USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 46 SER OG : rot 120:sc= 0.0889 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.431 K(o=-0.34,f=-1.3) USER MOD Single : A 5 MET CE :methyl 171:sc= -0.119 (180deg=-0.165) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0305) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0693) USER MOD Single : A 9 CYS SG : rot 160:sc= -0.275 USER MOD Single : A 14 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 17 CYS SG : rot -23:sc= 0.72 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 82:sc= 0.0441 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= -0.0151 (180deg=-0.164) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.72 K(o=-0.72,f=-4.8!) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.000579 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 2:sc= 0.451 USER MOD Single : A 45 SER OG : rot -140:sc= -0.195 USER MOD Single : A 53 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.747 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0201) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 87:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -0.650 0.385 -2.374 1.00 0.00 N ATOM 19 CA ARG A 2 -1.570 0.201 -3.490 1.00 0.00 C ATOM 20 C ARG A 2 -1.049 0.895 -4.745 1.00 0.00 C ATOM 21 O ARG A 2 -1.096 0.334 -5.840 1.00 0.00 O ATOM 22 CB ARG A 2 -2.955 0.744 -3.132 1.00 0.00 C ATOM 23 CG ARG A 2 -3.589 0.055 -1.934 1.00 0.00 C ATOM 24 CD ARG A 2 -4.994 0.574 -1.672 1.00 0.00 C ATOM 25 NE ARG A 2 -5.806 -0.393 -0.938 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.677 -0.623 0.364 1.00 0.00 C ATOM 27 NH1 ARG A 2 -4.773 0.041 1.071 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.454 -1.519 0.960 1.00 0.00 N ATOM 0 HA ARG A 2 -1.647 -0.867 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.875 1.811 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.613 0.634 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.624 -1.020 -2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.970 0.215 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.937 1.504 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.477 0.807 -2.621 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.511 -0.921 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.175 0.730 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.676 -0.137 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.150 -2.031 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.355 -1.696 1.960 1.00 0.00 H new ATOM 42 N GLU A 3 -0.553 2.117 -4.577 1.00 0.00 N ATOM 43 CA GLU A 3 -0.025 2.886 -5.697 1.00 0.00 C ATOM 44 C GLU A 3 1.058 2.103 -6.433 1.00 0.00 C ATOM 45 O GLU A 3 1.195 2.209 -7.651 1.00 0.00 O ATOM 46 CB GLU A 3 0.541 4.221 -5.206 1.00 0.00 C ATOM 47 CG GLU A 3 -0.483 5.093 -4.499 1.00 0.00 C ATOM 48 CD GLU A 3 -1.611 5.527 -5.415 1.00 0.00 C ATOM 49 OE1 GLU A 3 -2.616 4.791 -5.508 1.00 0.00 O ATOM 50 OE2 GLU A 3 -1.489 6.602 -6.037 1.00 0.00 O ATOM 0 H GLU A 3 -0.506 2.595 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.844 3.079 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.371 4.026 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.947 4.769 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.898 4.546 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.013 5.976 -4.096 1.00 0.00 H new ATOM 57 N GLU A 4 1.824 1.316 -5.684 1.00 0.00 N ATOM 58 CA GLU A 4 2.895 0.515 -6.265 1.00 0.00 C ATOM 59 C GLU A 4 2.332 -0.548 -7.204 1.00 0.00 C ATOM 60 O GLU A 4 2.810 -0.717 -8.325 1.00 0.00 O ATOM 61 CB GLU A 4 3.722 -0.149 -5.162 1.00 0.00 C ATOM 62 CG GLU A 4 4.299 0.835 -4.158 1.00 0.00 C ATOM 63 CD GLU A 4 5.470 1.620 -4.717 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.102 1.136 -5.679 1.00 0.00 O ATOM 65 OE2 GLU A 4 5.754 2.717 -4.193 1.00 0.00 O ATOM 0 H GLU A 4 1.723 1.216 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 4 3.539 1.180 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.097 -0.869 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.538 -0.710 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.518 1.528 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.621 0.294 -3.268 1.00 0.00 H new ATOM 72 N MET A 5 1.314 -1.262 -6.736 1.00 0.00 N ATOM 73 CA MET A 5 0.685 -2.309 -7.533 1.00 0.00 C ATOM 74 C MET A 5 0.025 -1.722 -8.777 1.00 0.00 C ATOM 75 O MET A 5 0.152 -2.266 -9.874 1.00 0.00 O ATOM 76 CB MET A 5 -0.353 -3.062 -6.698 1.00 0.00 C ATOM 77 CG MET A 5 0.248 -4.137 -5.807 1.00 0.00 C ATOM 78 SD MET A 5 1.056 -3.456 -4.346 1.00 0.00 S ATOM 79 CE MET A 5 2.779 -3.615 -4.807 1.00 0.00 C ATOM 0 H MET A 5 0.907 -1.135 -5.809 1.00 0.00 H new ATOM 0 HA MET A 5 1.461 -3.006 -7.849 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.895 -2.348 -6.077 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.081 -3.521 -7.366 1.00 0.00 H new ATOM 0 HG2 MET A 5 -0.537 -4.826 -5.495 1.00 0.00 H new ATOM 0 HG3 MET A 5 0.971 -4.716 -6.381 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.400 -3.093 -4.079 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.054 -4.670 -4.829 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.933 -3.179 -5.794 1.00 0.00 H new ATOM 89 N VAL A 6 -0.680 -0.610 -8.599 1.00 0.00 N ATOM 90 CA VAL A 6 -1.359 0.051 -9.707 1.00 0.00 C ATOM 91 C VAL A 6 -0.357 0.621 -10.704 1.00 0.00 C ATOM 92 O VAL A 6 -0.513 0.467 -11.916 1.00 0.00 O ATOM 93 CB VAL A 6 -2.273 1.186 -9.209 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.949 1.881 -10.381 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.305 0.648 -8.230 1.00 0.00 C ATOM 0 H VAL A 6 -0.796 -0.147 -7.697 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.968 -0.706 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.659 1.920 -8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.591 2.680 -10.009 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.191 2.302 -11.041 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.551 1.160 -10.934 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.942 1.464 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.916 -0.107 -8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.797 0.202 -7.375 1.00 0.00 H new ATOM 105 N LYS A 7 0.674 1.280 -10.187 1.00 0.00 N ATOM 106 CA LYS A 7 1.705 1.873 -11.031 1.00 0.00 C ATOM 107 C LYS A 7 2.400 0.806 -11.871 1.00 0.00 C ATOM 108 O LYS A 7 2.622 0.991 -13.068 1.00 0.00 O ATOM 109 CB LYS A 7 2.735 2.611 -10.172 1.00 0.00 C ATOM 110 CG LYS A 7 3.802 3.325 -10.982 1.00 0.00 C ATOM 111 CD LYS A 7 4.859 3.949 -10.085 1.00 0.00 C ATOM 112 CE LYS A 7 5.847 2.908 -9.581 1.00 0.00 C ATOM 113 NZ LYS A 7 6.823 2.515 -10.634 1.00 0.00 N ATOM 0 H LYS A 7 0.818 1.417 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 7 1.224 2.584 -11.703 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.219 3.338 -9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.216 1.898 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.274 2.619 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.339 4.100 -11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.394 4.723 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.377 4.436 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.383 3.304 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.304 2.026 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.549 1.896 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.328 2.007 -11.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.275 3.367 -11.024 1.00 0.00 H new ATOM 127 N LYS A 8 2.740 -0.311 -11.238 1.00 0.00 N ATOM 128 CA LYS A 8 3.407 -1.409 -11.927 1.00 0.00 C ATOM 129 C LYS A 8 2.493 -2.026 -12.980 1.00 0.00 C ATOM 130 O LYS A 8 2.912 -2.274 -14.112 1.00 0.00 O ATOM 131 CB LYS A 8 3.841 -2.480 -10.923 1.00 0.00 C ATOM 132 CG LYS A 8 5.058 -3.274 -11.368 1.00 0.00 C ATOM 133 CD LYS A 8 4.669 -4.426 -12.279 1.00 0.00 C ATOM 134 CE LYS A 8 5.757 -5.487 -12.331 1.00 0.00 C ATOM 135 NZ LYS A 8 5.794 -6.305 -11.087 1.00 0.00 N ATOM 0 H LYS A 8 2.564 -0.480 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 8 4.289 -1.009 -12.426 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.058 -2.003 -9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.011 -3.167 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.753 -2.615 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.581 -3.661 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.740 -4.873 -11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.479 -4.049 -13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.589 -6.138 -13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.725 -5.008 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.414 -7.128 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.161 -5.728 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.834 -6.631 -10.857 1.00 0.00 H new ATOM 149 N CYS A 9 1.243 -2.271 -12.602 1.00 0.00 N ATOM 150 CA CYS A 9 0.269 -2.858 -13.515 1.00 0.00 C ATOM 151 C CYS A 9 0.116 -2.005 -14.770 1.00 0.00 C ATOM 152 O CYS A 9 0.103 -2.522 -15.888 1.00 0.00 O ATOM 153 CB CYS A 9 -1.085 -3.011 -12.820 1.00 0.00 C ATOM 154 SG CYS A 9 -2.269 -4.032 -13.727 1.00 0.00 S ATOM 0 H CYS A 9 0.880 -2.072 -11.670 1.00 0.00 H new ATOM 0 HA CYS A 9 0.632 -3.843 -13.809 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.928 -3.446 -11.833 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.517 -2.022 -12.667 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.190 -4.455 -12.913 1.00 0.00 H new ATOM 160 N LEU A 10 0.000 -0.696 -14.578 1.00 0.00 N ATOM 161 CA LEU A 10 -0.154 0.231 -15.695 1.00 0.00 C ATOM 162 C LEU A 10 1.104 0.257 -16.557 1.00 0.00 C ATOM 163 O LEU A 10 1.029 0.218 -17.785 1.00 0.00 O ATOM 164 CB LEU A 10 -0.461 1.637 -15.178 1.00 0.00 C ATOM 165 CG LEU A 10 -1.847 1.839 -14.566 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.961 3.223 -13.946 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.929 1.633 -15.616 1.00 0.00 C ATOM 0 H LEU A 10 0.010 -0.252 -13.660 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.986 -0.113 -16.309 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.287 1.898 -14.429 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.344 2.339 -16.003 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.986 1.098 -13.779 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.955 3.348 -13.516 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.210 3.334 -13.164 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.800 3.980 -14.714 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.909 1.781 -15.162 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.792 2.350 -16.425 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.862 0.620 -16.013 1.00 0.00 H new ATOM 179 N GLY A 11 2.261 0.321 -15.906 1.00 0.00 N ATOM 180 CA GLY A 11 3.519 0.349 -16.629 1.00 0.00 C ATOM 181 C GLY A 11 3.685 -0.844 -17.549 1.00 0.00 C ATOM 182 O GLY A 11 4.054 -0.690 -18.713 1.00 0.00 O ATOM 0 H GLY A 11 2.350 0.354 -14.890 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.578 1.266 -17.215 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.344 0.372 -15.917 1.00 0.00 H new ATOM 186 N GLU A 12 3.414 -2.036 -17.027 1.00 0.00 N ATOM 187 CA GLU A 12 3.538 -3.259 -17.810 1.00 0.00 C ATOM 188 C GLU A 12 2.411 -3.367 -18.833 1.00 0.00 C ATOM 189 O GLU A 12 2.625 -3.797 -19.967 1.00 0.00 O ATOM 190 CB GLU A 12 3.527 -4.483 -16.892 1.00 0.00 C ATOM 191 CG GLU A 12 4.903 -4.868 -16.374 1.00 0.00 C ATOM 192 CD GLU A 12 5.891 -5.141 -17.492 1.00 0.00 C ATOM 193 OE1 GLU A 12 5.750 -6.181 -18.168 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.806 -4.314 -17.689 1.00 0.00 O ATOM 0 H GLU A 12 3.107 -2.180 -16.065 1.00 0.00 H new ATOM 0 HA GLU A 12 4.488 -3.223 -18.344 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.871 -4.285 -16.044 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.102 -5.329 -17.433 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.287 -4.067 -15.742 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.816 -5.755 -15.746 1.00 0.00 H new ATOM 201 N LEU A 13 1.209 -2.975 -18.423 1.00 0.00 N ATOM 202 CA LEU A 13 0.046 -3.027 -19.303 1.00 0.00 C ATOM 203 C LEU A 13 0.277 -2.195 -20.560 1.00 0.00 C ATOM 204 O LEU A 13 -0.127 -2.582 -21.657 1.00 0.00 O ATOM 205 CB LEU A 13 -1.197 -2.526 -18.567 1.00 0.00 C ATOM 206 CG LEU A 13 -1.969 -3.573 -17.763 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.117 -2.925 -17.005 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.485 -4.674 -18.678 1.00 0.00 C ATOM 0 H LEU A 13 1.014 -2.618 -17.488 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.109 -4.064 -19.600 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.896 -1.726 -17.890 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.875 -2.086 -19.298 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.289 -4.020 -17.038 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.655 -3.686 -16.439 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.723 -2.174 -16.320 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.798 -2.450 -17.712 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.032 -5.410 -18.089 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.149 -4.243 -19.427 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.644 -5.159 -19.174 1.00 0.00 H new ATOM 220 N THR A 14 0.930 -1.049 -20.394 1.00 0.00 N ATOM 221 CA THR A 14 1.215 -0.162 -21.515 1.00 0.00 C ATOM 222 C THR A 14 2.047 -0.871 -22.578 1.00 0.00 C ATOM 223 O THR A 14 1.736 -0.806 -23.767 1.00 0.00 O ATOM 224 CB THR A 14 1.962 1.104 -21.054 1.00 0.00 C ATOM 225 OG1 THR A 14 1.239 1.740 -19.995 1.00 0.00 O ATOM 226 CG2 THR A 14 2.141 2.077 -22.209 1.00 0.00 C ATOM 0 H THR A 14 1.272 -0.713 -19.493 1.00 0.00 H new ATOM 0 HA THR A 14 0.255 0.127 -21.942 1.00 0.00 H new ATOM 0 HB THR A 14 2.947 0.808 -20.694 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.432 1.286 -19.148 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.671 2.963 -21.859 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.717 1.599 -23.002 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.164 2.367 -22.595 1.00 0.00 H new ATOM 234 N GLU A 15 3.106 -1.546 -22.142 1.00 0.00 N ATOM 235 CA GLU A 15 3.982 -2.267 -23.058 1.00 0.00 C ATOM 236 C GLU A 15 3.259 -3.458 -23.680 1.00 0.00 C ATOM 237 O GLU A 15 3.424 -3.750 -24.864 1.00 0.00 O ATOM 238 CB GLU A 15 5.239 -2.744 -22.328 1.00 0.00 C ATOM 239 CG GLU A 15 6.022 -1.621 -21.667 1.00 0.00 C ATOM 240 CD GLU A 15 7.048 -1.001 -22.596 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.866 -1.755 -23.164 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.034 0.238 -22.754 1.00 0.00 O ATOM 0 H GLU A 15 3.378 -1.609 -21.161 1.00 0.00 H new ATOM 0 HA GLU A 15 4.271 -1.583 -23.856 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.954 -3.472 -21.569 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.887 -3.259 -23.037 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.330 -0.850 -21.330 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.526 -2.007 -20.781 1.00 0.00 H new ATOM 249 N VAL A 16 2.457 -4.143 -22.871 1.00 0.00 N ATOM 250 CA VAL A 16 1.707 -5.303 -23.340 1.00 0.00 C ATOM 251 C VAL A 16 0.693 -4.906 -24.407 1.00 0.00 C ATOM 252 O VAL A 16 0.610 -5.534 -25.463 1.00 0.00 O ATOM 253 CB VAL A 16 0.971 -6.001 -22.182 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.189 -7.202 -22.693 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.955 -6.417 -21.099 1.00 0.00 C ATOM 0 H VAL A 16 2.310 -3.915 -21.888 1.00 0.00 H new ATOM 0 HA VAL A 16 2.431 -5.996 -23.770 1.00 0.00 H new ATOM 0 HB VAL A 16 0.264 -5.295 -21.746 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.325 -7.683 -21.860 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.544 -6.872 -23.430 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.874 -7.912 -23.155 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.417 -6.909 -20.288 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.688 -7.106 -21.519 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.466 -5.535 -20.713 1.00 0.00 H new ATOM 265 N CYS A 17 -0.076 -3.861 -24.125 1.00 0.00 N ATOM 266 CA CYS A 17 -1.087 -3.380 -25.060 1.00 0.00 C ATOM 267 C CYS A 17 -0.436 -2.698 -26.260 1.00 0.00 C ATOM 268 O CYS A 17 -0.995 -2.680 -27.356 1.00 0.00 O ATOM 269 CB CYS A 17 -2.039 -2.409 -24.361 1.00 0.00 C ATOM 270 SG CYS A 17 -1.324 -0.780 -24.035 1.00 0.00 S ATOM 0 H CYS A 17 -0.019 -3.330 -23.256 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.655 -4.239 -25.416 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.931 -2.286 -24.975 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.360 -2.848 -23.417 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.028 -0.874 -23.998 1.00 0.00 H new ATOM 276 N LYS A 18 0.749 -2.136 -26.043 1.00 0.00 N ATOM 277 CA LYS A 18 1.477 -1.452 -27.105 1.00 0.00 C ATOM 278 C LYS A 18 1.989 -2.447 -28.142 1.00 0.00 C ATOM 279 O LYS A 18 1.821 -2.245 -29.345 1.00 0.00 O ATOM 280 CB LYS A 18 2.649 -0.661 -26.520 1.00 0.00 C ATOM 281 CG LYS A 18 2.288 0.764 -26.135 1.00 0.00 C ATOM 282 CD LYS A 18 3.435 1.454 -25.415 1.00 0.00 C ATOM 283 CE LYS A 18 4.545 1.841 -26.380 1.00 0.00 C ATOM 284 NZ LYS A 18 4.305 3.176 -26.995 1.00 0.00 N ATOM 0 H LYS A 18 1.225 -2.141 -25.141 1.00 0.00 H new ATOM 0 HA LYS A 18 0.790 -0.763 -27.596 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.025 -1.182 -25.640 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.460 -0.638 -27.248 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.027 1.329 -27.030 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.406 0.757 -25.494 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.065 2.345 -24.908 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.834 0.793 -24.646 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.498 1.851 -25.852 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.623 1.088 -27.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.083 3.403 -27.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.408 3.160 -27.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.256 3.898 -26.248 1.00 0.00 H new ATOM 298 N SER A 19 2.612 -3.520 -27.669 1.00 0.00 N ATOM 299 CA SER A 19 3.150 -4.545 -28.555 1.00 0.00 C ATOM 300 C SER A 19 2.026 -5.327 -29.228 1.00 0.00 C ATOM 301 O SER A 19 2.052 -5.558 -30.437 1.00 0.00 O ATOM 302 CB SER A 19 4.055 -5.501 -27.775 1.00 0.00 C ATOM 303 OG SER A 19 5.195 -4.827 -27.271 1.00 0.00 O ATOM 0 H SER A 19 2.757 -3.703 -26.676 1.00 0.00 H new ATOM 0 HA SER A 19 3.737 -4.049 -29.328 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.496 -5.944 -26.950 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.369 -6.319 -28.423 1.00 0.00 H new ATOM 0 HG SER A 19 4.960 -4.362 -26.441 1.00 0.00 H new ATOM 309 N LEU A 20 1.039 -5.731 -28.436 1.00 0.00 N ATOM 310 CA LEU A 20 -0.096 -6.487 -28.953 1.00 0.00 C ATOM 311 C LEU A 20 -0.886 -5.662 -29.963 1.00 0.00 C ATOM 312 O LEU A 20 -1.287 -6.164 -31.012 1.00 0.00 O ATOM 313 CB LEU A 20 -1.011 -6.920 -27.805 1.00 0.00 C ATOM 314 CG LEU A 20 -0.687 -8.269 -27.162 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.566 -8.503 -25.943 1.00 0.00 C ATOM 316 CD2 LEU A 20 -0.859 -9.396 -28.170 1.00 0.00 C ATOM 0 H LEU A 20 1.002 -5.548 -27.433 1.00 0.00 H new ATOM 0 HA LEU A 20 0.289 -7.373 -29.457 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.977 -6.153 -27.031 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.035 -6.953 -28.176 1.00 0.00 H new ATOM 0 HG LEU A 20 0.354 -8.255 -26.838 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.322 -9.468 -25.498 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.393 -7.712 -25.213 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.614 -8.497 -26.243 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.624 -10.348 -27.695 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.889 -9.412 -28.525 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.187 -9.236 -29.013 1.00 0.00 H new ATOM 328 N GLY A 21 -1.102 -4.390 -29.641 1.00 0.00 N ATOM 329 CA GLY A 21 -1.841 -3.514 -30.532 1.00 0.00 C ATOM 330 C GLY A 21 -1.052 -3.152 -31.775 1.00 0.00 C ATOM 331 O GLY A 21 -1.624 -2.955 -32.847 1.00 0.00 O ATOM 0 H GLY A 21 -0.779 -3.951 -28.779 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.772 -4.000 -30.825 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.111 -2.603 -29.999 1.00 0.00 H new ATOM 335 N LYS A 22 0.266 -3.063 -31.632 1.00 0.00 N ATOM 336 CA LYS A 22 1.136 -2.722 -32.751 1.00 0.00 C ATOM 337 C LYS A 22 1.154 -3.841 -33.787 1.00 0.00 C ATOM 338 O LYS A 22 1.022 -3.594 -34.985 1.00 0.00 O ATOM 339 CB LYS A 22 2.558 -2.450 -32.254 1.00 0.00 C ATOM 340 CG LYS A 22 2.792 -1.006 -31.843 1.00 0.00 C ATOM 341 CD LYS A 22 4.157 -0.825 -31.199 1.00 0.00 C ATOM 342 CE LYS A 22 5.226 -0.519 -32.236 1.00 0.00 C ATOM 343 NZ LYS A 22 5.093 0.861 -32.780 1.00 0.00 N ATOM 0 H LYS A 22 0.755 -3.222 -30.751 1.00 0.00 H new ATOM 0 HA LYS A 22 0.744 -1.821 -33.222 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.768 -3.100 -31.404 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.266 -2.715 -33.040 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.712 -0.360 -32.717 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.015 -0.695 -31.145 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.112 -0.015 -30.471 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.426 -1.730 -30.654 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.212 -0.639 -31.787 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.157 -1.239 -33.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.972 1.129 -33.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.301 0.894 -33.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.912 1.525 -32.001 1.00 0.00 H new ATOM 357 N VAL A 23 1.317 -5.074 -33.317 1.00 0.00 N ATOM 358 CA VAL A 23 1.349 -6.232 -34.202 1.00 0.00 C ATOM 359 C VAL A 23 -0.019 -6.486 -34.825 1.00 0.00 C ATOM 360 O VAL A 23 -0.122 -6.829 -36.003 1.00 0.00 O ATOM 361 CB VAL A 23 1.803 -7.499 -33.453 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.235 -7.346 -32.964 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.864 -7.798 -32.295 1.00 0.00 C ATOM 0 H VAL A 23 1.429 -5.296 -32.328 1.00 0.00 H new ATOM 0 HA VAL A 23 2.068 -6.008 -34.990 1.00 0.00 H new ATOM 0 HB VAL A 23 1.769 -8.341 -34.145 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.538 -8.251 -32.437 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.895 -7.184 -33.816 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.299 -6.494 -32.288 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.200 -8.696 -31.777 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.863 -6.958 -31.601 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.145 -7.955 -32.676 1.00 0.00 H new ATOM 373 N PHE A 24 -1.067 -6.314 -34.027 1.00 0.00 N ATOM 374 CA PHE A 24 -2.430 -6.525 -34.500 1.00 0.00 C ATOM 375 C PHE A 24 -2.771 -5.557 -35.629 1.00 0.00 C ATOM 376 O PHE A 24 -3.696 -5.791 -36.405 1.00 0.00 O ATOM 377 CB PHE A 24 -3.424 -6.353 -33.349 1.00 0.00 C ATOM 378 CG PHE A 24 -3.911 -7.655 -32.779 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.495 -8.609 -33.596 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.786 -7.923 -31.425 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.944 -9.808 -33.074 1.00 0.00 C ATOM 382 CE2 PHE A 24 -4.233 -9.120 -30.898 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.813 -10.063 -31.723 1.00 0.00 C ATOM 0 H PHE A 24 -0.999 -6.029 -33.050 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.501 -7.543 -34.884 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.953 -5.772 -32.556 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.280 -5.777 -33.701 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.601 -8.414 -34.653 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.334 -7.189 -30.775 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.397 -10.544 -33.722 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.129 -9.318 -29.841 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.164 -10.998 -31.313 1.00 0.00 H new ATOM 393 N GLY A 25 -2.014 -4.466 -35.714 1.00 0.00 N ATOM 394 CA GLY A 25 -2.251 -3.478 -36.750 1.00 0.00 C ATOM 395 C GLY A 25 -3.179 -2.370 -36.293 1.00 0.00 C ATOM 396 O GLY A 25 -3.855 -1.741 -37.107 1.00 0.00 O ATOM 0 H GLY A 25 -1.242 -4.250 -35.084 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.300 -3.046 -37.060 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.679 -3.968 -37.624 1.00 0.00 H new ATOM 400 N VAL A 26 -3.214 -2.130 -34.986 1.00 0.00 N ATOM 401 CA VAL A 26 -4.067 -1.091 -34.421 1.00 0.00 C ATOM 402 C VAL A 26 -3.301 -0.237 -33.417 1.00 0.00 C ATOM 403 O VAL A 26 -2.098 -0.417 -33.223 1.00 0.00 O ATOM 404 CB VAL A 26 -5.303 -1.694 -33.729 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.153 -2.463 -34.728 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.882 -2.590 -32.574 1.00 0.00 C ATOM 0 H VAL A 26 -2.661 -2.641 -34.298 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.395 -0.465 -35.251 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.906 -0.880 -33.327 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.022 -2.882 -34.220 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.484 -1.789 -35.518 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.563 -3.270 -35.163 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.768 -3.008 -32.096 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.257 -3.400 -32.951 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.319 -2.005 -31.846 1.00 0.00 H new ATOM 416 N HIS A 27 -4.005 0.692 -32.780 1.00 0.00 N ATOM 417 CA HIS A 27 -3.392 1.574 -31.793 1.00 0.00 C ATOM 418 C HIS A 27 -3.854 1.218 -30.383 1.00 0.00 C ATOM 419 O HIS A 27 -4.942 0.671 -30.196 1.00 0.00 O ATOM 420 CB HIS A 27 -3.732 3.033 -32.100 1.00 0.00 C ATOM 421 CG HIS A 27 -2.969 3.595 -33.260 1.00 0.00 C ATOM 422 ND1 HIS A 27 -1.686 4.089 -33.148 1.00 0.00 N ATOM 423 CD2 HIS A 27 -3.313 3.738 -34.561 1.00 0.00 C ATOM 424 CE1 HIS A 27 -1.275 4.513 -34.329 1.00 0.00 C ATOM 425 NE2 HIS A 27 -2.244 4.311 -35.204 1.00 0.00 N ATOM 0 H HIS A 27 -5.001 0.854 -32.929 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.311 1.441 -31.846 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.800 3.113 -32.305 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.531 3.638 -31.216 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.253 3.454 -35.010 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.311 4.950 -34.543 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.204 4.543 -36.196 1.00 0.00 H new ATOM 433 N TYR A 28 -3.022 1.529 -29.397 1.00 0.00 N ATOM 434 CA TYR A 28 -3.344 1.239 -28.004 1.00 0.00 C ATOM 435 C TYR A 28 -4.672 1.876 -27.608 1.00 0.00 C ATOM 436 O TYR A 28 -5.437 1.309 -26.828 1.00 0.00 O ATOM 437 CB TYR A 28 -2.230 1.743 -27.086 1.00 0.00 C ATOM 438 CG TYR A 28 -2.017 3.239 -27.156 1.00 0.00 C ATOM 439 CD1 TYR A 28 -1.196 3.799 -28.126 1.00 0.00 C ATOM 440 CD2 TYR A 28 -2.639 4.092 -26.252 1.00 0.00 C ATOM 441 CE1 TYR A 28 -0.998 5.164 -28.194 1.00 0.00 C ATOM 442 CE2 TYR A 28 -2.448 5.458 -26.313 1.00 0.00 C ATOM 443 CZ TYR A 28 -1.626 5.990 -27.285 1.00 0.00 C ATOM 444 OH TYR A 28 -1.433 7.351 -27.349 1.00 0.00 O ATOM 0 H TYR A 28 -2.119 1.982 -29.535 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.434 0.158 -27.896 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.464 1.466 -26.058 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.299 1.239 -27.348 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.704 3.155 -28.840 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.282 3.679 -25.489 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.355 5.582 -28.954 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.940 6.107 -25.603 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.947 7.788 -26.638 1.00 0.00 H new ATOM 454 N PHE A 29 -4.940 3.058 -28.153 1.00 0.00 N ATOM 455 CA PHE A 29 -6.176 3.774 -27.857 1.00 0.00 C ATOM 456 C PHE A 29 -7.364 3.119 -28.555 1.00 0.00 C ATOM 457 O PHE A 29 -8.516 3.353 -28.193 1.00 0.00 O ATOM 458 CB PHE A 29 -6.059 5.237 -28.291 1.00 0.00 C ATOM 459 CG PHE A 29 -6.656 6.202 -27.307 1.00 0.00 C ATOM 460 CD1 PHE A 29 -5.937 6.613 -26.196 1.00 0.00 C ATOM 461 CD2 PHE A 29 -7.935 6.701 -27.495 1.00 0.00 C ATOM 462 CE1 PHE A 29 -6.485 7.501 -25.289 1.00 0.00 C ATOM 463 CE2 PHE A 29 -8.488 7.589 -26.592 1.00 0.00 C ATOM 464 CZ PHE A 29 -7.761 7.991 -25.488 1.00 0.00 C ATOM 0 H PHE A 29 -4.318 3.540 -28.802 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.341 3.733 -26.780 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.007 5.482 -28.436 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.551 5.362 -29.255 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.938 6.236 -26.037 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.507 6.392 -28.358 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.916 7.811 -24.425 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.487 7.968 -26.749 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.190 8.687 -24.782 1.00 0.00 H new ATOM 474 N ASN A 30 -7.074 2.296 -29.558 1.00 0.00 N ATOM 475 CA ASN A 30 -8.118 1.607 -30.308 1.00 0.00 C ATOM 476 C ASN A 30 -8.498 0.294 -29.631 1.00 0.00 C ATOM 477 O ASN A 30 -9.597 -0.224 -29.832 1.00 0.00 O ATOM 478 CB ASN A 30 -7.653 1.339 -31.741 1.00 0.00 C ATOM 479 CG ASN A 30 -8.812 1.121 -32.694 1.00 0.00 C ATOM 480 OD1 ASN A 30 -9.570 2.046 -32.988 1.00 0.00 O ATOM 481 ND2 ASN A 30 -8.955 -0.106 -33.181 1.00 0.00 N ATOM 0 H ASN A 30 -6.125 2.090 -29.870 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.998 2.250 -30.333 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.054 2.180 -32.089 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.007 0.461 -31.752 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.717 -0.313 -33.827 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.303 -0.842 -32.909 1.00 0.00 H new ATOM 488 N ILE A 31 -7.582 -0.238 -28.829 1.00 0.00 N ATOM 489 CA ILE A 31 -7.822 -1.489 -28.121 1.00 0.00 C ATOM 490 C ILE A 31 -8.236 -1.232 -26.676 1.00 0.00 C ATOM 491 O ILE A 31 -9.023 -1.985 -26.101 1.00 0.00 O ATOM 492 CB ILE A 31 -6.574 -2.391 -28.132 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.365 -1.633 -27.580 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.294 -2.890 -29.542 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.112 -2.476 -27.492 1.00 0.00 C ATOM 0 H ILE A 31 -6.667 0.178 -28.653 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.632 -1.997 -28.644 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.761 -3.253 -27.492 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.168 -0.769 -28.214 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.607 -1.252 -26.588 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.409 -3.526 -29.534 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.149 -3.462 -29.902 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.123 -2.039 -30.202 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.296 -1.874 -27.093 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.291 -3.327 -26.834 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.845 -2.836 -28.486 1.00 0.00 H new ATOM 507 N PHE A 32 -7.703 -0.163 -26.094 1.00 0.00 N ATOM 508 CA PHE A 32 -8.018 0.194 -24.716 1.00 0.00 C ATOM 509 C PHE A 32 -7.929 1.704 -24.512 1.00 0.00 C ATOM 510 O PHE A 32 -7.098 2.376 -25.122 1.00 0.00 O ATOM 511 CB PHE A 32 -7.067 -0.519 -23.752 1.00 0.00 C ATOM 512 CG PHE A 32 -7.409 -1.965 -23.533 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.666 -2.333 -23.081 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.473 -2.957 -23.780 1.00 0.00 C ATOM 515 CE1 PHE A 32 -8.983 -3.662 -22.878 1.00 0.00 C ATOM 516 CE2 PHE A 32 -6.784 -4.288 -23.579 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.041 -4.642 -23.129 1.00 0.00 C ATOM 0 H PHE A 32 -7.051 0.471 -26.555 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.040 -0.124 -24.509 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.050 -0.449 -24.139 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.079 -0.002 -22.793 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.407 -1.572 -22.885 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.489 -2.686 -24.134 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.966 -3.935 -22.524 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.045 -5.051 -23.774 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.287 -5.682 -22.974 1.00 0.00 H new ATOM 527 N ASN A 33 -8.792 2.230 -23.649 1.00 0.00 N ATOM 528 CA ASN A 33 -8.813 3.660 -23.365 1.00 0.00 C ATOM 529 C ASN A 33 -8.198 3.952 -22.000 1.00 0.00 C ATOM 530 O ASN A 33 -8.074 3.062 -21.158 1.00 0.00 O ATOM 531 CB ASN A 33 -10.247 4.191 -23.414 1.00 0.00 C ATOM 532 CG ASN A 33 -10.313 5.697 -23.255 1.00 0.00 C ATOM 533 OD1 ASN A 33 -9.429 6.420 -23.716 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.363 6.178 -22.600 1.00 0.00 N ATOM 0 H ASN A 33 -9.486 1.687 -23.134 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.220 4.165 -24.128 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.704 3.908 -24.363 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.833 3.719 -22.625 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.461 7.184 -22.462 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.072 5.542 -22.235 1.00 0.00 H new ATOM 541 N THR A 34 -7.813 5.207 -21.786 1.00 0.00 N ATOM 542 CA THR A 34 -7.211 5.617 -20.524 1.00 0.00 C ATOM 543 C THR A 34 -8.070 5.191 -19.340 1.00 0.00 C ATOM 544 O THR A 34 -7.578 4.584 -18.388 1.00 0.00 O ATOM 545 CB THR A 34 -7.003 7.143 -20.470 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.216 7.815 -20.827 1.00 0.00 O ATOM 547 CG2 THR A 34 -5.885 7.570 -21.409 1.00 0.00 C ATOM 0 H THR A 34 -7.908 5.957 -22.471 1.00 0.00 H new ATOM 0 HA THR A 34 -6.241 5.123 -20.462 1.00 0.00 H new ATOM 0 HB THR A 34 -6.724 7.414 -19.452 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.076 8.784 -20.789 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.756 8.651 -21.354 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.957 7.079 -21.117 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.139 7.287 -22.430 1.00 0.00 H new ATOM 555 N VAL A 35 -9.359 5.512 -19.404 1.00 0.00 N ATOM 556 CA VAL A 35 -10.288 5.160 -18.337 1.00 0.00 C ATOM 557 C VAL A 35 -10.325 3.652 -18.115 1.00 0.00 C ATOM 558 O VAL A 35 -10.253 3.178 -16.980 1.00 0.00 O ATOM 559 CB VAL A 35 -11.713 5.657 -18.647 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.647 5.357 -17.484 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.700 7.145 -18.962 1.00 0.00 C ATOM 0 H VAL A 35 -9.783 6.015 -20.183 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.929 5.649 -17.431 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.083 5.127 -19.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.649 5.715 -17.720 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.678 4.281 -17.310 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.284 5.859 -16.587 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.714 7.480 -19.179 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.312 7.695 -18.105 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.065 7.328 -19.829 1.00 0.00 H new ATOM 571 N THR A 36 -10.436 2.901 -19.206 1.00 0.00 N ATOM 572 CA THR A 36 -10.483 1.446 -19.131 1.00 0.00 C ATOM 573 C THR A 36 -9.238 0.891 -18.448 1.00 0.00 C ATOM 574 O THR A 36 -9.333 0.072 -17.533 1.00 0.00 O ATOM 575 CB THR A 36 -10.611 0.816 -20.531 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.820 1.258 -21.158 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.605 -0.703 -20.443 1.00 0.00 C ATOM 0 H THR A 36 -10.495 3.277 -20.153 1.00 0.00 H new ATOM 0 HA THR A 36 -11.363 1.187 -18.542 1.00 0.00 H new ATOM 0 HB THR A 36 -9.756 1.133 -21.128 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.893 0.855 -22.048 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.696 -1.126 -21.443 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.671 -1.038 -19.992 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.443 -1.035 -19.831 1.00 0.00 H new ATOM 585 N LEU A 37 -8.072 1.340 -18.898 1.00 0.00 N ATOM 586 CA LEU A 37 -6.807 0.888 -18.329 1.00 0.00 C ATOM 587 C LEU A 37 -6.740 1.196 -16.837 1.00 0.00 C ATOM 588 O LEU A 37 -6.293 0.369 -16.041 1.00 0.00 O ATOM 589 CB LEU A 37 -5.634 1.553 -19.052 1.00 0.00 C ATOM 590 CG LEU A 37 -5.518 1.266 -20.549 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.902 2.452 -21.274 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.697 0.007 -20.789 1.00 0.00 C ATOM 0 H LEU A 37 -7.976 2.017 -19.655 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.743 -0.192 -18.461 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.713 2.631 -18.914 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.709 1.237 -18.569 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.520 1.104 -20.947 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.827 2.229 -22.338 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.529 3.332 -21.131 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.907 2.646 -20.874 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.625 -0.182 -21.860 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.697 0.140 -20.376 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.180 -0.841 -20.303 1.00 0.00 H new ATOM 604 N LYS A 38 -7.189 2.389 -16.463 1.00 0.00 N ATOM 605 CA LYS A 38 -7.184 2.806 -15.066 1.00 0.00 C ATOM 606 C LYS A 38 -8.068 1.893 -14.223 1.00 0.00 C ATOM 607 O LYS A 38 -7.703 1.514 -13.109 1.00 0.00 O ATOM 608 CB LYS A 38 -7.664 4.254 -14.943 1.00 0.00 C ATOM 609 CG LYS A 38 -7.405 4.867 -13.578 1.00 0.00 C ATOM 610 CD LYS A 38 -8.247 6.112 -13.357 1.00 0.00 C ATOM 611 CE LYS A 38 -7.716 7.293 -14.156 1.00 0.00 C ATOM 612 NZ LYS A 38 -8.807 8.218 -14.569 1.00 0.00 N ATOM 0 H LYS A 38 -7.561 3.085 -17.109 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.161 2.736 -14.695 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.168 4.858 -15.703 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.733 4.293 -15.152 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.626 4.135 -12.801 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.349 5.120 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.279 5.911 -13.645 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.256 6.363 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.985 7.837 -13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.195 6.928 -15.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.405 9.009 -15.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.491 7.705 -15.