USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 19 ASN : amide:sc= 0.345 K(o=0.88,f=-5.9!) USER MOD Set 1.2: A 31 GLN : amide:sc= 0.536 K(o=0.88,f=-0.97) USER MOD Single : A 17 HIS : no HD1:sc= 1 K(o=1,f=-4.8!) USER MOD Single : A 21 LYS NZ :NH3+ -146:sc= 1.25 (180deg=-0.497) USER MOD Single : A 25 GLN : amide:sc= 1.09 K(o=1.1,f=-0.8) USER MOD Single : A 28 SER OG : rot -81:sc= 0.0727! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= 1.02 (180deg=-0.655) USER MOD Single : A 37 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.2) USER MOD Single : A 38 THR OG1 : rot 76:sc= -0.009 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0777 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.806) USER MOD Single : A 44 MET CE :methyl -155:sc= -0.377 (180deg=-1.25) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -43:sc= -4.16! USER MOD Single : A 51 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.26) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00446 USER MOD Single : A 55 MET CE :methyl -143:sc= 0 (180deg=-0.205) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 68 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.65) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 75 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.81) USER MOD Single : A 78 MET CE :methyl 137:sc= -0.287 (180deg=-2.2) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 89 GLN : amide:sc= -0.261 K(o=-0.26,f=-1) USER MOD Single : A 90 GLN : amide:sc= 0.0608 K(o=0.061,f=-3.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.575 14.620 -0.591 1.00 10.00 N ATOM 2 CA ASP A 16 9.602 14.721 0.492 1.00 10.00 C ATOM 3 C ASP A 16 8.660 13.529 0.480 1.00 10.00 C ATOM 4 O ASP A 16 8.546 12.822 -0.523 1.00 10.00 O ATOM 5 CB ASP A 16 8.772 16.003 0.363 1.00 10.00 C ATOM 6 CG ASP A 16 9.559 17.262 0.669 1.00 10.00 C ATOM 7 OD1 ASP A 16 10.029 17.416 1.817 1.00 10.00 O ATOM 8 OD2 ASP A 16 9.685 18.121 -0.231 1.00 10.00 O ATOM 0 HA ASP A 16 10.158 14.740 1.429 1.00 10.00 H new ATOM 0 HB2 ASP A 16 8.374 16.069 -0.650 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.918 15.944 1.038 1.00 10.00 H new ATOM 13 N HIS A 17 7.988 13.310 1.596 1.00 10.00 N ATOM 14 CA HIS A 17 7.035 12.221 1.709 1.00 10.00 C ATOM 15 C HIS A 17 5.640 12.741 1.412 1.00 10.00 C ATOM 16 O HIS A 17 5.190 13.710 2.028 1.00 10.00 O ATOM 17 CB HIS A 17 7.069 11.605 3.109 1.00 10.00 C ATOM 18 CG HIS A 17 8.098 10.532 3.272 1.00 10.00 C ATOM 19 ND1 HIS A 17 9.360 10.811 3.742 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.997 9.201 3.038 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.995 9.654 3.782 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.209 8.654 3.366 1.00 10.00 N ATOM 0 H HIS A 17 8.085 13.874 2.440 1.00 10.00 H new ATOM 0 HA HIS A 17 7.304 11.447 0.990 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.261 12.393 3.838 1.00 10.00 H new ATOM 0 HB3 HIS A 17 6.087 11.191 3.338 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.130 8.675 2.666 1.00 10.00 H new ATOM 0 HE1 HIS A 17 11.017 9.531 4.108 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.465 7.668 3.305 1.00 10.00 H new ATOM 30 N ILE A 18 4.970 12.114 0.465 1.00 10.00 N ATOM 31 CA ILE A 18 3.629 12.517 0.092 1.00 10.00 C ATOM 32 C ILE A 18 2.613 11.577 0.734 1.00 10.00 C ATOM 33 O ILE A 18 2.865 10.377 0.872 1.00 10.00 O ATOM 34 CB ILE A 18 3.463 12.549 -1.448 1.00 10.00 C ATOM 35 CG1 ILE A 18 2.141 13.208 -1.837 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.556 11.149 -2.045 1.00 10.00 C ATOM 37 CD1 ILE A 18 2.053 13.561 -3.303 1.00 10.00 C ATOM 0 H ILE A 18 5.335 11.320 -0.062 1.00 10.00 H new ATOM 0 HA ILE A 18 3.453 13.529 0.458 1.00 10.00 H new ATOM 0 HB ILE A 18 4.280 13.144 -1.856 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.321 12.537 -1.583 1.00 10.00 H new ATOM 0 HG13 ILE A 18 2.007 14.113 -1.245 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.436 11.206 -3.127 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.529 10.717 -1.811 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.770 10.521 -1.625 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.088 14.025 -3.508 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.852 14.257 -3.558 1.00 10.00 H new ATOM 0 HD13 ILE A 18 2.155 12.656 -3.902 1.00 10.00 H new ATOM 49 N ASN A 19 1.481 12.118 1.152 1.00 10.00 N ATOM 50 CA ASN A 19 0.461 11.306 1.792 1.00 10.00 C ATOM 51 C ASN A 19 -0.805 11.259 0.961 1.00 10.00 C ATOM 52 O ASN A 19 -1.381 12.287 0.623 1.00 10.00 O ATOM 53 CB ASN A 19 0.154 11.834 3.194 1.00 10.00 C ATOM 54 CG ASN A 19 1.172 11.374 4.217 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.987 10.357 4.890 1.00 10.00 O ATOM 56 ND2 ASN A 19 2.256 12.121 4.347 1.00 10.00 N ATOM 0 H ASN A 19 1.247 13.107 1.061 1.00 10.00 H new ATOM 0 HA ASN A 19 0.849 10.291 1.876 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.131 12.924 3.172 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.838 11.500 3.497 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.975 11.863 5.022 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.373 12.955 3.772 1.00 10.00 H new ATOM 63 N LEU A 20 -1.223 10.056 0.618 1.00 10.00 N ATOM 64 CA LEU A 20 -2.428 9.860 -0.169 1.00 10.00 C ATOM 65 C LEU A 20 -3.520 9.281 0.715 1.00 10.00 C ATOM 66 O LEU A 20 -3.237 8.803 1.812 1.00 10.00 O ATOM 67 CB LEU A 20 -2.139 8.937 -1.354 1.00 10.00 C ATOM 68 CG LEU A 20 -0.980 9.388 -2.243 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.706 8.360 -3.330 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.283 10.746 -2.857 1.00 10.00 C ATOM 0 H LEU A 20 -0.743 9.193 0.874 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.766 10.818 -0.563 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.922 7.938 -0.975 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -3.039 8.858 -1.964 1.00 10.00 H new ATOM 0 HG LEU A 20 -0.086 9.478 -1.626 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.122 8.700 -3.952 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -0.448 7.406 -2.871 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.596 8.237 -3.947 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.449 11.054 -3.487 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.188 10.679 -3.460 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.429 11.479 -2.064 1.00 10.00 H new ATOM 82 N LYS A 21 -4.759 9.323 0.253 1.00 10.00 N ATOM 83 CA LYS A 21 -5.871 8.809 1.038 1.00 10.00 C ATOM 84 C LYS A 21 -6.672 7.779 0.256 1.00 10.00 C ATOM 85 O LYS A 21 -7.165 8.054 -0.838 1.00 10.00 O ATOM 86 CB LYS A 21 -6.783 9.957 1.478 1.00 10.00 C ATOM 87 CG LYS A 21 -6.082 10.994 2.342 1.00 10.00 C ATOM 88 CD LYS A 21 -7.039 12.076 2.810 1.00 10.00 C ATOM 89 CE LYS A 21 -6.311 13.166 3.580 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.213 14.297 3.933 1.00 10.00 N ATOM 0 H LYS A 21 -5.020 9.705 -0.656 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.459 8.319 1.920 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.188 10.448 0.593 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.628 9.547 2.031 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.635 10.504 3.207 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.268 11.448 1.777 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.545 12.513 1.949 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.809 11.634 3.442 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -5.885 12.744 4.490 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.479 13.539 2.982 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.678 15.188 3.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -7.995 14.344 3.249 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -7.598 14.149 4.888 1.00 10.00 H new ATOM 104 N VAL A 22 -6.783 6.587 0.817 1.00 10.00 N ATOM 105 CA VAL A 22 -7.536 5.513 0.189 1.00 10.00 C ATOM 106 C VAL A 22 -9.004 5.609 0.585 1.00 10.00 C ATOM 107 O VAL A 22 -9.327 5.677 1.771 1.00 10.00 O ATOM 108 CB VAL A 22 -6.985 4.128 0.592 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.787 3.011 -0.057 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.513 4.011 0.226 1.00 10.00 C ATOM 0 H VAL A 22 -6.359 6.337 1.711 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.435 5.621 -0.891 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.082 4.028 1.673 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.377 2.047 0.244 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.828 3.078 0.261 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.732 3.106 -1.141 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.143 3.028 0.518 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.394 4.139 -0.850 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.946 4.782 0.748 1.00 10.00 H new ATOM 120 N ALA A 23 -9.881 5.622 -0.404 1.00 10.00 N ATOM 121 CA ALA A 23 -11.308 5.720 -0.153 1.00 10.00 C ATOM 122 C ALA A 23 -11.934 4.342 0.002 1.00 10.00 C ATOM 123 O ALA A 23 -12.098 3.606 -0.975 1.00 10.00 O ATOM 124 CB ALA A 23 -11.991 6.486 -1.274 1.00 10.00 C ATOM 0 H ALA A 23 -9.629 5.566 -1.391 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.449 6.263 0.782 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -13.060 6.551 -1.072 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.572 7.490 -1.337 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.832 5.967 -2.219 1.00 10.00 H new ATOM 130 N GLY A 24 -12.253 3.987 1.238 1.00 10.00 N ATOM 131 CA GLY A 24 -12.872 2.708 1.501 1.00 10.00 C ATOM 132 C GLY A 24 -14.354 2.749 1.199 1.00 10.00 C ATOM 133 O GLY A 24 -15.012 3.760 1.447 1.00 10.00 O ATOM 0 H GLY A 24 -12.093 4.564 2.064 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.395 1.938 0.895 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.718 2.433 2.544 1.00 10.00 H new ATOM 137 N GLN A 25 -14.886 1.651 0.679 1.00 10.00 N ATOM 138 CA GLN A 25 -16.301 1.573 0.327 1.00 10.00 C ATOM 139 C GLN A 25 -17.195 1.670 1.561 1.00 10.00 C ATOM 140 O GLN A 25 -18.391 1.946 1.455 1.00 10.00 O ATOM 141 CB GLN A 25 -16.589 0.273 -0.430 1.00 10.00 C ATOM 142 CG GLN A 25 -15.827 0.152 -1.741 1.00 10.00 C ATOM 143 CD GLN A 25 -16.046 1.341 -2.651 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.122 1.935 -2.673 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.029 1.702 -3.409 1.00 10.00 N ATOM 0 H GLN A 25 -14.359 0.799 0.490 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.528 2.422 -0.317 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.335 -0.573 0.208 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.658 0.209 -0.633 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.762 0.051 -1.531 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.138 -0.757 -2.256 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.151 1.185 -3.364 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.121 2.498 -4.040 1.00 10.00 H new ATOM 154 N ASP A 26 -16.610 1.446 2.729 1.00 10.00 N ATOM 155 CA ASP A 26 -17.353 1.505 3.983 1.00 10.00 C ATOM 156 C ASP A 26 -17.308 2.906 4.589 1.00 10.00 C ATOM 157 O ASP A 26 -18.186 3.277 5.367 