953 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.314 3.028 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.857 4.764 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.345 4.308 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.562 6.024 -1.710 1.00 0.00 H new ATOM 886 N GLN A 58 3.404 8.011 -4.557 1.00 0.00 N ATOM 887 CA GLN A 58 2.609 8.404 -5.708 1.00 0.00 C ATOM 888 C GLN A 58 1.798 7.214 -6.225 1.00 0.00 C ATOM 889 O GLN A 58 2.151 6.062 -5.974 1.00 0.00 O ATOM 890 CB GLN A 58 3.493 8.987 -6.812 1.00 0.00 C ATOM 891 CG GLN A 58 3.382 10.512 -6.856 1.00 0.00 C ATOM 892 CD GLN A 58 3.382 11.102 -5.444 1.00 0.00 C ATOM 893 OE1 GLN A 58 4.387 11.124 -4.753 1.00 0.00 O ATOM 894 NE2 GLN A 58 2.202 11.578 -5.056 1.00 0.00 N ATOM 0 H GLN A 58 4.390 8.265 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 58 1.914 9.183 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.530 8.699 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.200 8.570 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.214 10.925 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.467 10.799 -7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.400 11.528 -5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.099 11.993 -4.130 1.00 0.00 H new ATOM 903 N ASP A 59 0.727 7.532 -6.937 1.00 0.00 N ATOM 904 CA ASP A 59 -0.136 6.503 -7.491 1.00 0.00 C ATOM 905 C ASP A 59 0.352 6.136 -8.894 1.00 0.00 C ATOM 906 O ASP A 59 -0.156 5.197 -9.505 1.00 0.00 O ATOM 907 CB ASP A 59 -1.579 6.998 -7.607 1.00 0.00 C ATOM 908 CG ASP A 59 -1.918 8.212 -6.739 1.00 0.00 C ATOM 909 OD1 ASP A 59 -1.447 8.231 -5.581 1.00 0.00 O ATOM 910 OD2 ASP A 59 -2.640 9.093 -7.253 1.00 0.00 O ATOM 0 H ASP A 59 0.437 8.488 -7.143 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.103 5.641 -6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.779 7.248 -8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.250 6.181 -7.341 1.00 0.00 H new ATOM 915 N ASP A 60 1.331 6.895 -9.363 1.00 0.00 N ATOM 916 CA ASP A 60 1.893 6.661 -10.682 1.00 0.00 C ATOM 917 C ASP A 60 3.209 5.892 -10.542 1.00 0.00 C ATOM 918 O ASP A 60 3.655 5.242 -11.486 1.00 0.00 O ATOM 919 CB ASP A 60 2.190 7.981 -11.396 1.00 0.00 C ATOM 920 CG ASP A 60 1.262 8.305 -12.568 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.395 7.453 -12.858 1.00 0.00 O ATOM 922 OD2 ASP A 60 1.441 9.399 -13.148 1.00 0.00 O ATOM 0 H ASP A 60 1.750 7.673 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 60 1.166 6.093 -11.262 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.130 8.791 -10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.217 7.956 -11.761 1.00 0.00 H new ATOM 927 N LYS A 61 3.792 5.992 -9.357 1.00 0.00 N ATOM 928 CA LYS A 61 5.048 5.314 -9.082 1.00 0.00 C ATOM 929 C LYS A 61 4.776 3.830 -8.830 1.00 0.00 C ATOM 930 O LYS A 61 3.627 3.426 -8.658 1.00 0.00 O ATOM 931 CB LYS A 61 5.790 6.006 -7.937 1.00 0.00 C ATOM 932 CG LYS A 61 6.845 6.976 -8.474 1.00 0.00 C ATOM 933 CD LYS A 61 8.246 6.369 -8.381 1.00 0.00 C ATOM 934 CE LYS A 61 9.254 7.394 -7.858 1.00 0.00 C ATOM 935 NZ LYS A 61 10.334 6.721 -7.103 1.00 0.00 N ATOM 0 H LYS A 61 3.419 6.532 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 61 5.712 5.375 -9.945 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.079 6.546 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.267 5.258 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.621 7.225 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.810 7.907 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.227 5.502 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.559 6.015 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.679 7.953 -8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.748 8.115 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.000 7.433 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.924 6.194 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.838 6.063 -7.731 1.00 0.00 H new ATOM 949 N LYS A 62 5.853 3.058 -8.818 1.00 0.00 N ATOM 950 CA LYS A 62 5.746 1.627 -8.590 1.00 0.00 C ATOM 951 C LYS A 62 6.412 1.275 -7.258 1.00 0.00 C ATOM 952 O LYS A 62 7.288 1.999 -6.788 1.00 0.00 O ATOM 953 CB LYS A 62 6.308 0.851 -9.783 1.00 0.00 C ATOM 954 CG LYS A 62 5.675 1.326 -11.093 1.00 0.00 C ATOM 955 CD LYS A 62 6.652 1.171 -12.260 1.00 0.00 C ATOM 956 CE LYS A 62 5.903 0.933 -13.573 1.00 0.00 C ATOM 957 NZ LYS A 62 6.749 1.309 -14.728 1.00 