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.288 8.586 -13.724 1.00 0.00 H new ATOM 626 N LYS A 39 -9.231 1.541 -14.760 1.00 0.00 N ATOM 627 CA LYS A 39 -10.166 0.670 -14.059 1.00 0.00 C ATOM 628 C LYS A 39 -9.555 -0.708 -13.825 1.00 0.00 C ATOM 629 O LYS A 39 -9.592 -1.233 -12.711 1.00 0.00 O ATOM 630 CB LYS A 39 -11.465 0.534 -14.857 1.00 0.00 C ATOM 631 CG LYS A 39 -12.608 1.369 -14.304 1.00 0.00 C ATOM 632 CD LYS A 39 -12.413 2.846 -14.600 1.00 0.00 C ATOM 633 CE LYS A 39 -13.441 3.700 -13.873 1.00 0.00 C ATOM 634 NZ LYS A 39 -13.085 3.895 -12.440 1.00 0.00 N ATOM 0 H LYS A 39 -9.549 1.846 -15.680 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.386 1.120 -13.091 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.279 0.826 -15.890 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.765 -0.514 -14.871 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.549 1.031 -14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.681 1.219 -13.227 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.410 3.149 -14.301 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.491 3.016 -15.674 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.519 4.670 -14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.421 3.228 -13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.809 4.482 -11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.035 2.971 -11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.162 4.369 -12.373 1.00 0.00 H new ATOM 648 N LEU A 40 -8.993 -1.288 -14.879 1.00 0.00 N ATOM 649 CA LEU A 40 -8.372 -2.605 -14.788 1.00 0.00 C ATOM 650 C LEU A 40 -7.250 -2.607 -13.755 1.00 0.00 C ATOM 651 O LEU A 40 -7.291 -3.360 -12.782 1.00 0.00 O ATOM 652 CB LEU A 40 -7.825 -3.029 -16.152 1.00 0.00 C ATOM 653 CG LEU A 40 -8.830 -3.035 -17.305 1.00 0.00 C ATOM 654 CD1 LEU A 40 -8.110 -2.926 -18.641 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.686 -4.292 -17.260 1.00 0.00 C ATOM 0 H LEU A 40 -8.954 -0.867 -15.807 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.134 -3.317 -14.472 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.004 -2.362 -16.415 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.405 -4.030 -16.057 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.484 -2.170 -17.196 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.841 -2.932 -19.450 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.541 -1.997 -18.673 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.432 -3.771 -18.759 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.395 -4.279 -18.088 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.047 -5.171 -17.344 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.230 -4.328 -16.316 1.00 0.00 H new ATOM 667 N ALA A 41 -6.251 -1.759 -13.972 1.00 0.00 N ATOM 668 CA ALA A 41 -5.120 -1.660 -13.058 1.00 0.00 C ATOM 669 C ALA A 41 -5.588 -1.376 -11.634 1.00 0.00 C ATOM 670 O ALA A 41 -4.996 -1.857 -10.669 1.00 0.00 O ATOM 671 CB ALA A 41 -4.157 -0.579 -13.524 1.00 0.00 C ATOM 0 H ALA A 41 -6.202 -1.130 -14.773 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.600 -2.618 -13.058 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.317 -0.517 -12.832 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.789 -0.825 -14.520 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.674 0.380 -13.555 1.00 0.00 H new ATOM 677 N GLU A 42 -6.654 -0.590 -11.513 1.00 0.00 N ATOM 678 CA GLU A 42 -7.199 -0.241 -10.206 1.00 0.00 C ATOM 679 C GLU A 42 -7.729 -1.480 -9.489 1.00 0.00 C ATOM 680 O GLU A 42 -7.472 -1.681 -8.303 1.00 0.00 O ATOM 681 CB GLU A 42 -8.317 0.793 -10.356 1.00 0.00 C ATOM 682 CG GLU A 42 -7.828 2.230 -10.306 1.00 0.00 C ATOM 683 CD GLU A 42 -7.839 2.802 -8.901 1.00 0.00 C ATOM 684 OE1 GLU A 42 -8.812 2.543 -8.162 1.00 0.00 O ATOM 685 OE2 GLU A 42 -6.875 3.509 -8.542 1.00 0.00 O ATOM 0 H GLU A 42 -7.156 -0.184 -12.302 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.395 0.187 -9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.830 0.626 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.050 0.640 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.815 2.279 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.456 2.846 -10.950 1.00 0.00 H new ATOM 692 N SER A 43 -8.471 -2.307 -10.219 1.00 0.00 N ATOM 693 CA SER A 43 -9.042 -3.523 -9.653 1.00 0.00 C ATOM 694 C SER A 43 -7.954 -4.560 -9.386 1.00 0.00 C ATOM 695 O SER A 43 -7.869 -5.119 -8.292 1.00 0.00 O ATOM 696 CB SER A 43 -10.096 -4.105 -10.597 1.00 0.00 C ATOM 697 OG SER A 43 -9.636 -4.103 -11.938 1.00 0.00 O ATOM 0 H SER A 43 -8.691 -2.157 -11.204 1.00 0.00 H new ATOM 0 HA SER A 43 -9.516 -3.266 -8.706 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.338 -5.124 -10.294 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.015 -3.524 -10.524 1.00 0.00 H new ATOM 0 HG SER A 43 -8.719 -3.757 -11.969 1.00 0.00 H new ATOM 703 N LEU A 44 -7.125 -4.811 -10.393 1.00 0.00 N ATOM 704 CA LEU A 44 -6.042 -5.780 -10.269 1.00 0.00 C ATOM 705 C LEU A 44 -6.563 -7.116 -9.748 1.00 0.00 C ATOM 706 O LEU A 44 -6.365 -7.459 -8.583 1.00 0.00 O ATOM 707 CB LEU A 44 -4.956 -5.244 -9.334 1.00 0.00 C ATOM 708 CG LEU A 44 -3.798 -4.505 -10.004 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.209 -3.467 -9.061 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.727 -5.488 -10.454 1.00 0.00 C ATOM 0 H LEU A 44 -7.182 -4.357 -11.305 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.615 -5.939 -11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.423 -4.570 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.547 -6.081 -8.767 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.183 -3.989 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.386 -2.951 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.978 -2.745 -8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.840 -3.960 -8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.910 -4.944 -10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.346 -6.032 -9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.156 -6.193 -11.166 1.00 0.00 H new ATOM 722 N SER A 45 -7.229 -7.865 -10.621 1.00 0.00 N ATOM 723 CA SER A 45 -7.780 -9.163 -10.249 1.00 0.00 C ATOM 724 C SER A 45 -7.970 -10.045 -11.479 1.00 0.00 C ATOM 725 O SER A 45 -8.431 -9.584 -12.523 1.00 0.00 O ATOM 726 CB SER A 45 -9.116 -8.985 -9.524 1.00 0.00 C ATOM 727 OG SER A 45 -9.971 -8.110 -10.239 1.00 0.00 O ATOM 0 H SER A 45 -7.400 -7.596 -11.590 1.00 0.00 H new ATOM 0 HA SER A 45 -7.073 -9.651 -9.578 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.600 -9.954 -9.404 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.941 -8.590 -8.523 1.00 0.00 H new ATOM 0 HG SER A 45 -10.444 -7.527 -9.609 1.00 0.00 H new ATOM 733 N SER A 46 -7.611 -11.318 -11.348 1.00 0.00 N ATOM 734 CA SER A 46 -7.737 -12.266 -12.449 1.00 0.00 C ATOM 735 C SER A 46 -9.205 -12.540 -12.764 1.00 0.00 C ATOM 736 O SER A 46 -9.576 -12.740 -13.921 1.00 0.00 O ATOM 737 CB SER A 46 -7.024 -13.575 -12.107 1.00 0.00 C ATOM 738 OG SER A 46 -6.183 -13.418 -10.977 1.00 0.00 O ATOM 0 H SER A 46 -7.230 -11.717 -10.490 1.00 0.00 H new ATOM 0 HA SER A 46 -7.270 -11.826 -13.330 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.761 -14.353 -11.910 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.433 -13.905 -12.961 1.00 0.00 H new ATOM 0 HG SER A 46 -6.471 -14.029 -10.267 1.00 0.00 H new ATOM 744 N ASP A 47 -10.034 -12.548 -11.727 1.00 0.00 N ATOM 745 CA ASP A 47 -11.462 -12.797 -11.891 1.00 0.00 C ATOM 746 C ASP A 47 -12.041 -11.925 -13.001 1.00 0.00 C ATOM 747 O ASP A 47 -12.198 -10.713 -12.854 1.00 0.00 O ATOM 748 CB ASP A 47 -12.202 -12.531 -10.579 1.00 0.00 C ATOM 749 CG ASP A 47 -11.638 -13.335 -9.424 1.00 0.00 C ATOM 750 OD1 ASP A 47 -11.889 -14.558 -9.373 1.00 0.00 O ATOM 751 OD2 ASP A 47 -10.945 -12.742 -8.571 1.00 0.00 O ATOM 0 H ASP A 47 -9.742 -12.385 -10.763 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.594 -13.843 -12.168 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.144 -11.469 -10.341 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.257 -12.772 -10.705 1.00 0.00 H new ATOM 756 N PRO A 48 -12.366 -12.555 -14.140 1.00 0.00 N ATOM 757 CA PRO A 48 -12.932 -11.856 -15.297 1.00 0.00 C ATOM 758 C PRO A 48 -14.356 -11.373 -15.044 1.00 0.00 C ATOM 759 O PRO A 48 -14.919 -10.627 -15.844 1.00 0.00 O ATOM 760 CB PRO A 48 -12.917 -12.921 -16.397 1.00 0.00 C ATOM 761 CG PRO A 48 -12.959 -14.219 -15.668 1.00 0.00 C ATOM 762 CD PRO A 48 -12.206 -13.998 -14.385 1.00 0.00 C ATOM 0 HA PRO A 48 -12.367 -10.958 -15.546 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.773 -12.814 -17.064 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.021 -12.842 -17.013 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.987 -14.522 -15.470 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.501 -15.013 -16.258 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.618 -14.592 -13.570 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.156 -14.275 -14.482 1.00 0.00 H new ATOM 770 N GLU A 49 -14.931 -11.803 -13.925 1.00 0.00 N ATOM 771 CA GLU A 49 -16.290 -11.414 -13.567 1.00 0.00 C ATOM 772 C GLU A 49 -16.356 -9.930 -13.216 1.00 0.00 C ATOM 773 O GLU A 49 -17.214 -9.200 -13.712 1.00 0.00 O ATOM 774 CB GLU A 49 -16.791 -12.251 -12.389 1.00 0.00 C ATOM 775 CG GLU A 49 -17.162 -13.675 -12.768 1.00 0.00 C ATOM 776 CD GLU A 49 -18.231 -13.733 -13.841 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.169 -12.910 -13.790 1.00 0.00 O ATOM 778 OE2 GLU A 49 -18.130 -14.602 -14.733 1.00 0.00 O ATOM 0 H GLU A 49 -14.477 -12.420 -13.252 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.931 -11.595 -14.430 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.020 -12.278 -11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.661 -11.762 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.272 -14.197 -13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.513 -14.203 -11.882 1.00 0.00 H new ATOM 785 N VAL A 50 -15.444 -9.491 -12.354 1.00 0.00 N ATOM 786 CA VAL A 50 -15.397 -8.095 -11.935 1.00 0.00 C ATOM 787 C VAL A 50 -14.997 -7.187 -13.093 1.00 0.00 C ATOM 788 O VAL A 50 -15.456 -6.049 -13.191 