1.00 10.00 O ATOM 158 CB ASP A 26 -16.792 0.497 4.986 1.00 10.00 C ATOM 159 CG ASP A 26 -15.421 0.895 5.491 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.431 0.686 4.761 1.00 10.00 O ATOM 161 OD2 ASP A 26 -15.325 1.431 6.612 1.00 10.00 O ATOM 0 H ASP A 26 -15.621 1.221 2.836 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.391 1.256 3.761 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -17.476 0.407 5.830 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.734 -0.485 4.517 1.00 10.00 H new ATOM 166 N GLY A 27 -16.289 3.681 4.235 1.00 10.00 N ATOM 167 CA GLY A 27 -16.168 5.026 4.769 1.00 10.00 C ATOM 168 C GLY A 27 -14.825 5.278 5.432 1.00 10.00 C ATOM 169 O GLY A 27 -14.391 6.429 5.543 1.00 10.00 O ATOM 0 H GLY A 27 -15.548 3.405 3.591 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -16.311 5.746 3.963 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.964 5.197 5.494 1.00 10.00 H new ATOM 173 N SER A 28 -14.173 4.208 5.888 1.00 10.00 N ATOM 174 CA SER A 28 -12.866 4.320 6.535 1.00 10.00 C ATOM 175 C SER A 28 -11.845 4.939 5.574 1.00 10.00 C ATOM 176 O SER A 28 -11.981 4.828 4.350 1.00 10.00 O ATOM 177 CB SER A 28 -12.393 2.941 7.015 1.00 10.00 C ATOM 178 OG SER A 28 -12.398 1.988 5.963 1.00 10.00 O ATOM 0 H SER A 28 -14.529 3.254 5.821 1.00 10.00 H new ATOM 0 HA SER A 28 -12.959 4.974 7.402 1.00 10.00 H new ATOM 0 HB2 SER A 28 -11.387 3.024 7.426 1.00 10.00 H new ATOM 0 HB3 SER A 28 -13.039 2.595 7.822 1.00 10.00 H new ATOM 0 HG SER A 28 -13.308 1.649 5.833 1.00 10.00 H new ATOM 184 N VAL A 29 -10.843 5.614 6.122 1.00 10.00 N ATOM 185 CA VAL A 29 -9.822 6.250 5.303 1.00 10.00 C ATOM 186 C VAL A 29 -8.432 5.732 5.663 1.00 10.00 C ATOM 187 O VAL A 29 -8.141 5.447 6.829 1.00 10.00 O ATOM 188 CB VAL A 29 -9.865 7.791 5.448 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.593 8.213 6.884 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.881 8.458 4.495 1.00 10.00 C ATOM 0 H VAL A 29 -10.716 5.735 7.127 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.033 5.995 4.264 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.869 8.121 5.183 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.629 9.300 6.957 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.348 7.780 7.540 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.606 7.862 7.186 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -8.932 9.540 4.618 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.870 8.115 4.717 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -9.136 8.197 3.468 1.00 10.00 H new ATOM 200 N VAL A 30 -7.589 5.577 4.653 1.00 10.00 N ATOM 201 CA VAL A 30 -6.228 5.102 4.860 1.00 10.00 C ATOM 202 C VAL A 30 -5.225 6.109 4.312 1.00 10.00 C ATOM 203 O VAL A 30 -5.222 6.401 3.117 1.00 10.00 O ATOM 204 CB VAL A 30 -5.976 3.736 4.187 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.690 3.115 4.705 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.149 2.797 4.410 1.00 10.00 C ATOM 0 H VAL A 30 -7.824 5.773 3.680 1.00 10.00 H new ATOM 0 HA VAL A 30 -6.099 4.985 5.936 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.873 3.901 3.114 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.529 2.153 4.219 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.852 3.777 4.485 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.765 2.969 5.783 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.947 1.841 3.926 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.291 2.640 5.479 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -8.052 3.235 3.985 1.00 10.00 H new ATOM 216 N GLN A 31 -4.383 6.629 5.188 1.00 10.00 N ATOM 217 CA GLN A 31 -3.368 7.597 4.804 1.00 10.00 C ATOM 218 C GLN A 31 -2.082 6.876 4.413 1.00 10.00 C ATOM 219 O GLN A 31 -1.424 6.248 5.250 1.00 10.00 O ATOM 220 CB GLN A 31 -3.104 8.574 5.951 1.00 10.00 C ATOM 221 CG GLN A 31 -2.140 9.697 5.593 1.00 10.00 C ATOM 222 CD GLN A 31 -1.969 10.698 6.722 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.900 10.960 7.483 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.777 11.258 6.847 1.00 10.00 N ATOM 0 H GLN A 31 -4.382 6.394 6.181 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.728 8.163 3.945 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -4.051 9.009 6.270 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.704 8.022 6.801 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.169 9.271 5.339 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.503 10.214 4.705 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.029 11.016 6.197 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.606 11.932 7.593 1.00 10.00 H new ATOM 233 N PHE A 32 -1.737 6.969 3.140 1.00 10.00 N ATOM 234 CA PHE A 32 -0.547 6.324 2.607 1.00 10.00 C ATOM 235 C PHE A 32 0.631 7.287 2.565 1.00 10.00 C ATOM 236 O PHE A 32 0.624 8.254 1.804 1.00 10.00 O ATOM 237 CB PHE A 32 -0.822 5.801 1.196 1.00 10.00 C ATOM 238 CG PHE A 32 -0.991 4.313 1.122 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.208 3.726 1.414 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.068 3.501 0.752 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.369 2.358 1.338 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.085 2.131 0.675 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.307 1.558 0.969 1.00 10.00 C ATOM 0 H PHE A 32 -2.272 7.492 2.447 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.294 5.494 3.267 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.723 6.279 0.811 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.001 6.097 0.543 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -3.043 4.346 1.705 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.025 3.945 0.521 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.326 1.913 1.567 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.749 1.509 0.386 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.431 0.487 0.910 1.00 10.00 H new ATOM 253 N LYS A 33 1.634 7.018 3.385 1.00 10.00 N ATOM 254 CA LYS A 33 2.831 7.840 3.431 1.00 10.00 C ATOM 255 C LYS A 33 3.907 7.183 2.583 1.00 10.00 C ATOM 256 O LYS A 33 4.514 6.191 2.989 1.00 10.00 O ATOM 257 CB LYS A 33 3.317 8.016 4.872 1.00 10.00 C ATOM 258 CG LYS A 33 4.676 8.685 4.983 1.00 10.00 C ATOM 259 CD LYS A 33 5.189 8.681 6.411 1.00 10.00 C ATOM 260 CE LYS A 33 6.677 8.979 6.458 1.00 10.00 C ATOM 261 NZ LYS A 33 7.265 8.687 7.790 1.00 10.00 N ATOM 0 H LYS A 33 1.642 6.230 4.033 1.00 10.00 H new ATOM 0 HA LYS A 33 2.605 8.831 3.037 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.585 8.607 5.423 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.363 7.038 5.352 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.389 8.170 4.339 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.606 9.712 4.624 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.648 9.423 6.997 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.995 7.711 6.868 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.189 8.387 5.699 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.844 10.027 6.211 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.282 8.905 7.776 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.796 9.270 8.512 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.130 7.681 8.016 1.00 10.00 H new ATOM 275 N ILE A 34 4.113 7.707 1.387 1.00 10.00 N ATOM 276 CA ILE A 34 5.100 7.147 0.475 1.00 10.00 C ATOM 277 C ILE A 34 5.904 8.262 -0.187 1.00 10.00 C ATOM 278 O ILE A 34 5.493 9.422 -0.177 1.00 10.00 O ATOM 279 CB ILE A 34 4.432 6.244 -0.610 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.310 6.973 -1.951 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.054 5.776 -0.154 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.583 6.184 -3.016 1.00 10.00 C ATOM 0 H ILE A 34 3.612 8.518 1.024 1.00 10.00 H new ATOM 0 HA ILE A 34 5.774 6.521 1.060 1.00 10.00 H new ATOM 0 HB ILE A 34 5.077 5.376 -0.747 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.789 7.917 -1.793 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.309 7.217 -2.312 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.609 5.149 -0.926 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.151 5.203 0.768 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.416 6.642 0.023 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.538 6.768 -3.935 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.115 5.251 -3.204 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.571 5.963 -2.677 1.00 10.00 H new ATOM 294 N LYS A 35 7.061 7.922 -0.737 1.00 10.00 N ATOM 295 CA LYS A 35 7.886 8.909 -1.417 1.00 10.00 C ATOM 296 C LYS A 35 7.332 9.147 -2.821 1.00 10.00 C ATOM 297 O LYS A 35 6.722 8.257 -3.408 1.00 10.00 O ATOM 298 CB LYS A 35 9.343 8.450 -1.473 1.00 10.00 C ATOM 299 CG LYS A 35 9.938 8.162 -0.105 1.00 10.00 C ATOM 300 CD LYS A 35 11.453 8.097 -0.162 1.00 10.00 C ATOM 301 CE LYS A 35 12.048 7.705 1.180 1.00 10.00 C ATOM 302 NZ LYS A 35 11.800 6.277 1.507 1.00 10.00 N ATOM 0 H LYS A 35 7.447 6.978 -0.726 1.00 10.00 H new ATOM 0 HA LYS A 35 7.859 9.846 -0.861 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.410 7.552 -2.086 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.939 9.218 -1.966 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.632 8.938 0.597 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.546 7.218 0.272 1.00 10.00 H new ATOM 0 HD2 LYS A 35 11.758 7.376 -0.920 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.848 9.066 -0.466 1.00 10.00 H new ATOM 0 HE2 LYS A 35 13.122 7.892 1.168 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.623 8.334 1.962 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.551 5.929 2.