0.00 N ATOM 0 H LYS A 62 6.804 3.397 -8.963 1.00 0.00 H new ATOM 0 HA LYS A 62 4.700 1.331 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.389 0.981 -9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.120 -0.214 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.770 0.753 -11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.377 2.370 -11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.268 2.067 -12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.327 0.338 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.617 -0.116 -13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.982 1.516 -13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.226 1.141 -15.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.001 2.316 -14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.616 0.734 -14.725 1.00 0.00 H new ATOM 971 N LEU A 63 5.971 0.163 -6.688 1.00 0.00 N ATOM 972 CA LEU A 63 6.514 -0.293 -5.420 1.00 0.00 C ATOM 973 C LEU A 63 8.017 -0.533 -5.571 1.00 0.00 C ATOM 974 O LEU A 63 8.820 0.069 -4.859 1.00 0.00 O ATOM 975 CB LEU A 63 5.744 -1.516 -4.916 1.00 0.00 C ATOM 976 CG LEU A 63 4.256 -1.563 -5.270 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.664 -0.154 -5.342 1.00 0.00 C ATOM 978 CD2 LEU A 63 4.025 -2.349 -6.563 1.00 0.00 C ATOM 0 H LEU A 63 5.244 -0.435 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 63 6.388 0.472 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.221 -2.411 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.841 -1.560 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 63 3.732 -2.091 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.606 -0.217 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.778 0.338 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.186 0.422 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.960 -2.367 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.564 -1.871 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.387 -3.370 -6.438 1.00 0.00 H new ATOM 990 N GLN A 64 8.354 -1.414 -6.501 1.00 0.00 N ATOM 991 CA GLN A 64 9.747 -1.741 -6.754 1.00 0.00 C ATOM 992 C GLN A 64 10.612 -0.482 -6.667 1.00 0.00 C ATOM 993 O GLN A 64 11.669 -0.494 -6.039 1.00 0.00 O ATOM 994 CB GLN A 64 9.911 -2.426 -8.113 1.00 0.00 C ATOM 995 CG GLN A 64 11.292 -3.072 -8.237 1.00 0.00 C ATOM 996 CD GLN A 64 11.535 -3.577 -9.661 1.00 0.00 C ATOM 997 OE1 GLN A 64 10.625 -3.717 -10.461 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.810 -3.841 -9.931 1.00 0.00 N ATOM 0 H GLN A 64 7.686 -1.912 -7.089 1.00 0.00 H new ATOM 0 HA GLN A 64 10.081 -2.441 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.138 -3.184 -8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.774 -1.696 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.061 -2.348 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.374 -3.901 -7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.522 -3.702 -9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.076 -4.183 -10.855 1.00 0.00 H new ATOM 1007 N GLU A 65 10.130 0.574 -7.305 1.00 0.00 N ATOM 1008 CA GLU A 65 10.846 1.838 -7.307 1.00 0.00 C ATOM 1009 C GLU A 65 11.249 2.222 -5.881 1.00 0.00 C ATOM 1010 O GLU A 65 12.425 2.461 -5.609 1.00 0.00 O ATOM 1011 CB GLU A 65 10.007 2.942 -7.955 1.00 0.00 C ATOM 1012 CG GLU A 65 10.641 3.414 -9.265 1.00 0.00 C ATOM 1013 CD GLU A 65 11.987 4.094 -9.010 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.993 3.355 -8.940 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.980 5.339 -8.890 1.00 0.00 O ATOM 0 H GLU A 65 9.252 0.580 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 65 11.752 1.719 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.999 2.573 -8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.913 3.783 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.780 2.564 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.969 4.108 -9.769 1.00 0.00 H new ATOM 1022 N TYR A 66 10.252 2.268 -5.010 1.00 0.00 N ATOM 1023 CA TYR A 66 10.488 2.619 -3.620 1.00 0.00 C ATOM 1024 C TYR A 66 11.283 1.523 -2.906 1.00 0.00 C ATOM 1025 O TYR A 66 11.808 1.742 -1.816 1.00 0.00 O ATOM 1026 CB TYR A 66 9.107 2.734 -2.973 1.00 0.00 C ATOM 1027 CG TYR A 66 8.313 3.965 -3.417 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.641 5.212 -2.925 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.268 3.827 -4.309 1.00 0.00 C ATOM 1030 CE1 TYR A 66 7.894 6.370 -3.343 