1.00 0.00 O ATOM 789 CB VAL A 50 -14.409 -7.891 -10.771 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.975 -8.469 -9.483 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.063 -8.517 -11.100 1.00 0.00 C ATOM 0 H VAL A 50 -14.728 -10.082 -11.932 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.400 -7.831 -11.600 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.260 -6.821 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.263 -8.316 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.913 -7.970 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.154 -9.536 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.377 -8.364 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.191 -9.586 -11.272 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.655 -8.051 -11.997 1.00 0.00 H new ATOM 801 N LEU A 51 -14.137 -7.698 -13.968 1.00 0.00 N ATOM 802 CA LEU A 51 -13.674 -6.933 -15.120 1.00 0.00 C ATOM 803 C LEU A 51 -14.810 -6.701 -16.112 1.00 0.00 C ATOM 804 O LEU A 51 -14.911 -5.633 -16.717 1.00 0.00 O ATOM 805 CB LEU A 51 -12.521 -7.663 -15.811 1.00 0.00 C ATOM 806 CG LEU A 51 -11.436 -8.225 -14.892 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.482 -9.116 -15.674 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.676 -7.097 -14.210 1.00 0.00 C ATOM 0 H LEU A 51 -13.747 -8.638 -13.901 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.323 -5.964 -14.764 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.936 -8.485 -16.395 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.052 -6.976 -16.515 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.917 -8.829 -14.123 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.717 -9.507 -15.003 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.036 -9.945 -16.114 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.008 -8.535 -16.466 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.908 -7.517 -13.560 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.207 -6.466 -14.965 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.367 -6.500 -13.616 1.00 0.00 H new ATOM 820 N LEU A 52 -15.664 -7.705 -16.271 1.00 0.00 N ATOM 821 CA LEU A 52 -16.795 -7.610 -17.187 1.00 0.00 C ATOM 822 C LEU A 52 -17.706 -6.446 -16.808 1.00 0.00 C ATOM 823 O LEU A 52 -18.441 -5.923 -17.646 1.00 0.00 O ATOM 824 CB LEU A 52 -17.590 -8.917 -17.185 1.00 0.00 C ATOM 825 CG LEU A 52 -17.709 -9.633 -18.531 1.00 0.00 C ATOM 826 CD1 LEU A 52 -16.344 -10.107 -19.005 1.00 0.00 C ATOM 827 CD2 LEU A 52 -18.676 -10.803 -18.429 1.00 0.00 C ATOM 0 H LEU A 52 -15.595 -8.595 -15.777 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.405 -7.431 -18.189 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -17.126 -9.600 -16.473 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.595 -8.707 -16.818 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.101 -8.927 -19.263 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -16.448 -10.614 -19.964 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -15.680 -9.250 -19.118 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -15.924 -10.797 -18.273 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.748 -11.301 -19.396 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.314 -11.510 -17.683 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.660 -10.437 -18.135 1.00 0.00 H new ATOM 839 N GLN A 53 -17.650 -6.046 -15.542 1.00 0.00 N ATOM 840 CA GLN A 53 -18.469 -4.943 -15.054 1.00 0.00 C ATOM 841 C GLN A 53 -17.833 -3.600 -15.395 1.00 0.00 C ATOM 842 O GLN A 53 -18.376 -2.544 -15.067 1.00 0.00 O ATOM 843 CB GLN A 53 -18.666 -5.057 -13.541 1.00 0.00 C ATOM 844 CG GLN A 53 -19.815 -5.971 -13.145 1.00 0.00 C ATOM 845 CD GLN A 53 -19.963 -6.104 -11.642 1.00 0.00 C ATOM 846 OE1 GLN A 53 -21.054 -5.935 -11.097 1.00 0.00 O ATOM 847 NE2 GLN A 53 -18.863 -6.409 -10.963 1.00 0.00 N ATOM 0 H GLN A 53 -17.047 -6.469 -14.836 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.440 -5.000 -15.546 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.746 -5.428 -13.090 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.845 -4.063 -13.130 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.743 -5.584 -13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.656 -6.958 -13.579 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.980 -6.540 -11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.902 -6.512 -9.949 1.00 0.00 H new ATOM 856 N ILE A 54 -16.681 -3.647 -16.055 1.00 0.00 N ATOM 857 CA ILE A 54 -15.972 -2.433 -16.441 1.00 0.00 C ATOM 858 C ILE A 54 -16.309 -2.032 -17.873 1.00 0.00 C ATOM 859 O ILE A 54 -16.085 -2.796 -18.812 1.00 0.00 O ATOM 860 CB ILE A 54 -14.447 -2.607 -16.315 1.00 0.00 C ATOM 861 CG1 ILE A 54 -14.090 -3.184 -14.943 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.742 -1.278 -16.536 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.609 -3.428 -14.757 1.00 0.00 C ATOM 0 H ILE A 54 -16.219 -4.512 -16.334 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.298 -1.647 -15.759 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.111 -3.306 -17.081 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.437 -2.500 -14.169 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.625 -4.123 -14.802 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.665 -1.418 -16.444 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.975 -0.904 -17.533 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.080 -0.558 -15.790 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.430 -3.837 -13.763 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.260 -4.136 -15.509 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.069 -2.487 -14.865 1.00 0.00 H new ATOM 875 N ASP A 55 -16.847 -0.828 -18.033 1.00 0.00 N ATOM 876 CA ASP A 55 -17.212 -0.323 -19.352 1.00 0.00 C ATOM 877 C ASP A 55 -16.000 -0.293 -20.277 1.00 0.00 C ATOM 878 O ASP A 55 -14.955 0.257 -19.932 1.00 0.00 O ATOM 879 CB ASP A 55 -17.815 1.078 -19.235 1.00 0.00 C ATOM 880 CG ASP A 55 -18.289 1.617 -20.571 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.110 0.941 -21.226 1.00 0.00 O ATOM 882 OD2 ASP A 55 -17.840 2.715 -20.960 1.00 0.00 O ATOM 0 H ASP A 55 -17.040 -0.184 -17.266 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.955 -0.996 -19.779 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.653 1.053 -18.538 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.072 1.756 -18.815 1.00 0.00 H new ATOM 887 N GLY A 56 -16.147 -0.890 -21.456 1.00 0.00 N ATOM 888 CA GLY A 56 -15.056 -0.922 -22.413 1.00 0.00 C ATOM 889 C GLY A 56 -14.295 -2.232 -22.381 1.00 0.00 C ATOM 890 O GLY A 56 -13.074 -2.253 -22.538 1.00 0.00 O ATOM 0 H GLY A 56 -17.002 -1.352 -21.766 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.451 -0.760 -23.416 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.370 -0.101 -22.204 1.00 0.00 H new ATOM 894 N VAL A 57 -15.017 -3.329 -22.177 1.00 0.00 N ATOM 895 CA VAL A 57 -14.402 -4.650 -22.124 1.00 0.00 C ATOM 896 C VAL A 57 -15.352 -5.720 -22.651 1.00 0.00 C ATOM 897 O VAL A 57 -16.317 -6.094 -21.982 1.00 0.00 O ATOM 898 CB VAL A 57 -13.980 -5.016 -20.689 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.316 -6.384 -20.659 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.054 -3.952 -20.119 1.00 0.00 C ATOM 0 H VAL A 57 -16.029 -3.329 -22.046 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.515 -4.612 -22.757 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.874 -5.060 -20.066 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.025 -6.625 -19.637 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.016 -7.136 -21.024 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.431 -6.373 -21.295 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.765 -4.226 -19.104 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.162 -3.874 -20.741 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.570 -2.992 -20.102 1.00 0.00 H new ATOM 910 N THR A 58 -15.074 -6.210 -23.855 1.00 0.00 N ATOM 911 CA THR A 58 -15.904 -7.237 -24.472 1.00 0.00 C ATOM 912 C THR A 58 -15.264 -8.614 -24.340 1.00 0.00 C ATOM 913 O THR A 58 -14.063 -8.730 -24.099 1.00 0.00 O ATOM 914 CB THR A 58 -16.149 -6.939 -25.964 1.00 0.00 C ATOM 915 OG1 THR A 58 -14.917 -6.583 -26.601 1.00 0.00 O ATOM 916 CG2 THR A 58 -17.157 -5.812 -26.131 1.00 0.00 C ATOM 0 H THR A 58 -14.280 -5.912 -24.422 1.00 0.00 H new ATOM 0 HA THR A 58 -16.858 -7.231 -23.945 1.00 0.00 H new ATOM 0 HB THR A 58 -16.552 -7.838 -26.431 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.081 -6.397 -27.549 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.314 -5.619 -27.192 1.00 0.00 H new ATOM 0 HG22 THR A 58 -18.102 -6.098 -25.670 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.777 -4.910 -25.650 1.00 0.00 H new ATOM 924 N GLU A 59 -16.075 -9.656 -24.499 1.00 0.00 N ATOM 925 CA GLU A 59 -15.586 -11.026 -24.396 1.00 0.00 C ATOM 926 C GLU A 59 -14.416 -11.259 -25.348 1.00 0.00 C ATOM 927 O GLU A 59 -13.428 -11.900 -24.989 1.00 0.00 O ATOM 928 CB GLU A 59 -16.711 -12.017 -24.702 1.00 0.00 C ATOM 929 CG GLU A 59 -16.433 -13.426 -24.205 1.00 0.00 C ATOM 930 CD GLU A 59 -17.074 -14.488 -25.076 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.065 -14.170 -25.768 1.00 0.00 O ATOM 932 OE2 GLU A 59 -16.587 -15.638 -25.067 1.00 0.00 O ATOM 0 H GLU A 59 -17.072 -9.577 -24.699 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.239 -11.185 -23.375 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.634 -11.657 -24.249 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.875 -12.046 -25.779 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.356 -13.590 -24.172 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.802 -13.527 -23.184 1.00 0.00 H new ATOM 939 N ASP A 60 -14.536 -10.734 -26.562 1.00 0.00 N ATOM 940 CA ASP A 