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 10.880 6.184 1.982 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 11.795 5.716 0.631 1.00 10.00 H new ATOM 316 N ARG A 36 7.569 10.329 -3.364 1.00 10.00 N ATOM 317 CA ARG A 36 7.049 10.697 -4.681 1.00 10.00 C ATOM 318 C ARG A 36 7.635 9.850 -5.817 1.00 10.00 C ATOM 319 O ARG A 36 7.116 9.862 -6.933 1.00 10.00 O ATOM 320 CB ARG A 36 7.311 12.179 -4.942 1.00 10.00 C ATOM 321 CG ARG A 36 6.186 12.872 -5.688 1.00 10.00 C ATOM 322 CD ARG A 36 6.368 14.380 -5.694 1.00 10.00 C ATOM 323 NE ARG A 36 5.174 15.069 -6.171 1.00 10.00 N ATOM 324 CZ ARG A 36 4.397 15.838 -5.410 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.679 16.023 -4.122 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.329 16.413 -5.943 1.00 10.00 N ATOM 0 H ARG A 36 8.122 11.059 -2.914 1.00 10.00 H new ATOM 0 HA ARG A 36 5.977 10.501 -4.667 1.00 10.00 H new ATOM 0 HB2 ARG A 36 7.470 12.685 -3.990 1.00 10.00 H new ATOM 0 HB3 ARG A 36 8.233 12.281 -5.515 1.00 10.00 H new ATOM 0 HG2 ARG A 36 6.148 12.505 -6.714 1.00 10.00 H new ATOM 0 HG3 ARG A 36 5.232 12.621 -5.224 1.00 10.00 H new ATOM 0 HD2 ARG A 36 6.606 14.721 -4.687 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.216 14.641 -6.328 1.00 10.00 H new ATOM 0 HE ARG A 36 4.917 14.954 -7.151 1.00 10.00 H new ATOM 0 HH11 ARG A 36 5.497 15.574 -3.709 1.00 10.00 H new ATOM 0 HH12 ARG A 36 4.078 16.614 -3.548 1.00 10.00 H new ATOM 0 HH21 ARG A 36 3.108 16.265 -6.928 1.00 10.00 H new ATOM 0 HH22 ARG A 36 2.728 17.004 -5.369 1.00 10.00 H new ATOM 340 N HIS A 37 8.709 9.123 -5.544 1.00 10.00 N ATOM 341 CA HIS A 37 9.327 8.280 -6.565 1.00 10.00 C ATOM 342 C HIS A 37 9.010 6.805 -6.335 1.00 10.00 C ATOM 343 O HIS A 37 9.581 5.927 -6.983 1.00 10.00 O ATOM 344 CB HIS A 37 10.848 8.493 -6.609 1.00 10.00 C ATOM 345 CG HIS A 37 11.533 8.354 -5.279 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.852 7.121 -4.753 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.949 9.320 -4.426 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.450 7.366 -3.599 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.530 8.679 -3.362 1.00 10.00 N ATOM 0 H HIS A 37 9.169 9.097 -4.634 1.00 10.00 H new ATOM 0 HA HIS A 37 8.906 8.574 -7.527 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.283 7.776 -7.305 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.052 9.487 -7.007 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.844 10.387 -4.558 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.826 6.603 -2.933 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.946 9.122 -2.542 1.00 10.00 H new ATOM 357 N THR A 38 8.086 6.537 -5.426 1.00 10.00 N ATOM 358 CA THR A 38 7.701 5.169 -5.113 1.00 10.00 C ATOM 359 C THR A 38 6.663 4.647 -6.106 1.00 10.00 C ATOM 360 O THR A 38 5.633 5.283 -6.321 1.00 10.00 O ATOM 361 CB THR A 38 7.131 5.078 -3.687 1.00 10.00 C ATOM 362 OG1 THR A 38 7.890 5.914 -2.808 1.00 10.00 O ATOM 363 CG2 THR A 38 7.155 3.649 -3.176 1.00 10.00 C ATOM 0 H THR A 38 7.588 7.249 -4.891 1.00 10.00 H new ATOM 0 HA THR A 38 8.597 4.553 -5.184 1.00 10.00 H new ATOM 0 HB THR A 38 6.095 5.415 -3.714 1.00 10.00 H new ATOM 0 HG1 THR A 38 7.645 6.851 -2.955 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.746 3.617 -2.166 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.554 3.018 -3.831 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.182 3.284 -3.163 1.00 10.00 H new ATOM 371 N PRO A 39 6.936 3.491 -6.738 1.00 10.00 N ATOM 372 CA PRO A 39 6.021 2.872 -7.709 1.00 10.00 C ATOM 373 C PRO A 39 4.611 2.696 -7.149 1.00 10.00 C ATOM 374 O PRO A 39 4.435 2.247 -6.012 1.00 10.00 O ATOM 375 CB PRO A 39 6.659 1.508 -7.974 1.00 10.00 C ATOM 376 CG PRO A 39 8.104 1.691 -7.668 1.00 10.00 C ATOM 377 CD PRO A 39 8.171 2.703 -6.562 1.00 10.00 C ATOM 0 HA PRO A 39 5.899 3.485 -8.602 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.217 0.737 -7.343 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.511 1.198 -9.008 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.560 0.749 -7.362 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.647 2.038 -8.547 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.206 2.225 -5.583 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.060 3.328 -6.644 1.00 10.00 H new ATOM 385 N LEU A 40 3.608 3.027 -7.958 1.00 10.00 N ATOM 386 CA LEU A 40 2.214 2.924 -7.534 1.00 10.00 C ATOM 387 C LEU A 40 1.799 1.472 -7.318 1.00 10.00 C ATOM 388 O LEU A 40 0.825 1.195 -6.616 1.00 10.00 O ATOM 389 CB LEU A 40 1.290 3.590 -8.554 1.00 10.00 C ATOM 390 CG LEU A 40 1.428 5.112 -8.662 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.433 5.663 -9.668 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.229 5.770 -7.302 1.00 10.00 C ATOM 0 H LEU A 40 3.734 3.369 -8.911 1.00 10.00 H new ATOM 0 HA LEU A 40 2.123 3.445 -6.581 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.482 3.153 -9.534 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.258 3.352 -8.296 1.00 10.00 H new ATOM 0 HG LEU A 40 2.436 5.341 -9.008 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.543 6.745 -9.733 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.621 5.219 -10.646 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.580 5.420 -9.348 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.331 6.851 -7.402 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.234 5.533 -6.925 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.979 5.398 -6.604 1.00 10.00 H new ATOM 404 N SER A 41 2.547 0.548 -7.910 1.00 10.00 N ATOM 405 CA SER A 41 2.255 -0.873 -7.769 1.00 10.00 C ATOM 406 C SER A 41 2.385 -1.310 -6.308 1.00 10.00 C ATOM 407 O SER A 41 1.781 -2.297 -5.884 1.00 10.00 O ATOM 408 CB SER A 41 3.197 -1.689 -8.656 1.00 10.00 C ATOM 409 OG SER A 41 4.395 -0.974 -8.914 1.00 10.00 O ATOM 0 H SER A 41 3.359 0.757 -8.491 1.00 10.00 H new ATOM 0 HA SER A 41 1.227 -1.051 -8.086 1.00 10.00 H new ATOM 0 HB2 SER A 41 3.431 -2.636 -8.170 1.00 10.00 H new ATOM 0 HB3 SER A 41 2.701 -1.928 -9.597 1.00 10.00 H new ATOM 0 HG SER A 41 4.983 -1.515 -9.481 1.00 10.00 H new ATOM 415 N LYS A 42 3.170 -0.561 -5.540 1.00 10.00 N ATOM 416 CA LYS A 42 3.372 -0.866 -4.134 1.00 10.00 C ATOM 417 C LYS A 42 2.075 -0.686 -3.355 1.00 10.00 C ATOM 418 O LYS A 42 1.718 -1.527 -2.539 1.00 10.00 O ATOM 419 CB LYS A 42 4.460 0.027 -3.535 1.00 10.00 C ATOM 420 CG LYS A 42 5.868 -0.331 -3.971 1.00 10.00 C ATOM 421 CD LYS A 42 6.898 0.193 -2.982 1.00 10.00 C ATOM 422 CE LYS A 42 7.448 -0.919 -2.102 1.00 10.00 C ATOM 423 NZ LYS A 42 8.207 -1.927 -2.892 1.00 10.00 N ATOM 0 H LYS A 42 3.675 0.261 -5.871 1.00 10.00 H new ATOM 0 HA LYS A 42 3.690 -1.906 -4.060 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.258 1.062 -3.812 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.403 -0.029 -2.448 1.00 10.00 H new ATOM 0 HG2 LYS A 42 5.961 -1.414 -4.058 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.063 0.086 -4.959 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.716 0.666 -3.525 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.444 0.962 -2.356 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.098 -0.491 -1.339 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.626 -1.410 -1.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 8.772 -2.518 -2.249 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.541 -2.528 -3.419 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.838 -1.441 -3.560 1.00 10.00 H new ATOM 437 N LEU A 43 1.367 0.406 -3.629 1.00 10.00 N ATOM 438 CA LEU A 43 0.108 0.699 -2.944 1.00 10.00 C ATOM 439 C LEU A 43 -0.933 -0.359 -3.277 1.00 10.00 C ATOM 440 O LEU A 43 -1.730 -0.756 -2.424 1.00 10.00 O ATOM 441 CB LEU A 43 -0.418 2.082 -3.339 1.00 10.00 C ATOM 442 CG LEU A 43 0.479 3.263 -2.960 1.00 10.00 C ATOM 443 CD1 LEU A 43 1.500 3.531 -4.052 1.00 10.00 C ATOM 444 CD2 LEU A 43 -0.357 4.506 -2.701 1.00 10.00 C ATOM 0 H LEU A 43 1.642 1.104 -4.320 1.00 10.00 H new ATOM 0 HA LEU A 43 0.298 0.691 -1.871 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.573 2.098 -4.418 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.394 2.226 -2.875 1.00 10.00 H new ATOM 0 HG LEU A 43 1.012 3.007 -2.044 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.128 4.374 -3.764 1.00 10.00 H new ATOM 0 HD12 LEU A 43 2.122 2.647 -4.194 1.00 10.00 H new ATOM 0 HD13 LEU A 43 0.984 3.765 -4.983 1.00 10.00 H new ATOM 0 HD21 LEU A 43 0.298 5.335 -2.433 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -0.917 4.762 -3.601 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.052 4.313 -1.884 1.00 10.00 H new ATOM 456 N MET A 44 -0.898 -0.817 -4.521 1.00 10.00 N ATOM 457 CA MET A 44 -1.823 -1.833 -5.001 1.00 10.00 C ATOM 458 C MET A 44 -1.647 -3.141 -4.231 1.00 10.00 C ATOM 459 O MET A 44 -2.600 -3.892 -4.038 1.00 10.00 O ATOM 460 CB MET A 44 -1.597 -2.070 -6.497 1.00 10.00 C ATOM 461 CG MET A 44 -2.797 -2.664 -7.218 1.00 10.00 C ATOM 462 SD MET A 44 -2.555 -2.773 -9.006 1.00 10.00 S ATOM 463 CE MET A 44 -2.184 -1.064 -9.407 1.00 10.00 C ATOM 0 H MET A 44 -0.231 -0.496 -5.223 1.00 10.00 H new ATOM 0 HA MET A 44 -2.841 -1.479 -4.839 1.00 10.00 H new ATOM 0 HB2 MET A 44 -1.335 -1.123 -6.969 1.00 10.00 H new ATOM 0 HB3 MET A 44 -0.744 -2.736 -6.624 1.00 10.00 H new ATOM 0 HG2 MET A 44 -2.997 -3.659 -6.822 1.00 10.00 H new ATOM 0 HG3 MET A 44 -3.677 -2.055 -7.011 1.00 10.00 H new ATOM 0 HE1 MET A 44 -2.442 -0.870 -10.448 1.00 10.00 H new ATOM 0 HE2 MET A 44 -2.763 -0.405 -8.761 1.00 10.00 H new ATOM 0 HE3 MET A 44 -1.121 -0.877 -9.256 1.00 10.00 H new ATOM 473 N LYS A 45 -0.424 -3.400 -3.781 1.00 10.00 N ATOM 474 CA LYS A 45 -0.125 -4.620 -3.046 1.00 10.00 C ATOM 475 C LYS A 45 -0.160 -4.400 -1.533 1.00 10.00 C ATOM 476 O LYS A 45 -0.592 -5.274 -0.787 1.00 10.00 O ATOM 477 CB LYS A 45 1.243 -5.164 -3.460 1.00 10.00 C ATOM 478 CG LYS A 45 1.301 -5.628 -4.910 1.00 10.00 C ATOM 479 CD LYS A 45 2.622 -6.314 -5.236 1.00 10.00 C ATOM 480 CE LYS A 45 3.758 -5.314 -5.395 1.00 10.00 C ATOM 481 NZ LYS A 45 5.054 -5.985 -5.674 1.00 10.00 N ATOM 0 H LYS A 45 0.375 -2.780 -3.913 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.898 -5.347 -3.294 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.995 -4.390 -3.304 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.505 -5.998 -2.809 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.478 -6.315 -5.104 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.164 -4.772 -5.571 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.869 -7.021 -4.444 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.515 -6.890 -6.155 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.524 -4.625 -6.207 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.846 -4.718 -4.487 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.801 -5.269 -5.775 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.291 -6.623 -4.888 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 4.979 -6.533 -6.554 1.00 10.00 H new ATOM 495 N ALA A 46 0.291 -3.232 -1.087 1.00 10.00 N ATOM 496 CA ALA A 46 0.335 -2.905 0.339 1.00 10.00 C ATOM 497 C ALA A 46 -1.030 -3.028 1.010 1.00 10.00 C ATOM 498 O ALA A 46 -1.189 -3.775 1.975 1.00 10.00 O ATOM 499 CB ALA A 46 0.896 -1.505 0.538 1.00 10.00 C ATOM 0 H ALA A 46 0.634 -2.489 -1.696 1.00 10.00 H new ATOM 0 HA ALA A 46 0.991 -3.633 0.816 1.00 10.00 H new ATOM 0 HB1 ALA A 46 0.924 -1.272 1.602 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.905 -1.456 0.129 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.261 -0.782 0.025 1.00 10.00 H new ATOM 505 N TYR A 47 -2.019 -2.307 0.494 1.00 10.00 N ATOM 506 CA TYR A 47 -3.359 -2.348 1.070 1.00 10.00 C ATOM 507 C TYR A 47 -4.003 -3.711 0.830 1.00 10.00 C ATOM 508 O TYR A 47 -4.820 -4.174 1.625 1.00 10.00 O ATOM 509 CB TYR A 47 -4.230 -1.233 0.480 1.00 10.00 C ATOM 510 CG TYR A 47 -5.552 -1.046 1.199 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.762 -1.180 0.524 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.590 -0.739 2.553 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.969 -1.007 1.181 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.791 -0.568 3.215 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.977 -0.703 2.526 1.00 10.00 C ATOM 516 OH TYR A 47 -9.175 -0.526 3.185 1.00 10.00 O ATOM 0 H TYR A 47 -1.921 -1.693 -0.314 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.277 -2.190 2.145 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.674 -0.296 0.510 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -4.425 -1.454 -0.569 