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.521 4.986 -4.726 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.871 6.200 -4.222 1.00 0.00 C ATOM 1033 OH TYR A 66 6.166 7.293 -4.617 1.00 0.00 O ATOM 0 H TYR A 66 9.279 2.068 -5.240 1.00 0.00 H new ATOM 0 HA TYR A 66 11.060 3.544 -3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.531 1.839 -3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.226 2.762 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.458 5.319 -2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.011 2.851 -4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.141 7.352 -2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.701 4.893 -5.423 1.00 0.00 H new ATOM 0 HH TYR A 66 6.238 7.395 -5.589 1.00 0.00 H new ATOM 1043 N ASN A 67 11.346 0.367 -3.550 1.00 0.00 N ATOM 1044 CA ASN A 67 12.067 -0.763 -2.990 1.00 0.00 C ATOM 1045 C ASN A 67 11.434 -1.155 -1.653 1.00 0.00 C ATOM 1046 O ASN A 67 12.134 -1.315 -0.655 1.00 0.00 O ATOM 1047 CB ASN A 67 13.533 -0.409 -2.734 1.00 0.00 C ATOM 1048 CG ASN A 67 14.372 -0.595 -4.000 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.114 -1.455 -4.826 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.387 0.257 -4.106 1.00 0.00 N ATOM 0 H ASN A 67 10.909 0.189 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 67 12.014 -1.584 -3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.607 0.624 -2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.928 -1.037 -1.936 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.006 0.215 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.547 0.953 -3.378 1.00 0.00 H new ATOM 1057 N VAL A 68 10.117 -1.298 -1.678 1.00 0.00 N ATOM 1058 CA VAL A 68 9.382 -1.668 -0.480 1.00 0.00 C ATOM 1059 C VAL A 68 9.227 -3.189 -0.432 1.00 0.00 C ATOM 1060 O VAL A 68 8.289 -3.702 0.178 1.00 0.00 O ATOM 1061 CB VAL A 68 8.044 -0.928 -0.438 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.256 0.586 -0.396 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.160 -1.326 -1.622 1.00 0.00 C ATOM 0 H VAL A 68 9.540 -1.164 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 68 9.931 -1.369 0.413 1.00 0.00 H new ATOM 0 HB VAL A 68 7.529 -1.219 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.289 1.088 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.828 0.849 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.802 0.902 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.215 -0.786 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.667 -1.078 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.967 -2.398 -1.588 1.00 0.00 H new ATOM 1073 N GLY A 69 10.159 -3.869 -1.083 1.00 0.00 N ATOM 1074 CA GLY A 69 10.137 -5.321 -1.123 1.00 0.00 C ATOM 1075 C GLY A 69 10.361 -5.911 0.271 1.00 0.00 C ATOM 1076 O GLY A 69 11.437 -5.761 0.847 1.00 0.00 O ATOM 0 H GLY A 69 10.935 -3.441 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.180 -5.663 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.909 -5.681 -1.803 1.00 0.00 H new ATOM 1080 N GLY A 70 9.327 -6.569 0.774 1.00 0.00 N ATOM 1081 CA GLY A 70 9.397 -7.182 2.089 1.00 0.00 C ATOM 1082 C GLY A 70 9.460 -6.118 3.187 1.00 0.00 C ATOM 1083 O GLY A 70 9.649 -6.441 4.359 1.00 0.00 O ATOM 0 H GLY A 70 8.435 -6.691 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.526 -7.819 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.276 -7.824 2.149 1.00 0.00 H new ATOM 1087 N LYS A 71 9.299 -4.872 2.768 1.00 0.00 N ATOM 1088 CA LYS A 71 9.336 -3.758 3.702 1.00 0.00 C ATOM 1089 C LYS A 71 7.926 -3.501 4.237 1.00 0.00 C ATOM 1090 O LYS A 71 6.950 -4.031 3.708 1.00 0.00 O ATOM 1091 CB LYS A 71 9.979 -2.533 3.049 1.00 0.00 C ATOM 1092 CG LYS A 71 11.446 -2.802 2.704 1.00 0.00 C ATOM 1093 CD LYS A 71 12.338 -2.638 3.936 1.00 0.00 C ATOM 1094 CE LYS A 71 13.772 -3.080 3.638 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.725 -2.385 4.532 1.00 0.00 N ATOM 0 H LYS A 71 9.143 -4.608 1.795 1.00 0.00 H new ATOM 0 HA LYS A 71 9.964 -4.000 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.431 -2.269 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.911 -1.679 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.551 -3.812 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.771 -2.116 1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.334 -1.596 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.936 -3.226 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.861 -4.158 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.017 -2.864 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.694 -2.696 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.651 -1.358 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.501 -2.612 5.522 1.00 0.00 H new ATOM 1109 N VAL A 72 7.863 -2.686 5.280 1.00 0.00 N ATOM 1110 CA VAL A 72 6.589 -2.351 5.892 1.00 0.00 C ATOM 1111 C VAL A 72 6.231 -0.902 5.556 1.00 0.00 C ATOM 1112 O VAL A 72 6.961 0.020 5.913 1.00 0.00 O ATOM 1113 CB VAL A 72 6.646 -2.619 7.398 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.453 -1.981 8.114 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.719 -4.119 7.686 1.00 0.00 C ATOM 0 H VAL A 72 8.674 -2.248 5.717 1.00 0.00 H new ATOM 0 HA VAL A 72 5.796 -2.982 5.492 1.00 0.00 H new ATOM 0 HB VAL A 72 7.555 -2.159 7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.518 -2.186 9.183 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.464 -0.903 7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.526 -2.398 7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.759 -4.281 8.763 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.837 -4.611 7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.614 -4.535 7.223 1.00 0.00 H new ATOM 1125 N ILE A 73 5.106 -0.748 4.872 1.00 0.00 N ATOM 1126 CA ILE A 73 4.642 0.573 4.484 1.00 0.00 C ATOM 1127 C ILE A 73 3.635 1.080 5.517 1.00 0.00 C ATOM 1128 O ILE A 73 3.232 0.338 6.413 1.00 0.00 O ATOM 1129 CB ILE A 73 4.098 0.550 3.054 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.888 -0.427 2.181 1.00 0.00 C ATOM 1131 CG2 ILE A 73 4.069 1.958 2.456 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.193 -0.647 0.836 1.00 0.00 C ATOM 0 H ILE A 73 4.503 -1.516 4.577 1.00 0.00 H new ATOM 0 HA ILE A 73 5.471 1.280 4.474 1.00 0.00 H new ATOM 0 HB ILE A 73 3.069 0.192 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.894 -0.041 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.994 -1.380 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.678 1.914 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.429 2.598 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.079 2.367 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.776 -1.345 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.197 -1.056 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.111 0.304 0.309 1.00 0.00 H new ATOM 1144 N HIS A 74 3.256 2.340 5.360 1.00 0.00 N ATOM 1145 CA HIS A 74 2.304 2.954 6.269 1.00 0.00 C ATOM 1146 C HIS A 74 1.136 3.538 5.470 1.00 0.00 C ATOM 1147 O HIS A 74 1.188 4.689 5.039 1.00 0.00 O ATOM 1148 CB HIS A 74 2.992 3.992 7.157 1.00 0.00 C ATOM 1149 CG HIS A 74 3.920 3.398 8.190 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.479 2.945 9.422 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.267 3.186 8.162 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.522 2.485 10.096 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.629 2.635 9.314 1.00 0.00 N ATOM 0 H HIS A 74 3.591 2.952 4.616 1.00 0.00 H new ATOM 0 HA HIS A 74 1.898 2.198 6.941 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.558 4.677 6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.230 4.583 7.665 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.927 3.426 7.342 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.500 2.065 11.091 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.579 2.368 9.572 1.00 0.00 H new ATOM 1161 N LEU A 75 0.110 2.718 5.298 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.068 3.138 4.559 1.00 0.00 C ATOM 1163 C LEU A 75 -2.011 3.894 5.498 1.00 0.00 C ATOM 1164 O LEU A 75 -2.076 3.596 6.689 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.721 1.941 3.864 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.226 2.050 3.614 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.521 3.002 2.453 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -3.847 0.669 3.394 1.00 0.00 C ATOM 0 H LEU A 75 0.070 1.764 5.658 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.791 3.827 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.224 1.787 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.536 1.051 4.466 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.690 2.474 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.598 3.062 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.133 3.993 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.042 