60 -13.489 -10.883 -27.566 1.00 0.00 C ATOM 941 C ASP A 60 -12.233 -10.118 -27.161 1.00 0.00 C ATOM 942 O ASP A 60 -11.119 -10.631 -27.263 1.00 0.00 O ATOM 943 CB ASP A 60 -13.984 -10.392 -28.927 1.00 0.00 C ATOM 944 CG ASP A 60 -14.945 -11.366 -29.580 1.00 0.00 C ATOM 945 OD1 ASP A 60 -14.471 -12.306 -30.251 1.00 0.00 O ATOM 946 OD2 ASP A 60 -16.171 -11.187 -29.421 1.00 0.00 O ATOM 0 H ASP A 60 -15.348 -10.201 -26.875 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.239 -11.941 -27.639 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.476 -9.427 -28.805 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.130 -10.233 -29.585 1.00 0.00 H new ATOM 951 N LYS A 61 -12.421 -8.885 -26.701 1.00 0.00 N ATOM 952 CA LYS A 61 -11.305 -8.047 -26.280 1.00 0.00 C ATOM 953 C LYS A 61 -10.532 -8.703 -25.140 1.00 0.00 C ATOM 954 O LYS A 61 -9.307 -8.820 -25.194 1.00 0.00 O ATOM 955 CB LYS A 61 -11.811 -6.671 -25.841 1.00 0.00 C ATOM 956 CG LYS A 61 -12.125 -5.741 -27.000 1.00 0.00 C ATOM 957 CD LYS A 61 -12.614 -4.387 -26.512 1.00 0.00 C ATOM 958 CE LYS A 61 -12.999 -3.482 -27.672 1.00 0.00 C ATOM 959 NZ LYS A 61 -11.809 -2.831 -28.286 1.00 0.00 N ATOM 0 H LYS A 61 -13.336 -8.444 -26.611 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.633 -7.926 -27.130 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.708 -6.799 -25.235 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.060 -6.203 -25.204 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.233 -5.608 -27.613 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.884 -6.195 -27.637 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.473 -4.524 -25.856 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.834 -3.909 -25.920 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.525 -4.065 -28.428 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.691 -2.717 -27.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.113 -2.223 -29.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.321 -2.254 -27.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.160 -3.561 -28.644 1.00 0.00 H new ATOM 973 N LEU A 62 -11.254 -9.131 -24.111 1.00 0.00 N ATOM 974 CA LEU A 62 -10.636 -9.777 -22.958 1.00 0.00 C ATOM 975 C LEU A 62 -10.092 -11.152 -23.332 1.00 0.00 C ATOM 976 O LEU A 62 -9.153 -11.648 -22.710 1.00 0.00 O ATOM 977 CB LEU A 62 -11.649 -9.910 -21.819 1.00 0.00 C ATOM 978 CG LEU A 62 -12.877 -10.772 -22.109 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.556 -12.244 -21.906 1.00 0.00 C ATOM 980 CD2 LEU A 62 -14.044 -10.352 -21.228 1.00 0.00 C ATOM 0 H LEU A 62 -12.268 -9.043 -24.051 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.805 -9.155 -22.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.137 -10.324 -20.951 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.988 -8.912 -21.543 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.163 -10.624 -23.150 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.442 -12.842 -22.117 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.751 -12.537 -22.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.244 -12.409 -20.875 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.910 -10.977 -21.448 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.769 -10.469 -20.180 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.290 -9.308 -21.424 1.00 0.00 H new ATOM 992 N GLU A 63 -10.687 -11.761 -24.353 1.00 0.00 N ATOM 993 CA GLU A 63 -10.260 -13.078 -24.810 1.00 0.00 C ATOM 994 C GLU A 63 -8.934 -12.991 -25.559 1.00 0.00 C ATOM 995 O GLU A 63 -8.125 -13.918 -25.523 1.00 0.00 O ATOM 996 CB GLU A 63 -11.328 -13.701 -25.712 1.00 0.00 C ATOM 997 CG GLU A 63 -10.880 -14.984 -26.391 1.00 0.00 C ATOM 998 CD GLU A 63 -11.961 -15.592 -27.262 1.00 0.00 C ATOM 999 OE1 GLU A 63 -13.127 -15.636 -26.818 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.641 -16.024 -28.390 1.00 0.00 O ATOM 0 H GLU A 63 -11.465 -11.364 -24.879 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.121 -13.711 -23.933 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.218 -13.906 -25.118 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.614 -12.977 -26.475 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.000 -14.780 -27.001 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.581 -15.707 -25.632 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.718 -11.870 -26.239 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.491 -11.658 -26.997 1.00 0.00 C ATOM 1009 C LYS A 64 -6.407 -11.044 -26.117 1.00 0.00 C ATOM 1010 O LYS A 64 -5.286 -11.550 -26.052 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.760 -10.752 -28.200 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.454 -11.459 -29.352 1.00 0.00 C ATOM 1013 CD LYS A 64 -9.075 -10.468 -30.322 1.00 0.00 C ATOM 1014 CE LYS A 64 -10.160 -11.120 -31.165 1.00 0.00 C ATOM 1015 NZ LYS A 64 -11.127 -10.118 -31.695 1.00 0.00 N ATOM 0 H LYS A 64 -9.378 -11.093 -26.280 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.141 -12.627 -27.351 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.373 -9.910 -27.880 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.814 -10.342 -28.554 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.736 -12.086 -29.881 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.227 -12.120 -28.961 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.498 -9.630 -29.767 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.302 -10.061 -30.973 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.701 -11.657 -31.995 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.693 -11.857 -30.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.870 -10.605 -32.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.558 -9.599 -30.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.628 -9.449 -32.316 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.747 -9.952 -25.442 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.803 -9.269 -24.567 1.00 0.00 C ATOM 1031 C TYR A 65 -6.046 -9.640 -23.107 1.00 0.00 C ATOM 1032 O TYR A 65 -5.126 -10.037 -22.394 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.914 -7.754 -24.745 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.559 -7.343 -26.049 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.981 -7.676 -27.268 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.747 -6.623 -26.063 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.567 -7.302 -28.462 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.341 -6.247 -27.252 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.747 -6.588 -28.449 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.334 -6.215 -29.636 1.00 0.00 O ATOM 0 H TYR A 65 -7.670 -9.521 -25.484 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.797 -9.588 -24.841 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.491 -7.341 -23.918 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.917 -7.316 -24.688 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.058 -8.237 -27.282 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.214 -6.352 -25.128 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.103 -7.567 -29.401 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.266 -5.689 -27.244 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.159 -5.720 -29.451 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.295 -9.507 -22.670 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.639 -9.832 -21.298 1.00 0.00 C ATOM 1052 C GLY A 66 -6.907 -11.059 -20.792 1.00 0.00 C ATOM 1053 O GLY A 66 -6.473 -11.100 -19.641 1.00 0.00 O ATOM 0 H GLY A 66 -8.074 -9.180 -23.241 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.404 -8.982 -20.657 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.714 -9.998 -21.226 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.771 -12.062 -21.653 1.00 0.00 N ATOM 1058 CA ALA A 67 -6.087 -13.296 -21.287 1.00 0.00 C ATOM 1059 C ALA A 67 -4.776 -13.003 -20.565 1.00 0.00 C ATOM 1060 O ALA A 67 -4.555 -13.469 -19.447 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.832 -14.145 -22.523 1.00 0.00 C ATOM 0 H ALA A 67 -7.126 -12.044 -22.609 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.731 -13.851 -20.605 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.321 -15.063 -22.234 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.782 -14.392 -22.997 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.210 -13.589 -23.225 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.910 -12.229 -21.211 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.620 -11.876 -20.630 1.00 0.00 C ATOM 1069 C GLU A 68 -2.802 -11.181 -19.283 1.00 0.00 C ATOM 1070 O GLU A 68 -1.999 -11.359 -18.367 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.837 -10.969 -21.582 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.736 -11.515 -22.996 1.00 0.00 C ATOM 1073 CD GLU A 68 -1.306 -12.969 -23.031 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -0.255 -13.292 -22.440 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -2.022 -13.784 -23.650 1.00 0.00 O ATOM 0 H GLU A 68 -4.078 -11.835 -22.136 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.058 -12.796 -20.472 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.315 -9.990 -21.613 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.832 -10.821 -21.186 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.702 -11.414 -23.490 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.024 -10.916 -23.563 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.863 -10.388 -19.171 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.151 -9.667 -17.938 1.00 0.00 C ATOM 1084 C VAL A 69 -4.436 -10.630 -16.791 1.00 0.00 C ATOM 1085 O VAL A 69 -3.965 -10.435 -15.671 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.354 -8.720 -18.110 