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.760 -1.423 -0.528 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.664 -0.632 3.099 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.899 -1.110 0.642 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.800 -0.329 4.268 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.003 -0.318 4.127 1.00 10.00 H new ATOM 526 N CYS A 48 -3.606 -4.353 -0.260 1.00 10.00 N ATOM 527 CA CYS A 48 -4.131 -5.664 -0.618 1.00 10.00 C ATOM 528 C CYS A 48 -3.728 -6.711 0.413 1.00 10.00 C ATOM 529 O CYS A 48 -4.566 -7.471 0.910 1.00 10.00 O ATOM 530 CB CYS A 48 -3.620 -6.071 -1.996 1.00 10.00 C ATOM 531 SG CYS A 48 -4.255 -7.655 -2.573 1.00 10.00 S ATOM 0 H CYS A 48 -2.917 -3.984 -0.916 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.219 -5.603 -0.639 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.891 -5.298 -2.716 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.531 -6.115 -1.970 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.234 -8.513 -1.596 1.00 10.00 H new ATOM 537 N GLU A 49 -2.440 -6.738 0.737 1.00 10.00 N ATOM 538 CA GLU A 49 -1.907 -7.681 1.707 1.00 10.00 C ATOM 539 C GLU A 49 -2.497 -7.430 3.086 1.00 10.00 C ATOM 540 O GLU A 49 -2.657 -8.356 3.881 1.00 10.00 O ATOM 541 CB GLU A 49 -0.384 -7.573 1.763 1.00 10.00 C ATOM 542 CG GLU A 49 0.307 -8.152 0.541 1.00 10.00 C ATOM 543 CD GLU A 49 0.232 -9.663 0.496 1.00 10.00 C ATOM 544 OE1 GLU A 49 1.267 -10.316 0.735 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.855 -10.208 0.221 1.00 10.00 O ATOM 0 H GLU A 49 -1.742 -6.111 0.337 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.183 -8.688 1.392 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.105 -6.524 1.866 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.023 -8.088 2.653 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.150 -7.742 -0.360 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.352 -7.843 0.538 1.00 10.00 H new ATOM 552 N ARG A 50 -2.827 -6.174 3.358 1.00 10.00 N ATOM 553 CA ARG A 50 -3.409 -5.799 4.637 1.00 10.00 C ATOM 554 C ARG A 50 -4.814 -6.368 4.778 1.00 10.00 C ATOM 555 O ARG A 50 -5.203 -6.815 5.857 1.00 10.00 O ATOM 556 CB ARG A 50 -3.434 -4.280 4.792 1.00 10.00 C ATOM 557 CG ARG A 50 -2.119 -3.701 5.283 1.00 10.00 C ATOM 558 CD ARG A 50 -2.339 -2.710 6.412 1.00 10.00 C ATOM 559 NE ARG A 50 -1.082 -2.311 7.042 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.947 -1.249 7.834 1.00 10.00 C ATOM 561 NH1 ARG A 50 -1.994 -0.473 8.103 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.235 -0.969 8.369 1.00 10.00 N ATOM 0 H ARG A 50 -2.701 -5.398 2.708 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.787 -6.218 5.428 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.685 -3.829 3.832 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.226 -4.007 5.490 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.470 -4.507 5.625 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.606 -3.207 4.458 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.847 -1.827 6.025 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.995 -3.153 7.161 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.256 -2.882 6.864 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.906 -0.690 7.702 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -1.884 0.339 8.710 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.038 -1.567 8.173 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.340 -0.156 8.976 1.00 10.00 H new ATOM 576 N GLN A 51 -5.569 -6.359 3.682 1.00 10.00 N ATOM 577 CA GLN A 51 -6.929 -6.886 3.690 1.00 10.00 C ATOM 578 C GLN A 51 -6.903 -8.412 3.689 1.00 10.00 C ATOM 579 O GLN A 51 -7.809 -9.066 4.209 1.00 10.00 O ATOM 580 CB GLN A 51 -7.724 -6.372 2.486 1.00 10.00 C ATOM 581 CG GLN A 51 -7.918 -4.861 2.461 1.00 10.00 C ATOM 582 CD GLN A 51 -8.122 -4.261 3.842 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.169 -3.816 4.481 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.359 -4.248 4.312 1.00 10.00 N ATOM 0 H GLN A 51 -5.262 -5.994 2.780 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.422 -6.539 4.598 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.214 -6.676 1.572 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.702 -6.852 2.480 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -7.049 -4.397 1.995 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.779 -4.622 1.837 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.122 -4.627 3.751 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -9.550 -3.859 5.236 1.00 10.00 H new ATOM 593 N GLY A 52 -5.861 -8.971 3.089 1.00 10.00 N ATOM 594 CA GLY A 52 -5.713 -10.411 3.042 1.00 10.00 C ATOM 595 C GLY A 52 -6.376 -11.037 1.831 1.00 10.00 C ATOM 596 O GLY A 52 -6.941 -12.124 1.925 1.00 10.00 O ATOM 0 H GLY A 52 -5.113 -8.450 2.632 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.652 -10.661 3.038 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.139 -10.844 3.947 1.00 10.00 H new ATOM 600 N LEU A 53 -6.303 -10.367 0.689 1.00 10.00 N ATOM 601 CA LEU A 53 -6.907 -10.887 -0.534 1.00 10.00 C ATOM 602 C LEU A 53 -5.918 -10.824 -1.694 1.00 10.00 C ATOM 603 O LEU A 53 -4.755 -10.466 -1.505 1.00 10.00 O ATOM 604 CB LEU A 53 -8.192 -10.122 -0.873 1.00 10.00 C ATOM 605 CG LEU A 53 -8.232 -8.657 -0.430 1.00 10.00 C ATOM 606 CD1 LEU A 53 -7.551 -7.765 -1.454 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.667 -8.210 -0.204 1.00 10.00 C ATOM 0 H LEU A 53 -5.835 -9.467 0.582 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.168 -11.932 -0.367 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -8.341 -10.160 -1.952 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -9.034 -10.643 -0.417 1.00 10.00 H new ATOM 0 HG LEU A 53 -7.689 -8.570 0.511 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -7.592 -6.729 -1.118 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -6.510 -8.069 -1.567 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -8.062 -7.856 -2.413 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -9.678 -7.166 0.110 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.231 -8.316 -1.131 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -10.123 -8.827 0.570 1.00 10.00 H new ATOM 619 N SER A 54 -6.382 -11.193 -2.882 1.00 10.00 N ATOM 620 CA SER A 54 -5.548 -11.179 -4.077 1.00 10.00 C ATOM 621 C SER A 54 -5.550 -9.796 -4.715 1.00 10.00 C ATOM 622 O SER A 54 -6.591 -9.138 -4.791 1.00 10.00 O ATOM 623 CB SER A 54 -6.043 -12.224 -5.082 1.00 10.00 C ATOM 624 OG SER A 54 -5.333 -12.142 -6.306 1.00 10.00 O ATOM 0 H SER A 54 -7.339 -11.508 -3.043 1.00 10.00 H new ATOM 0 HA SER A 54 -4.527 -11.425 -3.787 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.927 -13.222 -4.659 1.00 10.00 H new ATOM 0 HB3 SER A 54 -7.107 -12.078 -5.267 1.00 10.00 H new ATOM 0 HG SER A 54 -5.670 -12.822 -6.926 1.00 10.00 H new ATOM 630 N MET A 55 -4.383 -9.371 -5.187 1.00 10.00 N ATOM 631 CA MET A 55 -4.233 -8.060 -5.811 1.00 10.00 C ATOM 632 C MET A 55 -4.987 -8.000 -7.132 1.00 10.00 C ATOM 633 O MET A 55 -5.373 -6.931 -7.599 1.00 10.00 O ATOM 634 CB MET A 55 -2.752 -7.759 -6.048 1.00 10.00 C ATOM 635 CG MET A 55 -2.471 -6.316 -6.437 1.00 10.00 C ATOM 636 SD MET A 55 -1.048 -6.158 -7.537 1.00 10.00 S ATOM 637 CE MET A 55 -1.766 -6.704 -9.087 1.00 10.00 C ATOM 0 H MET A 55 -3.523 -9.918 -5.149 1.00 10.00 H new ATOM 0 HA MET A 55 -4.651 -7.312 -5.138 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.194 -7.996 -5.142 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.379 -8.416 -6.834 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.351 -5.897 -6.925 1.00 10.00 H new ATOM 0 HG3 MET A 55 -2.296 -5.728 -5.536 1.00 10.00 H new ATOM 0 HE1 MET A 55 -1.028 -7.277 -9.648 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.635 -7.331 -8.885 1.00 10.00 H new ATOM 0 HE3 MET A 55 -2.073 -5.837 -9.671 1.00 10.00 H new ATOM 647 N ARG A 56 -5.206 -9.162 -7.722 1.00 10.00 N ATOM 648 CA ARG A 56 -5.906 -9.247 -8.990 1.00 10.00 C ATOM 649 C ARG A 56 -7.417 -9.311 -8.777 1.00 10.00 C ATOM 650 O ARG A 56 -8.193 -9.173 -9.722 1.00 10.00 O ATOM 651 CB ARG A 56 -5.421 -10.474 -9.760 1.00 10.00 C ATOM 652 CG ARG A 56 -5.757 -10.444 -11.240 1.00 10.00 C ATOM 653 CD ARG A 56 -5.236 -11.683 -11.941 1.00 10.00 C ATOM 654 NE ARG A 56 -5.765 -11.819 -13.294 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.695 -12.942 -14.004 1.00 10.00 C ATOM 656 NH1 ARG A 56 -5.128 -14.023 -13.483 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.194 -12.981 -15.231 1.00 10.00 N ATOM 0 H ARG A 56 -4.908 -10.061 -7.342 1.00 10.00 H new ATOM 0 HA ARG A 56 -5.690 -8.350 -9.571 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.341 -10.560 -9.644 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -5.861 -11.367 -9.316 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -6.837 -10.375 -11.370 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -5.324 -9.554 -11.697 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.147 -11.644 -11.981 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -5.502 -12.566 -11.359 1.00 10.00 H new ATOM 0 HE ARG A 56 -6.214 -11.008 -13.719 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.746 -13.993 -12.538 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -5.075 -14.884 -14.028 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -6.631 -12.151 -15.630 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.141 -13.841 -15.776 1.00 10.00 H new ATOM 671 N GLN A 57 -7.827 -9.493 -7.526 1.00 10.00 N ATOM 672 CA GLN A 57 -9.243 -9.580 -7.190 1.00 10.00 C ATOM 673 C GLN A 57 -9.816 -8.190 -6.909 1.00 10.00 C ATOM 674 O GLN A 57 -11.009 -8.034 -6.651 1.00 10.00 O ATOM 675 CB GLN A 57 -9.444 -10.485 -5.974 1.00 10.00 C ATOM 676 CG GLN A 57 -10.855 -11.041 -5.847 1.00 10.00 C ATOM 677 CD GLN A 57 -11.061 -11.831 -4.568 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.126 -12.421 -4.029 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.290 -11.847 -4.071 1.00 10.00 N ATOM 0 H GLN A 57 -7.198 -9.583 -6.728 1.00 10.00 H new ATOM 0 HA GLN A 57 -9.772 -10.008 -8.041 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -8.740 -11.315 -6.031 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.202 -9.924 -5.071 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.569 -10.218 -5.880 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.067 -11.682 -6.703 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.039 -11.345 -4.547 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.486 -12.361 -3.212 1.00 10.00 H new ATOM 688 N ILE A 58 -8.959 -7.183 -6.963 1.00 10.00 N ATOM 689 CA ILE A 58 -9.376 -5.810 -6.722 1.00 10.00 C ATOM 690 C ILE A 58 -8.892 -4.900 -7.844 1.00 10.00 C ATOM 691 O ILE A 58 -8.112 -5.319 -8.697 1.00 10.00 O ATOM 692 CB ILE A 58 -8.847 -5.279 -5.372 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.373 -5.648 -5.187 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.687 -5.818 -4.222 1.00 10.00 C ATOM 695 CD1 ILE A 58 -6.741 -5.026 -3.959 1.00 10.00 C ATOM 0 H ILE A 58 -7.967 -7.291 -7.172 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.466 -5.807 -6.690 1.00 10.00 H new ATOM 0 HB ILE A 58 -8.927 -4.192 -5.374 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.284 -6.732 -5.121 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -6.815 -5.336 -6.070 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.301 -5.434 -3.278 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -10.722 -5.499 -4.347 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.641 -6.907 -4.217 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -5.697 -5.332 -3.893 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -6.797 -3.940 -4.031 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.273 -5.358 -3.068 1.00 10.00 H new ATOM 707 N ARG A 59 -9.375 -3.666 -7.851 1.00 10.00 N ATOM 708 CA ARG A 59 -8.985 -2.691 -8.861 1.00 10.00 C ATOM 709 C ARG A 59 -8.810 -1.319 -8.229 1.00 10.00 C ATOM 710 O ARG A 59 -9.567 -0.938 -7.333 1.00 10.00 O ATOM 711 CB ARG A 59 -10.030 -2.611 -9.981 1.00 10.00 C ATOM 712 CG ARG A 59 -10.014 -3.796 -10.936 1.00 10.00 C ATOM 713 CD ARG A 59 -8.640 -4.003 -11.557 1.00 10.00 C ATOM 714 NE ARG A 59 -8.648 -5.047 -12.581 1.00 10.00 N ATOM 715 CZ ARG A 59 -8.552 -6.351 -12.316 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.426 -6.771 -11.060 1.00 10.00 N ATOM 717 NH2 ARG A 59 -8.566 -7.233 -13.309 1.00 10.00 N ATOM 0 H ARG A 59 -10.042 -3.314 -7.164 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.037 -3.015 -9.291 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.021 -2.533 -9.533 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.865 -1.697 -10.551 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.311 -4.698 -10.401 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -10.749 -3.637 -11.725 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.298 -3.067 -11.998 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -7.927 -4.267 -10.777 1.00 10.00 H new ATOM 0 HE ARG A 59 -8.732 -4.761 -13.556 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.403 -6.095 -10.296 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.353 -7.769 -10.861 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -8.650 -6.913 -14.274 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -8.493 -8.230 -13.107 1.00 10.00 H new ATOM 731 N PHE A 60 -7.810 -0.591 -8.698 1.00 10.00 N ATOM 732 CA PHE A 60 -7.522 0.742 -8.192 1.00 10.00 C ATOM 733 C PHE A 60 -7.813 1.779 -9.269 1.00 10.00 C ATOM 734 O PHE A 60 -7.435 1.602 -10.428 1.00 10.00 O ATOM 735 CB PHE A 60 -6.060 0.843 -7.756 1.00 10.00 C ATOM 736 CG PHE A 60 -5.788 0.284 -6.387 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.770 -1.083 -6.171 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.539 1.130 -5.317 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.510 -1.598 -4.915 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.279 0.621 -4.057 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.266 -0.745 -3.855 1.00 10.00 C ATOM 0 H PHE A 60 -7.178 -0.904 -9.435 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.159 0.932 -7.328 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.439 0.318 -8.481 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.757 1.890 -7.776 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.961 -1.756 -6.994 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.548 2.199 -5.469 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.497 -2.667 -4.762 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.086 1.291 -3.232 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.066 -1.146 -2.872 1.00 10.00 H new ATOM 751 N ARG A 61 -8.485 2.855 -8.891 1.00 10.00 N ATOM 752 CA ARG A 61 -8.829 3.907 -9.837 1.00 10.00 C ATOM 753 C ARG A 61 -8.407 5.278 -9.322 1.00 10.00 C ATOM 754 O ARG A 61 -8.449 5.548 -8.119 1.00 10.00 O ATOM 755 CB ARG A 61 -10.334 3.908 -10.113 1.00 10.00 C ATOM 756 CG ARG A 61 -10.763 2.963 -11.226 1.00 10.00 C ATOM 757 CD ARG A 61 -12.267 3.033 -11.440 1.00 10.00 C ATOM 758 NE ARG A 61 -12.707 2.302 -12.623 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.859 2.541 -13.249 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.673 3.493 -12.809 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.197 1.831 -14.316 1.00 10.00 N ATOM 0 H ARG A 61 -8.803 3.024 -7.937 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.290 3.703 -10.762 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.860 3.637 -9.198 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.644 4.921 -10.371 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.247 3.223 -12.150 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.473 1.943 -10.975 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.773 2.631 -10.562 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.568 4.077 -11.531 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.101 1.569 -12.991 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.417 4.044 -11.990 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.554 3.673 -13.290 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.575 1.100 -14.660 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.079 2.016 -14.793 1.00 10.00 H new ATOM 775 N PHE A 62 -7.986 6.129 -10.246 1.00 10.00 N ATOM 776 CA PHE A 62 -7.578 7.488 -9.929 1.00 10.00 C ATOM 777 C PHE A 62 -8.064 8.420 -11.029 1.00 10.00 C ATOM 778 O PHE A 62 -7.737 8.220 -12.199 1.00 10.00 O ATOM 779 CB PHE A 62 -6.056 7.594 -9.787 1.00 10.00 C ATOM 780 CG PHE A 62 -5.584 8.994 -9.509 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.872 9.603 -8.297 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.862 9.700 -10.457 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.448 10.890 -8.037 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.434 10.989 -10.201 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.729 11.584 -8.990 1.00 10.00 C ATOM 0 H PHE A 62 -7.918 5.896 -11.237 1.00 10.00 H new ATOM 0 HA PHE A 62 -8.020 7.773 -8.974 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.726 6.939 -8.980 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.586 7.234 -10.702 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.434 9.064 -7.549 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.631 9.239 -11.406 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.678 11.354 -7.089 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.870 11.530 -10.946 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.397 12.592 -8.788 1.00 10.00 H new ATOM 795 N ASP A 63 -8.875 9.405 -10.653 1.00 10.00 N ATOM 796 CA ASP A 63 -9.427 10.373 -11.604 1.00 10.00 C ATOM 797 C ASP A 63 -10.301 9.651 -12.629 1.00 10.00 C ATOM 798 O ASP A 63 -10.377 10.033 -13.798 1.00 10.00 O ATOM 799 CB ASP A 63 -8.303 11.160 -12.300 1.00 10.00 C ATOM 800 CG ASP A 63 -8.820 12.349 -13.085 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.582 13.156 -12.518 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.465 12.486 -14.275 1.00 10.00 O ATOM 0 H ASP A 63 -9.168 9.557 -9.688 1.00 10.00 H new ATOM 0 HA ASP A 63 -10.043 11.088 -11.059 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.590 11.506 -11.551 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.761 10.494 -12.972 1.00 10.00 H new ATOM 807 N GLY A 64 -10.948 8.584 -12.178 1.00 10.00 N ATOM 808 CA GLY A 64 -11.814 7.806 -13.047 1.00 10.00 C ATOM 809 C GLY A 64 -11.045 6.878 -13.969 1.00 10.00 C ATOM 810 O GLY A 64 -11.640 6.112 -14.727 1.00 10.00 O ATOM 0 H GLY A 64 -10.889 8.241 -11.219 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.499 7.218 -12.437 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.422 8.483 -13.646 1.00 10.00 H new ATOM 814 N GLN A 65 -9.724 6.941 -13.908 1.00 10.00 N ATOM 815 CA GLN A 65 -8.882 6.103 -14.750 1.00 10.00 C ATOM 816 C GLN A 65 -8.226 5.008 -13.921 1.00 10.00 C ATOM 817 O GLN A 65 -7.741 5.272 -12.819 1.00 10.00 O ATOM 818 CB GLN A 65 -7.801 6.942 -15.440 1.00 10.00 C ATOM 819 CG GLN A 65 -8.320 8.224 -16.073 1.00 10.00 C ATOM 820 CD GLN A 65 -9.307 7.977 -17.197 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.241 6.964 -17.896 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.221 8.912 -17.389 1.00 10.00 N ATOM 0 H GLN A 65 -9.211 7.564 -13.284 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.514 5.646 -15.512 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.032 7.195 -14.710 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.323 6.337 -16.210 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.798 8.833 -15.306 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.478 8.799 -16.457 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.242 9.736 -16.788 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.906 8.810 -18.138 1.00 10.00 H new ATOM 831 N PRO A 66 -8.212 3.762 -14.424 1.00 10.00 N ATOM 832 CA PRO A 66 -7.593 2.635 -13.719 1.00 10.00 C ATOM 833 C PRO A 66 -6.091 2.841 -13.530 1.00 10.00 C ATOM 834 O PRO A 66 -5.417 3.393 -14.405 1.00 10.00 O ATOM 835 CB PRO A 66 -7.851 1.436 -14.641 1.00 10.00 C ATOM 836 CG PRO A 66 -8.950 1.864 -15.551 1.00 10.00 C ATOM 837 CD PRO A 66 -8.807 3.348 -15.708 1.00 10.00 C ATOM 0 HA PRO A 66 -8.004 2.507 -12.717 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.955 1.174 -15.204 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.137 0.554 -14.068 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.875 1.361 -16.515 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.924 1.609 -15.133 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.166 3.605 -16.551 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.769 3.830 -15.881 1.00 10.00 H new ATOM 845 N ILE A 67 -5.575 2.414 -12.387 1.00 10.00 N ATOM 846 CA ILE A 67 -4.155 2.558 -12.092 1.00 10.00 C ATOM 847 C ILE A 67 -3.375 1.338 -12.573 1.00 10.00 C ATOM 848 O ILE A 67 -3.768 0.197 -12.318 1.00 10.00 O ATOM 849 CB ILE A 67 -3.906 2.766 -10.582 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.727 3.955 -10.070 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.419 2.979 -10.305 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.471 4.290 -8.617 1.00 10.00 C ATOM 0 H ILE A 67 -6.117 1.965 -11.648 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.805 3.442 -12.625 1.00 10.00 H new ATOM 0 HB ILE A 67 -4.224 1.869 -10.051 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.503 4.830 -10.680 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.787 3.737 -10.202 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.265 3.124 -9.236 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.858 2.105 -10.637 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.071 3.860 -10.844 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.087 5.141 -8.326 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.723 3.431 -7.996 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.419 4.540 -8.481 1.00 10.00 H new ATOM 864 N ASN A 68 -2.284 1.591 -13.278 1.00 10.00 N ATOM 865 CA ASN A 68 -1.435 0.529 -13.798 1.00 10.00 C ATOM 866 C ASN A 68 -0.265 0.279 -12.853 1.00 10.00 C ATOM 867 O ASN A 68 0.051 1.114 -12.004 1.00 10.00 O ATOM 868 CB ASN A 68 -0.920 0.891 -15.197 