2.630 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.918 0.775 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.383 0.195 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.684 0.052 4.277 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.718 4.857 4.925 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.654 5.657 5.696 1.00 0.00 C ATOM 1182 C VAL A 76 -4.943 5.842 4.893 1.00 0.00 C ATOM 1183 O VAL A 76 -4.903 5.974 3.671 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.004 6.983 6.096 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.797 6.749 7.007 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.609 7.794 4.861 1.00 0.00 C ATOM 0 H VAL A 76 -2.661 5.101 3.936 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.918 5.147 6.622 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.739 7.561 6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.353 7.707 7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.118 6.231 7.911 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.058 6.142 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.149 8.732 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.899 7.223 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.497 8.006 4.266 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.056 5.844 5.612 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.354 6.010 4.981 1.00 0.00 C ATOM 1198 C GLU A 77 -7.993 7.329 5.421 1.00 0.00 C ATOM 1199 O GLU A 77 -8.104 7.601 6.616 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.271 4.826 5.294 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.690 5.082 4.783 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.683 5.170 5.944 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.353 5.878 6.920 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.749 4.527 5.829 1.00 0.00 O ATOM 0 H GLU A 77 -6.085 5.733 6.626 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.210 6.041 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.873 3.921 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.294 4.653 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.712 6.009 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.987 4.281 4.106 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.397 8.113 4.432 1.00 0.00 N ATOM 1212 CA ARG A 78 -9.022 9.396 4.702 1.00 0.00 C ATOM 1213 C ARG A 78 -10.116 9.242 5.761 1.00 0.00 C ATOM 1214 O ARG A 78 -10.593 8.136 6.008 1.00 0.00 O ATOM 1215 CB ARG A 78 -9.633 9.990 3.431 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.731 11.079 2.847 1.00 0.00 C ATOM 1217 CD ARG A 78 -8.918 11.192 1.332 1.00 0.00 C ATOM 1218 NE ARG A 78 -9.718 12.395 1.010 1.00 0.00 N ATOM 1219 CZ ARG A 78 -9.204 13.625 0.873 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -7.888 13.822 1.030 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -10.006 14.657 0.579 1.00 0.00 N ATOM 0 H ARG A 78 -8.303 7.884 3.442 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.248 10.070 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.783 9.202 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.615 10.407 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.958 12.036 3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.689 10.853 3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.947 11.249 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.417 10.301 0.951 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.724 12.281 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.278 13.036 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.496 14.758 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.008 14.507 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.615 15.593 0.475 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.480 10.367 6.357 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.509 10.371 7.384 1.00 0.00 C ATOM 1237 C ALA A 79 -12.366 11.630 7.237 1.00 0.00 C ATOM 1238 O ALA A 79 -11.926 12.620 6.654 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.854 10.270 8.763 1.00 0.00 C ATOM 0 H ALA A 79 -10.081 11.283 6.149 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.167 9.509 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.625 10.273 9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.281 9.345 8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.188 11.120 8.913 1.00 0.00 H new ATOM 1245 N PRO A 80 -13.606 11.549 