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.557 -7.881 -16.857 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.164 -7.834 -19.331 1.00 0.00 C ATOM 0 H VAL A 69 -4.537 -10.229 -19.920 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.265 -9.078 -17.702 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.250 -9.322 -18.263 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.411 -7.218 -16.997 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.742 -8.537 -16.006 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.663 -7.286 -16.669 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.023 -7.172 -19.437 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.259 -7.238 -19.211 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.073 -8.456 -20.221 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.210 -11.672 -17.079 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.557 -12.667 -16.073 1.00 0.00 C ATOM 1100 C ILE A 70 -4.332 -13.471 -15.650 1.00 0.00 C ATOM 1101 O ILE A 70 -4.096 -13.685 -14.461 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.640 -13.634 -16.586 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.801 -12.852 -17.204 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.135 -14.523 -15.456 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -8.316 -11.737 -16.321 1.00 0.00 C ATOM 0 H ILE A 70 -5.608 -11.848 -18.001 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.947 -12.123 -15.213 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.203 -14.269 -17.357 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.479 -12.431 -18.156 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.618 -13.540 -17.420 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.900 -15.201 -15.835 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.302 -15.102 -15.057 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.558 -13.904 -14.665 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.138 -11.226 -16.822 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.669 -12.154 -15.378 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.512 -11.027 -16.126 1.00 0.00 H new ATOM 1117 N SER A 71 -3.553 -13.913 -16.633 1.00 0.00 N ATOM 1118 CA SER A 71 -2.353 -14.696 -16.364 1.00 0.00 C ATOM 1119 C SER A 71 -1.390 -13.923 -15.467 1.00 0.00 C ATOM 1120 O SER A 71 -0.864 -14.461 -14.493 1.00 0.00 O ATOM 1121 CB SER A 71 -1.658 -15.071 -17.674 1.00 0.00 C ATOM 1122 OG SER A 71 -0.340 -15.535 -17.438 1.00 0.00 O ATOM 0 H SER A 71 -3.732 -13.742 -17.623 1.00 0.00 H new ATOM 0 HA SER A 71 -2.652 -15.607 -15.847 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.232 -15.843 -18.186 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.629 -14.205 -18.335 1.00 0.00 H new ATOM 0 HG SER A 71 0.082 -15.770 -18.291 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.164 -12.658 -15.805 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.266 -11.809 -15.031 1.00 0.00 C ATOM 1130 C VAL A 72 -0.803 -11.580 -13.623 1.00 0.00 C ATOM 1131 O VAL A 72 -0.083 -11.745 -12.638 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.053 -10.445 -15.716 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.858 -9.563 -14.878 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.513 -10.635 -17.115 1.00 0.00 C ATOM 0 H VAL A 72 -1.590 -12.198 -16.610 1.00 0.00 H new ATOM 0 HA VAL A 72 0.689 -12.331 -14.972 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.019 -9.947 -15.804 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.997 -8.604 -15.378 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.407 -9.400 -13.899 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.825 -10.051 -14.755 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.657 -9.662 -17.584 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.470 -11.153 -17.053 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.182 -11.226 -17.711 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.072 -11.199 -13.535 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.708 -10.948 -12.246 1.00 0.00 C ATOM 1146 C LEU A 73 -2.720 -12.209 -11.389 1.00 0.00 C ATOM 1147 O LEU A 73 -2.691 -12.136 -10.161 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.137 -10.443 -12.450 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.276 -9.053 -13.073 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.687 -8.842 -13.598 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -3.915 -7.976 -12.060 1.00 0.00 C ATOM 0 H LEU A 73 -2.681 -11.057 -14.341 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.130 -10.184 -11.727 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.666 -11.157 -13.081 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.641 -10.438 -11.483 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.584 -8.981 -13.912 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.767 -7.848 -14.038 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.909 -9.593 -14.356 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.398 -8.934 -12.777 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.020 -6.994 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.582 -8.047 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.885 -8.115 -11.732 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.760 -13.364 -12.046 1.00 0.00 N ATOM 1164 CA GLN A 74 -2.773 -14.642 -11.343 1.00 0.00 C ATOM 1165 C GLN A 74 -1.409 -14.940 -10.730 1.00 0.00 C ATOM 1166 O GLN A 74 -1.298 -15.193 -9.530 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.174 -15.768 -12.298 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.597 -16.262 -12.092 1.00 0.00 C ATOM 1169 CD GLN A 74 -4.875 -16.661 -10.656 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -3.958 -16.989 -9.902 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.145 -16.634 -10.269 1.00 0.00 N ATOM 0 H GLN A 74 -2.784 -13.441 -13.063 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.506 -14.579 -10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.064 -15.419 -13.325 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.486 -16.604 -12.170 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.296 -15.480 -12.389 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.779 -17.116 -12.744 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.873 -16.356 -10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.393 -16.891 -9.314 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.373 -14.910 -11.561 1.00 0.00 N ATOM 1181 CA LYS A 75 0.985 -15.177 -11.102 1.00 0.00 C ATOM 1182 C LYS A 75 1.397 -14.186 -10.018 1.00 0.00 C ATOM 1183 O LYS A 75 2.111 -14.539 -9.080 1.00 0.00 O ATOM 1184 CB LYS A 75 1.966 -15.104 -12.275 1.00 0.00 C ATOM 1185 CG LYS A 75 1.958 -13.764 -12.991 1.00 0.00 C ATOM 1186 CD LYS A 75 3.013 -13.710 -14.084 1.00 0.00 C ATOM 1187 CE LYS A 75 2.536 -14.400 -15.353 1.00 0.00 C ATOM 1188 NZ LYS A 75 3.666 -14.995 -16.119 1.00 0.00 N ATOM 0 H LYS A 75 -0.448 -14.703 -12.557 1.00 0.00 H new ATOM 0 HA LYS A 75 1.008 -16.181 -10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.973 -15.305 -11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.724 -15.890 -12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.974 -13.588 -13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.137 -12.965 -12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.258 -12.671 -14.304 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.928 -14.186 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.821 -15.181 -15.095 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.010 -13.681 -15.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.300 -15.456 -16.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.336 -14.246 -16.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.153 -15.699 -15.529 1.00 0.00 H new ATOM 1202 N TYR A 76 0.941 -12.945 -10.153 1.00 0.00 N ATOM 1203 CA TYR A 76 1.264 -11.903 -9.186 1.00 0.00 C ATOM 1204 C TYR A 76 0.403 -12.038 -7.933 1.00 0.00 C ATOM 1205 O TYR A 76 0.807 -11.635 -6.843 1.00 0.00 O ATOM 1206 CB TYR A 76 1.064 -10.521 -9.809 1.00 0.00 C ATOM 1207 CG TYR A 76 0.250 -9.581 -8.949 1.00 0.00 C ATOM 1208 CD1 TYR A 76 0.862 -8.765 -8.005 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -1.131 -9.509 -9.079 1.00 0.00 C ATOM 1210 CE1 TYR A 76 0.123 -7.905 -7.216 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.879 -8.651 -8.296 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.248 -7.851 -7.366 1.00 0.00 C ATOM 1213 OH TYR A 76 -1.989 -6.996 -6.583 1.00 0.00 O ATOM 0 H TYR A 76 0.347 -12.637 -10.923 1.00 0.00 H new ATOM 0 HA TYR A 76 2.310 -12.018 -8.901 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.039 -10.073 -9.999 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.571 -10.635 -10.775 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.935 -8.804 -7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.629 -10.135 -9.805 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.615 -7.279 -6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.952 -8.607 -8.411 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.938 -7.079 -6.815 1.00 0.00 H new ATOM 1223 N SER A 77 -0.786 -12.609 -8.099 1.00 0.00 N ATOM 1224 CA SER A 77 -1.706 -12.795 -6.983 1.00 0.00 C ATOM 1225 C SER A 77 -1.177 -13.845 -6.011 1.00 0.00 C ATOM 1226 O SER A 77 -1.371 -13.739 -4.801 1.00 0.00 O ATOM 1227 CB SER A 77 -3.087 -13.209 -7.497 1.00 0.00 C ATOM 1228 OG SER A 77 -3.885 -12.074 -7.783 1.00 0.00 O ATOM 0 H SER A 77 -1.134 -12.950 -8.995 1.00 0.00 H new ATOM 0 HA SER A 77 -1.792 -11.846 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.977 -13.816 -8.396 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.585 -13.829 -6.752 1.00 0.00 H new ATOM 0 HG SER A 77 -3.711 -11.774 -8.700 1.00 0.00 H new