1.00 10.00 C ATOM 869 CG ASN A 68 -1.965 0.666 -16.276 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.696 -0.324 -16.256 1.00 10.00 O ATOM 871 ND2 ASN A 68 -2.056 1.593 -17.219 1.00 10.00 N ATOM 0 H ASN A 68 -1.963 2.532 -13.505 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.027 -0.383 -13.872 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.610 1.936 -15.208 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -0.036 0.294 -15.421 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.749 1.499 -17.961 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.433 2.400 -17.203 1.00 10.00 H new ATOM 878 N GLU A 69 0.385 -0.864 -13.010 1.00 10.00 N ATOM 879 CA GLU A 69 1.511 -1.233 -12.156 1.00 10.00 C ATOM 880 C GLU A 69 2.834 -0.696 -12.696 1.00 10.00 C ATOM 881 O GLU A 69 3.906 -1.075 -12.224 1.00 10.00 O ATOM 882 CB GLU A 69 1.587 -2.751 -12.017 1.00 10.00 C ATOM 883 CG GLU A 69 0.397 -3.355 -11.298 1.00 10.00 C ATOM 884 CD GLU A 69 0.322 -4.855 -11.465 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.277 -5.549 -11.063 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.693 -5.347 -11.998 1.00 10.00 O ATOM 0 H GLU A 69 0.153 -1.556 -13.722 1.00 10.00 H new ATOM 0 HA GLU A 69 1.343 -0.783 -11.178 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.665 -3.195 -13.009 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.498 -3.013 -11.478 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.456 -3.113 -10.237 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.520 -2.904 -11.677 1.00 10.00 H new ATOM 893 N THR A 70 2.761 0.189 -13.673 1.00 10.00 N ATOM 894 CA THR A 70 3.960 0.763 -14.263 1.00 10.00 C ATOM 895 C THR A 70 3.928 2.290 -14.217 1.00 10.00 C ATOM 896 O THR A 70 4.472 2.962 -15.094 1.00 10.00 O ATOM 897 CB THR A 70 4.127 0.291 -15.718 1.00 10.00 C ATOM 898 OG1 THR A 70 2.844 -0.032 -16.275 1.00 10.00 O ATOM 899 CG2 THR A 70 5.034 -0.925 -15.792 1.00 10.00 C ATOM 0 H THR A 70 1.887 0.527 -14.075 1.00 10.00 H new ATOM 0 HA THR A 70 4.811 0.419 -13.674 1.00 10.00 H new ATOM 0 HB THR A 70 4.582 1.099 -16.290 1.00 10.00 H new ATOM 0 HG1 THR A 70 2.955 -0.330 -17.202 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.137 -1.240 -16.831 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.015 -0.672 -15.391 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.602 -1.737 -15.208 1.00 10.00 H new ATOM 907 N ASP A 71 3.301 2.836 -13.184 1.00 10.00 N ATOM 908 CA ASP A 71 3.204 4.285 -13.043 1.00 10.00 C ATOM 909 C ASP A 71 3.736 4.746 -11.692 1.00 10.00 C ATOM 910 O ASP A 71 3.940 3.942 -10.778 1.00 10.00 O ATOM 911 CB ASP A 71 1.758 4.753 -13.226 1.00 10.00 C ATOM 912 CG ASP A 71 1.399 4.963 -14.683 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.070 5.774 -15.353 1.00 10.00 O ATOM 914 OD2 ASP A 71 0.448 4.314 -15.166 1.00 10.00 O ATOM 0 H ASP A 71 2.855 2.304 -12.437 1.00 10.00 H new ATOM 0 HA ASP A 71 3.819 4.733 -13.823 1.00 10.00 H new ATOM 0 HB2 ASP A 71 1.083 4.016 -12.791 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.609 5.684 -12.680 1.00 10.00 H new ATOM 919 N THR A 72 3.959 6.043 -11.574 1.00 10.00 N ATOM 920 CA THR A 72 4.470 6.629 -10.349 1.00 10.00 C ATOM 921 C THR A 72 3.681 7.892 -9.997 1.00 10.00 C ATOM 922 O THR A 72 2.994 8.449 -10.854 1.00 10.00 O ATOM 923 CB THR A 72 5.971 6.965 -10.488 1.00 10.00 C ATOM 924 OG1 THR A 72 6.333 7.028 -11.876 1.00 10.00 O ATOM 925 CG2 THR A 72 6.826 5.921 -9.787 1.00 10.00 C ATOM 0 H THR A 72 3.792 6.717 -12.321 1.00 10.00 H new ATOM 0 HA THR A 72 4.351 5.901 -9.547 1.00 10.00 H new ATOM 0 HB THR A 72 6.148 7.933 -10.020 1.00 10.00 H new ATOM 0 HG1 THR A 72 7.286 7.243 -11.956 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.879 6.179 -9.898 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.570 5.892 -8.728 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.643 4.943 -10.231 1.00 10.00 H new ATOM 933 N PRO A 73 3.753 8.349 -8.732 1.00 10.00 N ATOM 934 CA PRO A 73 3.045 9.555 -8.271 1.00 10.00 C ATOM 935 C PRO A 73 3.296 10.766 -9.167 1.00 10.00 C ATOM 936 O PRO A 73 2.357 11.394 -9.664 1.00 10.00 O ATOM 937 CB PRO A 73 3.640 9.790 -6.881 1.00 10.00 C ATOM 938 CG PRO A 73 4.048 8.442 -6.414 1.00 10.00 C ATOM 939 CD PRO A 73 4.517 7.715 -7.639 1.00 10.00 C ATOM 0 HA PRO A 73 1.963 9.422 -8.280 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.492 10.469 -6.924 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.909 10.238 -6.208 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.842 8.509 -5.670 1.00 10.00 H new ATOM 0 HG3 PRO A 73 3.214 7.921 -5.944 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.592 7.826 -7.784 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.312 6.646 -7.574 1.00 10.00 H new ATOM 947 N ALA A 74 4.572 11.068 -9.390 1.00 10.00 N ATOM 948 CA ALA A 74 4.966 12.205 -10.216 1.00 10.00 C ATOM 949 C ALA A 74 4.676 11.953 -11.694 1.00 10.00 C ATOM 950 O ALA A 74 4.673 12.879 -12.499 1.00 10.00 O ATOM 951 CB ALA A 74 6.444 12.516 -10.010 1.00 10.00 C ATOM 0 H ALA A 74 5.355 10.538 -9.008 1.00 10.00 H new ATOM 0 HA ALA A 74 4.373 13.066 -9.906 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.727 13.366 -10.631 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.622 12.757 -8.962 1.00 10.00 H new ATOM 0 HB3 ALA A 74 7.041 11.648 -10.289 1.00 10.00 H new ATOM 957 N GLN A 75 4.423 10.699 -12.045 1.00 10.00 N ATOM 958 CA GLN A 75 4.135 10.337 -13.426 1.00 10.00 C ATOM 959 C GLN A 75 2.693 10.689 -13.774 1.00 10.00 C ATOM 960 O GLN A 75 2.394 11.101 -14.895 1.00 10.00 O ATOM 961 CB GLN A 75 4.381 8.844 -13.646 1.00 10.00 C ATOM 962 CG GLN A 75 4.670 8.476 -15.090 1.00 10.00 C ATOM 963 CD GLN A 75 5.980 9.057 -15.590 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.921 9.263 -14.820 1.00 10.00 O ATOM 965 NE2 GLN A 75 6.054 9.311 -16.884 1.00 10.00 N ATOM 0 H GLN A 75 4.411 9.915 -11.392 1.00 10.00 H new ATOM 0 HA GLN A 75 4.801 10.901 -14.079 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.220 8.528 -13.026 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.507 8.288 -13.307 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.698 7.391 -15.186 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.855 8.830 -15.721 1.00 10.00 H new ATOM 0 HE21 GLN A 75 5.252 9.126 -17.487 1.00 10.00 H new ATOM 0 HE22 GLN A 75 6.913 9.692 -17.281 1.00 10.00 H new ATOM 974 N LEU A 76 1.804 10.531 -12.802 1.00 10.00 N ATOM 975 CA LEU A 76 0.390 10.826 -13.004 1.00 10.00 C ATOM 976 C LEU A 76 0.055 12.246 -12.559 1.00 10.00 C ATOM 977 O LEU A 76 -1.109 12.650 -12.584 1.00 10.00 O ATOM 978 CB LEU A 76 -0.487 9.828 -12.243 1.00 10.00 C ATOM 979 CG LEU A 76 -0.441 8.382 -12.746 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.520 7.557 -12.070 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.603 8.332 -14.257 1.00 10.00 C ATOM 0 H LEU A 76 2.036 10.200 -11.865 1.00 10.00 H new ATOM 0 HA LEU A 76 0.186 10.738 -14.071 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.190 9.838 -11.194 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.520 10.175 -12.285 1.00 10.00 H new ATOM 0 HG LEU A 76 0.532 7.960 -12.494 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.477 6.531 -12.436 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.362 7.564 -10.992 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.498 7.982 -12.296 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.567 7.296 -14.593 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.561 8.771 -14.535 1.00 10.00 H new ATOM 0 HD23 LEU A 76 0.203 8.894 -14.728 1.00 10.00 H new ATOM 993 N GLU A 77 1.086 12.994 -12.158 1.00 10.00 N ATOM 994 CA GLU A 77 0.924 14.380 -11.704 1.00 10.00 C ATOM 995 C GLU A 77 0.018 14.456 -10.477 1.00 10.00 C ATOM 996 O GLU A 77 -0.775 15.388 -10.334 1.00 10.00 O ATOM 997 CB GLU A 77 0.352 15.251 -12.827 1.00 10.00 C ATOM 998 CG GLU A 77 1.233 15.320 -14.061 1.00 10.00 C ATOM 999 CD GLU A 77 2.516 16.084 -13.820 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.443 17.276 -13.457 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.604 15.501 -14.009 1.00 10.00 O ATOM 0 H GLU A 77 2.050 12.661 -12.138 1.00 10.00 H new ATOM 0 HA GLU A 77 1.910 14.755 -11.429 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.626 14.863 -13.112 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.196 16.261 -12.447 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.473 14.308 -14.388 1.00 10.00 H new ATOM 0 HG3 GLU A 77 0.679 15.794 -14.872 1.00 10.00 H new ATOM 1008 N MET A 78 0.156 13.485 -9.588 1.00 10.00 N ATOM 1009 CA MET A 78 -0.657 13.442 -8.381 1.00 10.00 C ATOM 1010 C MET A 78 -0.180 14.472 -7.367 1.00 10.00 C ATOM 1011 O MET A 78 0.951 14.961 -7.446 1.00 10.00 O ATOM 1012 CB MET A 78 -0.608 12.051 -7.753 1.00 10.00 C ATOM 1013 CG MET A 78 -1.186 10.952 -8.626 1.00 10.00 C ATOM 1014 SD MET A 78 -1.221 9.353 -7.792 1.00 10.00 S ATOM 1015 CE MET A 78 -2.379 9.693 -6.466 1.00 10.00 C ATOM 0 H MET A 78 0.822 12.717 -9.678 1.00 10.00 H new ATOM 0 HA MET A 78 -1.684 13.675 -8.663 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.428 11.807 -7.520 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.151 12.072 -6.808 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.198 11.224 -8.925 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.596 10.869 -9.539 1.00 10.00 H new ATOM 0 HE1 MET A 78 -3.067 8.854 -6.360 1.00 10.00 H new ATOM 0 HE2 MET A 78 -1.833 9.835 -5.533 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.942 10.597 -6.698 1.00 10.00 H new ATOM 1025 N GLU A 79 -1.038 14.790 -6.411 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.706 15.755 -5.378 1.00 10.00 C ATOM 1027 C GLU A 79 -0.915 15.151 -3.993 1.00 10.00 C ATOM 1028 O GLU A 79 -1.314 13.991 -3.862 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.547 17.024 -5.538 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.716 18.275 -5.784 1.00 10.00 C ATOM 1031 CD GLU A 79 0.420 18.413 -4.791 1.00 10.00 C ATOM 1032 OE1 GLU A 79 0.146 18.643 -3.595 1.00 10.00 O ATOM 1033 OE2 GLU A 79 1.591 18.282 -5.199 1.00 10.00 O ATOM 0 H GLU A 79 -1.973 14.391 -6.330 1.00 10.00 H new ATOM 0 HA GLU A 79 0.346 16.021 -5.484 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.240 16.889 -6.368 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.149 17.167 -4.640 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -0.311 18.246 -6.795 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -1.358 19.153 -5.723 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.639 15.942 -2.965 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.786 15.493 -1.586 1.00 10.00 C ATOM 1042 C ASP A 80 -2.260 15.424 -1.207 1.00 10.00 C ATOM 1043 O ASP A 80 -3.065 16.238 -1.666 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.030 16.433 -0.641 1.00 10.00 C ATOM 1045 CG ASP A 80 -0.004 15.938 0.794 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -0.505 16.661 1.682 1.00 10.00 O ATOM 1047 OD2 ASP A 80 0.532 14.835 1.038 1.00 10.00 O ATOM 0 H ASP A 80 -0.310 16.903 -3.060 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.360 14.494 -1.494 