7.788 1.00 0.00 N ATOM 1246 CA PRO A 80 -14.529 12.669 7.724 1.00 0.00 C ATOM 1247 C PRO A 80 -14.125 13.769 8.708 1.00 0.00 C ATOM 1248 O PRO A 80 -14.494 13.724 9.881 1.00 0.00 O ATOM 1249 CB PRO A 80 -15.894 12.073 8.027 1.00 0.00 C ATOM 1250 CG PRO A 80 -15.625 10.739 8.703 1.00 0.00 C ATOM 1251 CD PRO A 80 -14.161 10.392 8.486 1.00 0.00 C ATOM 0 HA PRO A 80 -14.530 13.157 6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -16.472 12.731 8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.473 11.938 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.849 10.799 9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.267 9.963 8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.650 10.218 9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.053 9.483 7.894 1.00 0.00 H new ATOM 1259 N SER A 81 -13.373 14.731 8.195 1.00 0.00 N ATOM 1260 CA SER A 81 -12.916 15.841 9.014 1.00 0.00 C ATOM 1261 C SER A 81 -14.041 16.863 9.187 1.00 0.00 C ATOM 1262 O SER A 81 -14.363 17.601 8.256 1.00 0.00 O ATOM 1263 CB SER A 81 -11.683 16.507 8.399 1.00 0.00 C ATOM 1264 OG SER A 81 -11.069 17.426 9.299 1.00 0.00 O ATOM 0 H SER A 81 -13.068 14.765 7.222 1.00 0.00 H new ATOM 0 HA SER A 81 -12.636 15.451 9.993 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.961 15.741 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.970 17.030 7.487 1.00 0.00 H new ATOM 0 HG SER A 81 -10.285 17.829 8.871 1.00 0.00 H new ATOM 1270 N GLY A 82 -14.609 16.874 10.384 1.00 0.00 N ATOM 1271 CA GLY A 82 -15.691 17.793 10.690 1.00 0.00 C ATOM 1272 C GLY A 82 -16.712 17.145 11.628 1.00 0.00 C ATOM 1273 O GLY A 82 -17.638 16.473 11.175 1.00 0.00 O ATOM 0 H GLY A 82 -14.340 16.261 11.153 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.288 18.694 11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.183 18.101 9.768 1.00 0.00 H new ATOM 1277 N PRO A 83 -16.503 17.375 12.952 1.00 0.00 N ATOM 1278 CA PRO A 83 -17.394 16.821 13.957 1.00 0.00 C ATOM 1279 C PRO A 83 -18.718 17.586 13.998 1.00 0.00 C ATOM 1280 O PRO A 83 -18.883 18.506 14.799 1.00 0.00 O ATOM 1281 CB PRO A 83 -16.618 16.907 15.261 1.00 0.00 C ATOM 1282 CG PRO A 83 -15.514 17.924 15.023 1.00 0.00 C ATOM 1283 CD PRO A 83 -15.417 18.165 13.525 1.00 0.00 C ATOM 0 HA PRO A 83 -17.678 15.790 13.745 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.265 17.218 16.081 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -16.203 15.937 15.533 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -15.733 18.855 15.546 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.565 17.555 15.413 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -15.528 19.223 13.286 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -14.449 17.850 13.135 1.00 0.00 H new ATOM 1291 N SER A 84 -19.627 17.179 13.125 1.00 0.00 N ATOM 1292 CA SER A 84 -20.932 17.815 13.051 1.00 0.00 C ATOM 1293 C SER A 84 -21.983 16.802 12.595 1.00 0.00 C ATOM 1294 O SER A 84 -21.982 16.378 11.440 1.00 0.00 O ATOM 1295 CB SER A 84 -20.906 19.016 12.103 1.00 0.00 C ATOM 1296 OG SER A 84 -22.218 19.454 11.760 1.00 0.00 O ATOM 0 H SER A 84 -19.486 16.416 12.462 1.00 0.00 H new ATOM 0 HA SER A 84 -21.193 18.177 14.046 1.00 0.00 H new ATOM 0 HB2 SER A 84 -20.361 19.836 12.571 1.00 0.00 H new ATOM 0 HB3 SER A 84 -20.364 18.750 11.196 1.00 0.00 H new ATOM 0 HG SER A 84 -22.159 20.223 11.155 1.00 0.00 H new ATOM 1302 N SER A 85 -22.855 16.442 13.525 1.00 0.00 N ATOM 1303 CA SER A 85 -23.910 15.486 13.233 1.00 0.00 C ATOM 1304 C SER A 85 -25.258 16.033 13.707 1.00 0.00 C ATOM 1305 O SER A 85 -25.456 16.259 14.900 1.00 0.00 O ATOM 1306 CB SER A 85 -23.625 14.134 13.891 1.00 0.00 C ATOM 1307 OG SER A 85 -23.851 14.166 15.297 1.00 0.00 O ATOM 0 H SER A 85 -22.853 16.795 14.482 1.00 0.00 H new ATOM 0 HA SER A 85 -23.946 15.335 12.154 1.00 0.00 H new ATOM 0 HB2 SER A 85 -24.258 13.370 13.439 1.00 0.00 H new ATOM 0 HB3 SER A 85 -22.592 13.847 13.696 1.00 0.00 H new ATOM 0 HG SER A 85 -24.329 14.988 15.533 1.00 0.00 H new ATOM 1313 N GLY A 86 -26.150 16.231 12.748 1.00 0.00 N ATOM 1314 CA GLY A 86 -27.474 16.748 13.052 1.00 0.00 C ATOM 1315 C GLY A 86 -28.232 17.102 11.771 1.00 0.00 C ATOM 1316 O GLY A 86 -27.791 17.953 11.000 1.00 0.00 O ATOM 0 H GLY A 86 -25.982 16.043 11.760 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -28.037 16.006 13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -27.387 17.632 13.683 1.00 0.00 H new TER 1320 GLY A 86