USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 584 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 Single : A 3 SER OG : rot 39:sc= 0.222 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0955) USER MOD Single : A 8 ASN : amide:sc= -3.88 K(o=-3.9,f=-13!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0469) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= -1.15 (180deg=-1.51) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -7.46! C(o=-7.5!,f=-8.8!) USER MOD Single : A 23 THR OG1 : rot 79:sc= 0.602 USER MOD Single : A 27 THR OG1 : rot 171:sc= -0.807 USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= 0.514 (180deg=0.000894) USER MOD Single : A 29 THR OG1 : rot -170:sc= -2.98! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.58! K(o=-2.6!,f=-0.3) USER MOD Single : A 34 SER OG : rot -73:sc= -0.304 USER MOD Single : A 36 SER OG : rot -54:sc= 0.819 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.935 USER MOD Single : A 40 SER OG : rot 180:sc=0.000785 USER MOD Single : A 41 GLN : amide:sc= -0.799! C(o=-0.8!,f=-7.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -2.3! (180deg=-2.86!) USER MOD Single : A 52 GLN : amide:sc= -4.64! C(o=-4.6!,f=-8.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= -3.63! (180deg=-6.48!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 38:sc= -5.29! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 71 MET CE :methyl 159:sc= -0.0971 (180deg=-0.751) USER MOD Single : A 73 SER OG : rot 94:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.780 -18.213 1.550 1.00 0.00 N ATOM 21 CA VAL A 2 -0.114 -17.677 0.366 1.00 0.00 C ATOM 22 C VAL A 2 0.983 -16.705 0.768 1.00 0.00 C ATOM 23 O VAL A 2 0.777 -15.811 1.587 1.00 0.00 O ATOM 24 CB VAL A 2 -1.144 -16.991 -0.557 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.497 -16.900 0.151 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.684 -15.576 -0.939 1.00 0.00 C ATOM 0 HA VAL A 2 0.346 -18.499 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.236 -17.590 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.219 -16.415 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.847 -17.902 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.390 -16.318 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.427 -15.115 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.568 -14.975 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.271 -15.633 -1.462 1.00 0.00 H new ATOM 36 N SER A 3 2.147 -16.895 0.167 1.00 0.00 N ATOM 37 CA SER A 3 3.299 -16.046 0.428 1.00 0.00 C ATOM 38 C SER A 3 3.541 -15.134 -0.764 1.00 0.00 C ATOM 39 O SER A 3 3.687 -15.603 -1.891 1.00 0.00 O ATOM 40 CB SER A 3 4.538 -16.907 0.678 1.00 0.00 C ATOM 41 OG SER A 3 4.632 -17.900 -0.336 1.00 0.00 O ATOM 0 H SER A 3 2.320 -17.637 -0.511 1.00 0.00 H new ATOM 0 HA SER A 3 3.103 -15.441 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.433 -16.285 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.476 -17.377 1.659 1.00 0.00 H new ATOM 0 HG SER A 3 4.376 -17.512 -1.199 1.00 0.00 H new ATOM 47 N LEU A 4 3.565 -13.829 -0.517 1.00 0.00 N ATOM 48 CA LEU A 4 3.771 -12.867 -1.594 1.00 0.00 C ATOM 49 C LEU A 4 5.050 -12.080 -1.392 1.00 0.00 C ATOM 50 O LEU A 4 5.721 -12.201 -0.368 1.00 0.00 O ATOM 51 CB LEU A 4 2.592 -11.901 -1.657 1.00 0.00 C ATOM 52 CG LEU A 4 1.316 -12.697 -1.914 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.103 -11.775 -1.777 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.358 -13.307 -3.323 1.00 0.00 C ATOM 0 H LEU A 4 3.446 -13.416 0.408 1.00 0.00 H new ATOM 0 HA LEU A 4 3.850 -13.422 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.509 -11.346 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.746 -11.169 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 4 1.238 -13.502 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.809 -12.343 