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.993 16.551 -0.997 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.494 17.419 -0.671 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.600 14.434 -0.386 1.00 10.00 N ATOM 1053 CA GLU A 81 -3.971 14.206 0.075 1.00 10.00 C ATOM 1054 C GLU A 81 -4.876 13.771 -1.071 1.00 10.00 C ATOM 1055 O GLU A 81 -6.094 13.952 -1.017 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.540 15.445 0.771 1.00 10.00 C ATOM 1057 CG GLU A 81 -3.929 15.697 2.138 1.00 10.00 C ATOM 1058 CD GLU A 81 -4.716 16.695 2.954 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -4.123 17.696 3.402 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.931 16.483 3.153 1.00 10.00 O ATOM 0 H GLU A 81 -1.928 13.761 -0.018 1.00 10.00 H new ATOM 0 HA GLU A 81 -3.936 13.397 0.804 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.373 16.317 0.139 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.619 15.330 0.878 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.869 14.755 2.683 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -2.909 16.060 2.014 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.281 13.192 -2.109 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.050 12.716 -3.250 1.00 10.00 C ATOM 1069 C ASP A 82 -5.779 11.435 -2.877 1.00 10.00 C ATOM 1070 O ASP A 82 -5.215 10.558 -2.219 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.151 12.487 -4.469 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.475 13.438 -5.609 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.630 13.910 -5.685 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.579 13.722 -6.431 1.00 10.00 O ATOM 0 H ASP A 82 -3.275 13.042 -2.182 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.780 13.480 -3.518 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.108 12.614 -4.178 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.263 11.459 -4.813 1.00 10.00 H new ATOM 1079 N THR A 83 -7.030 11.334 -3.287 1.00 10.00 N ATOM 1080 CA THR A 83 -7.844 10.174 -2.968 1.00 10.00 C ATOM 1081 C THR A 83 -7.741 9.093 -4.048 1.00 10.00 C ATOM 1082 O THR A 83 -7.653 9.393 -5.239 1.00 10.00 O ATOM 1083 CB THR A 83 -9.315 10.589 -2.790 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.377 11.899 -2.204 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.058 9.598 -1.906 1.00 10.00 C ATOM 0 H THR A 83 -7.506 12.044 -3.844 1.00 10.00 H new ATOM 0 HA THR A 83 -7.465 9.756 -2.035 1.00 10.00 H new ATOM 0 HB THR A 83 -9.792 10.599 -3.770 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.314 12.163 -2.092 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.095 9.915 -1.796 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.027 8.609 -2.363 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.585 9.560 -0.925 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.732 7.839 -3.613 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.655 6.705 -4.524 1.00 10.00 C ATOM 1095 C ILE A 84 -8.872 5.801 -4.338 1.00 10.00 C ATOM 1096 O ILE A 84 -9.232 5.464 -3.209 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.370 5.879 -4.297 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.136 6.786 -4.292 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.234 4.808 -5.371 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.876 6.087 -3.826 1.00 10.00 C ATOM 0 H ILE A 84 -7.777 7.581 -2.627 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.635 7.100 -5.540 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.442 5.393 -3.324 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.976 7.174 -5.298 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.327 7.643 -3.646 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.324 4.233 -5.199 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.096 4.142 -5.332 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.184 5.281 -6.352 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.042 6.788 -3.848 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.017 5.722 -2.809 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.661 5.247 -4.486 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.498 5.419 -5.442 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.678 4.560 -5.402 1.00 10.00 C ATOM 1114 C ASP A 85 -10.280 3.089 -5.463 1.00 10.00 C ATOM 1115 O ASP A 85 -9.459 2.697 -6.294 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.613 4.878 -6.573 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.501 6.078 -6.321 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.650 5.892 -5.866 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.064 7.215 -6.597 1.00 10.00 O ATOM 0 H ASP A 85 -9.209 5.691 -6.382 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.196 4.750 -4.462 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.016 5.058 -7.467 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.238 4.008 -6.776 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.859 2.282 -4.582 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.570 0.852 -4.543 1.00 10.00 C ATOM 1126 C VAL A 86 -11.858 0.050 -4.698 1.00 10.00 C ATOM 1127 O VAL A 86 -12.798 0.219 -3.919 1.00 10.00 O ATOM 1128 CB VAL A 86 -9.868 0.445 -3.228 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.525 -1.040 -3.226 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.617 1.280 -3.006 1.00 10.00 C ATOM 0 H VAL A 86 -11.533 2.594 -3.883 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.896 0.634 -5.371 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.560 0.634 -2.407 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.032 -1.298 -2.289 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.439 -1.625 -3.328 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.858 -1.261 -4.060 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.138 0.977 -2.075 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -7.926 1.128 -3.835 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -8.889 2.334 -2.948 1.00 10.00 H new ATOM 1140 N PHE A 87 -11.904 -0.810 -5.706 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.084 -1.630 -5.963 1.00 10.00 C ATOM 1142 C PHE A 87 -12.717 -3.105 -6.043 1.00 10.00 C ATOM 1143 O PHE A 87 -11.541 -3.454 -6.126 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.753 -1.204 -7.271 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.094 0.256 -7.320 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.163 0.754 -6.595 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.347 1.130 -8.089 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.479 2.099 -6.639 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.659 2.473 -8.135 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.727 2.958 -7.410 1.00 10.00 C ATOM 0 H PHE A 87 -11.137 -0.959 -6.362 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.777 -1.484 -5.135 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.091 -1.443 -8.103 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.663 -1.787 -7.411 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -15.756 0.085 -5.989 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.510 0.757 -8.660 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.315 2.476 -6.069 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.067 3.145 -8.739 1.00 10.00 H new ATOM 0 HZ PHE A 87 -14.973 4.009 -7.447 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.727 -3.964 -6.013 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.511 -5.403 -6.099 1.00 10.00 C ATOM 1162 C GLN A 88 -13.877 -5.897 -7.492 1.00 10.00 C ATOM 1163 O GLN A 88 -14.755 -5.329 -8.144 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.333 -6.140 -5.041 1.00 10.00 C ATOM 1165 CG GLN A 88 -13.890 -5.844 -3.619 1.00 10.00 C ATOM 1166 CD GLN A 88 -14.635 -6.665 -2.581 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -15.021 -7.809 -2.829 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -14.841 -6.081 -1.409 1.00 10.00 N ATOM 0 H GLN A 88 -14.706 -3.689 -5.930 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.457 -5.609 -5.912 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.382 -5.866 -5.151 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.263 -7.213 -5.220 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -12.821 -6.039 -3.529 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -14.039 -4.784 -3.411 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.504 -5.132 -1.246 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -15.336 -6.581 -0.670 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.198 -6.939 -7.946 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.439 -7.505 -9.268 1.00 10.00 C ATOM 1179 C GLN A 89 -14.747 -8.293 -9.292 1.00 10.00 C ATOM 1180 O GLN A 89 -15.141 -8.894 -8.293 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.263 -8.403 -9.671 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.284 -8.845 -11.127 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.332 -7.678 -12.096 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -11.852 -6.584 -11.803 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -12.916 -7.904 -13.260 1.00 10.00 N ATOM 0 H GLN A 89 -12.469 -7.415 -7.414 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.525 -6.690 -9.986 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.332 -7.871 -9.478 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.262 -9.288 -9.035 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.398 -9.445 -11.332 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.149 -9.486 -11.295 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -13.302 -8.825 -13.466 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -12.980 -7.157 -13.952 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.420 -8.270 -10.435 1.00 10.00 N ATOM 1195 CA GLN A 90 -16.681 -8.980 -10.605 1.00 10.00 C ATOM 1196 C GLN A 90 -16.455 -10.489 -10.614 1.00 10.00 C ATOM 1197 O GLN A 90 -15.371 -10.961 -10.964 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.360 -8.561 -11.910 1.00 10.00 C ATOM 1199 CG GLN A 90 -17.978 -7.169 -11.876 1.00 10.00 C ATOM 1200 CD GLN A 90 -16.946 -6.057 -11.873 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -15.827 -6.226 -12.358 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.324 -4.908 -11.339 1.00 10.00 N ATOM 0 H GLN A 90 -15.111 -7.763 -11.264 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.326 -8.722 -9.765 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -16.628 -8.601 -12.716 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.138 -9.286 -12.150 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -18.631 -7.047 -12.740 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.604 -7.078 -10.988 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.261 -4.811 -10.948 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.679 -4.118 -11.318 1.00 10.00 H new ATOM 1211 N THR A 91 -17.478 -11.237 -10.236 1.00 10.00 N ATOM 1212 CA THR A 91 -17.390 -12.684 -10.197 1.00 10.00 C ATOM 1213 C THR A 91 -18.018 -13.299 -11.443 1.00 10.00 C ATOM 1214 O THR A 91 -17.458 -14.216 -12.045 1.00 10.00 O ATOM 1215 CB THR A 91 -18.083 -13.236 -8.938 1.00 10.00 C ATOM 1216 OG1 THR A 91 -19.321 -12.544 -8.715 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.187 -13.078 -7.721 1.00 10.00 C ATOM 0 H THR A 91 -18.383 -10.862 -9.951 1.00 10.00 H new ATOM 0 HA THR A 91 -16.334 -12.954 -10.167 1.00 10.00 H new ATOM 0 HB THR A 91 -18.282 -14.296 -9.093 1.00 10.00 H new ATOM 0 HG1 THR A 91 -19.756 -12.902 -7.913 1.00 10.00 H new ATOM 0 HG21 THR A 91 -17.695 -13.474 -6.842 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.257 -13.624 -7.880 1.00 10.00 H new ATOM 0 HG23 THR A 91 -16.965 -12.022 -7.567 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.176 -12.776 -11.832 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.863 -13.285 -13.004 1.00 10.00 C ATOM 1227 C GLY A 92 -21.304 -13.647 -12.709 1.00 10.00 C ATOM 1228 O GLY A 92 -21.809 -13.363 -11.618 1.00 10.00 O ATOM 0 H GLY A 92 -19.651 -12.009 -11.356 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.833 -12.536 -13.795 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.338 -14.164 -13.378 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -13.605 6.163 15.480 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.664 6.064 14.025 1.00 10.00 C ATOM 1235 C ASP B 195 -12.589 5.122 13.522 1.00 10.00 C ATOM 1236 O ASP B 195 -11.933 4.446 14.315 1.00 10.00 O ATOM 1237 CB ASP B 195 -13.474 7.434 13.381 1.00 10.00 C ATOM 1238 CG ASP B 195 -14.787 8.079 13.014 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -15.128 9.119 13.614 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -15.488 7.548 12.126 1.00 10.00 O ATOM 0 HA ASP B 195 -14.646 5.678 13.752 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -12.931 8.084 14.067 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -12.859 7.331 12.487 1.00 10.00 H new ATOM 1245 N THR B 196 -12.387 5.082 12.217 1.00 10.00 N ATOM 1246 CA THR B 196 -11.375 4.215 11.668 1.00 10.00 C ATOM 1247 C THR B 196 -10.318 5.012 10.926 1.00 10.00 C ATOM 1248 O THR B 196 -10.618 5.749 9.986 1.00 10.00 O ATOM 1249 CB THR B 196 -12.000 3.201 10.701 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.413 3.112 10.935 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.365 1.831 10.872 1.00 10.00 C ATOM 0 H THR B 196 -12.904 5.633 11.532 1.00 10.00 H new ATOM 0 HA THR B 196 -10.909 3.689 12.501 1.00 10.00 H new ATOM 0 HB THR B 196 -11.821 3.542 9.681 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.807 2.465 10.314 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.824 1.128 10.176 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.296 1.897 10.669 1.00 10.00 H new ATOM 0 HG23 THR B 196 -11.519 1.483 11.894 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.084 4.862 11.367 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.960 5.523 10.745 1.00 10.00 C ATOM 1261 C ALA B 197 -6.897 4.496 10.400 1.00 10.00 C ATOM 1262 O ALA B 197 -6.470 3.733 11.266 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.395 6.594 11.667 1.00 10.00 C ATOM 0 H ALA B 197 -8.836 4.278 12.166 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.293 6.011 9.829 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.549 7.082 11.183 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.166 7.334 11.881 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.064 6.135 12.599 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.467 4.478 9.157 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.445 3.545 8.754 1.00 10.00 C ATOM 1271 C GLY B 198 -4.238 4.252 8.193 1.00 10.00 C ATOM 1272 O GLY B 198 -4.379 5.111 7.331 1.00 10.00 O ATOM 0 H GLY B 198 -6.806 5.093 8.417 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.147 2.939 9.610 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.849 2.863 8.005 1.00 10.00 H new ATOM 1276 N CYS B 199 -3.055 3.927 8.686 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.844 4.552 8.189 1.00 10.00 C ATOM 1278 C CYS B 199 -0.887 3.503 7.646 1.00 10.00 C ATOM 1279 O CYS B 199 -0.563 2.526 8.328 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.168 5.357 9.297 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.282 6.458 10.193 1.00 10.00 S ATOM 0 H CYS B 199 -2.909 3.239 9.425 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.114 5.229 7.379 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.710 4.667 10.005 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.362 5.948 8.862 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.617 7.094 11.112 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.478 3.685 6.400 1.00 10.00 N ATOM 1288 CA ILE B 200 0.452 2.777 5.750 1.00 10.00 C ATOM 1289 C ILE B 200 1.643 3.541 5.172 1.00 10.00 C ATOM 1290 O ILE B 200 1.457 4.529 4.465 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.236 1.970 4.623 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.510 1.296 5.145 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.719 0.931 4.049 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -2.087 0.263 4.203 1.00 10.00 C ATOM 0 H ILE B 200 -0.780 4.463 5.814 1.00 10.00 H new ATOM 0 HA ILE B 200 0.804 2.081 6.511 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.513 2.661 3.827 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.292 0.820 6.101 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.263 2.061 5.334 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.217 0.374 3.258 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.597 1.431 3.640 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.027 0.244 4.838 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.986 -0.169 4.643 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.339 0.736 3.254 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.353 -0.524 4.032 1.00 10.00 H new ATOM 1306 N VAL B 201 2.856 3.109 5.477 1.00 10.00 N ATOM 1307 CA VAL B 201 4.041 3.762 4.930 1.00 10.00 C ATOM 1308 C VAL B 201 4.878 2.755 4.139 1.00 10.00 C ATOM 1309 O VAL B 201 5.244 1.695 4.655 1.00 10.00 O ATOM 1310 CB VAL B 201 4.893 4.430 6.041 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.140 3.471 7.196 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.217 4.945 5.487 1.00 10.00 C ATOM 0 H VAL B 201 3.048 2.319 6.093 1.00 10.00 H new ATOM 0 HA VAL B 201 3.708 4.553 4.258 1.00 10.00 H new ATOM 0 HB VAL B 201 4.326 5.281 6.418 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.740 3.967 7.959 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.186 3.166 7.626 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.672 2.592 6.832 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.792 5.408 6.289 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.784 4.114 5.067 1.00 10.00 H new ATOM 0 HG23 VAL B 201 6.023 5.682 4.708 1.00 10.00 H new ATOM 1322 N ILE B 202 5.178 3.080 2.888 1.00 10.00 N ATOM 1323 CA ILE B 202 5.968 2.192 2.044 1.00 10.00 C ATOM 1324 C ILE B 202 7.213 2.896 1.524 1.00 10.00 C ATOM 1325 O ILE B 202 7.145 4.023 1.025 1.00 10.00 O ATOM 1326 CB ILE B 202 5.148 1.611 0.860 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.810 2.699 -0.164 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.878 0.944 1.373 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.723 2.314 -1.139 1.00 10.00 C ATOM 0 H ILE B 202 4.888 3.948 2.437 1.00 10.00 H new ATOM 0 HA ILE B 202 6.270 1.355 2.674 1.00 10.00 H new ATOM 0 HB ILE B 202 5.759 0.860 0.360 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.504 3.600 0.367 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.712 2.949 -0.723 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.313 0.541 0.532 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.142 0.135 2.054 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.269 1.678 1.901 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.544 3.139 -1.829 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.033 1.432 -1.700 1.00 10.00 H new ATOM 0 HD13 ILE B 202 2.806 2.093 -0.593 1.00 10.00 H new HETATM 1341 N SEP B 203 8.356 2.243 1.658 1.00 10.00 N HETATM 1342 CA SEP B 203 9.607 2.807 1.191 1.00 10.00 C HETATM 1343 CB SEP B 203 10.565 3.027 2.359 1.00 10.00 C HETATM 1344 OG SEP B 203 9.934 3.731 3.419 1.00 10.00 O HETATM 1345 C SEP B 203 10.247 1.904 0.146 1.00 10.00 C HETATM 1346 O SEP B 203 10.364 0.693 0.335 1.00 10.00 O HETATM 1347 P SEP B 203 10.760 4.830 4.235 1.00 10.00 P HETATM 1348 O1P SEP B 203 12.212 4.810 3.975 1.00 10.00 O HETATM 1349 O2P SEP B 203 10.418 4.896 5.663 1.00 10.00 O HETATM 1350 O3P SEP B 203 10.284 6.233 3.639 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.925 2.065 2.723 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.437 3.585 2.017 1.00 10.00 H new HETATM 0 HA SEP B 203 9.394 3.771 0.730 1.00 10.00 H new ATOM 1355 N ASP B 204 10.614 2.495 -0.977 1.00 10.00 N ATOM 1356 CA ASP B 204 11.260 1.767 -2.058 1.00 10.00 C ATOM 1357 C ASP B 204 12.612 2.389 -2.353 1.00 10.00 C ATOM 1358 O ASP B 204 12.717 3.602 -2.535 1.00 10.00 O ATOM 1359 CB ASP B 204 10.388 1.775 -3.314 1.00 10.00 C ATOM 1360 CG ASP B 204 10.693 0.621 -4.252 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.334 0.850 -5.300 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.276 -0.519 -3.949 1.00 10.00 O ATOM 0 H ASP B 204 10.474 3.487 -1.166 1.00 10.00 H new ATOM 0 HA ASP B 204 11.399 0.731 -1.749 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.339 1.732 -3.022 1.00 10.00 H new ATOM 0 HB3 ASP B 204 10.533 2.716 -3.845 1.00 10.00 H new HETATM 1367 N SEP B 205 13.636 1.568 -2.384 1.00 10.00 N HETATM 1368 CA SEP B 205 14.984 2.028 -2.640 1.00 10.00 C HETATM 1369 CB SEP B 205 15.874 1.722 -1.442 1.00 10.00 C HETATM 1370 OG SEP B 205 15.883 0.328 -1.151 1.00 10.00 O HETATM 1371 C SEP B 205 15.546 1.378 -3.896 1.00 10.00 C HETATM 1372 O SEP B 205 15.362 0.174 -4.124 1.00 10.00 O HETATM 1373 P SEP B 205 14.890 -0.280 -0.050 1.00 10.00 P HETATM 1374 O1P SEP B 205 15.406 -1.488 0.620 1.00 10.00 O HETATM 1375 O2P SEP B 205 14.341 0.715 0.883 1.00 10.00 O HETATM 1376 O3P SEP B 205 13.622 -0.800 -0.876 1.00 10.00 O HETATM 0 HB3 SEP B 205 16.890 2.061 -1.644 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.521 2.276 -0.572 1.00 10.00 H new HETATM 0 HA SEP B 205 14.959 3.106 -2.797 1.00 10.00 H new ATOM 1381 N GLU B 206 16.178 2.192 -4.737 1.00 10.00 N ATOM 1382 CA GLU B 206 16.780 1.716 -5.982 1.00 10.00 C ATOM 1383 C GLU B 206 17.779 0.586 -5.718 1.00 10.00 C ATOM 1384 O GLU B 206 18.193 0.348 -4.579 1.00 10.00 O ATOM 1385 CB GLU B 206 17.490 2.869 -6.692 1.00 10.00 C ATOM 1386 CG GLU B 206 18.166 2.451 -7.985 1.00 10.00 C ATOM 1387 CD GLU B 206 17.173 2.033 -9.047 1.00 10.00 C ATOM 1388 OE1 GLU B 206 16.783 0.850 -9.071 1.00 10.00 O ATOM 1389 OE2 GLU B 206 16.780 2.891 -9.865 1.00 10.00 O ATOM 0 H GLU B 206 16.288 3.194 -4.578 1.00 10.00 H new ATOM 0 HA GLU B 206 15.982 1.329 -6.615 1.00 10.00 H new ATOM 0 HB2 GLU B 206 16.767 3.656 -6.906 1.00 10.00 H new ATOM 0 HB3 GLU B 206 18.236 3.296 -6.021 1.00 10.00 H new ATOM 0 HG2 GLU B 206 18.769 3.278 -8.360 1.00 10.00 H new ATOM 0 HG3 GLU B 206 18.848 1.625 -7.784 1.00 10.00 H new TER 1396 GLU B 206