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.074 -11.359 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.178 -10.965 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.445 -13.874 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.440 -12.510 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.219 -13.970 -3.407 1.00 0.00 H new ATOM 66 N THR A 5 5.372 -11.265 -2.385 1.00 0.00 N ATOM 67 CA THR A 5 6.573 -10.436 -2.333 1.00 0.00 C ATOM 68 C THR A 5 6.281 -9.035 -2.849 1.00 0.00 C ATOM 69 O THR A 5 5.945 -8.851 -4.019 1.00 0.00 O ATOM 70 CB THR A 5 7.690 -11.060 -3.176 1.00 0.00 C ATOM 71 OG1 THR A 5 8.315 -12.098 -2.435 1.00 0.00 O ATOM 72 CG2 THR A 5 8.729 -9.989 -3.536 1.00 0.00 C ATOM 0 H THR A 5 4.821 -11.158 -3.237 1.00 0.00 H new ATOM 0 HA THR A 5 6.894 -10.375 -1.293 1.00 0.00 H new ATOM 0 HB THR A 5 7.265 -11.470 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.029 -12.500 -2.973 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.521 -10.438 -4.135 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.249 -9.193 -4.106 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.156 -9.574 -2.623 1.00 0.00 H new ATOM 80 N PHE A 6 6.431 -8.046 -1.977 1.00 0.00 N ATOM 81 CA PHE A 6 6.201 -6.662 -2.363 1.00 0.00 C ATOM 82 C PHE A 6 7.533 -5.976 -2.636 1.00 0.00 C ATOM 83 O PHE A 6 8.356 -5.821 -1.733 1.00 0.00 O ATOM 84 CB PHE A 6 5.441 -5.935 -1.254 1.00 0.00 C ATOM 85 CG PHE A 6 4.070 -6.549 -1.124 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.903 -7.737 -0.404 1.00 0.00 C ATOM 87 CD2 PHE A 6 2.967 -5.939 -1.732 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.631 -8.314 -0.289 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.698 -6.516 -1.620 1.00 0.00 C ATOM 90 CZ PHE A 6 1.529 -7.703 -0.897 1.00 0.00 C ATOM 0 H PHE A 6 6.709 -8.176 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 6 5.601 -6.634 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.982 -6.015 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.359 -4.873 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.754 -8.209 0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.096 -5.022 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.502 -9.230 0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.848 -6.046 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.548 -8.147 -0.809 1.00 0.00 H new ATOM 100 N LYS A 7 7.752 -5.588 -3.893 1.00 0.00 N ATOM 101 CA LYS A 7 9.007 -4.942 -4.279 1.00 0.00 C ATOM 102 C LYS A 7 8.769 -3.518 -4.768 1.00 0.00 C ATOM 103 O LYS A 7 7.713 -3.203 -5.317 1.00 0.00 O ATOM 104 CB LYS A 7 9.693 -5.765 -5.378 1.00 0.00 C ATOM 105 CG LYS A 7 8.959 -5.574 -6.715 1.00 0.00 C ATOM 106 CD LYS A 7 9.646 -4.476 -7.539 1.00 0.00 C ATOM 107 CE LYS A 7 10.741 -5.095 -8.412 1.00 0.00 C ATOM 108 NZ LYS A 7 10.119 -5.758 -9.593 1.00 0.00 N ATOM 0 H LYS A 7 7.084 -5.708 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 7 9.651 -4.893 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.734 -5.457 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.698 -6.820 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.954 -6.510 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.918 -5.306 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.914 -3.966 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.077 -3.726 -6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.439 -4.324 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.315 -5.820 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.850 -5.953 -10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.677 -6.652 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.395 -5.133 -10.001 1.00 0.00 H new ATOM 122 N ASN A 8 9.770 -2.661 -4.564 1.00 0.00 N ATOM 123 CA ASN A 8 9.679 -1.264 -4.985 1.00 0.00 C ATOM 124 C ASN A 8 10.773 -0.929 -6.000 1.00 0.00 C ATOM 125 O ASN A 8 11.315 -1.815 -6.659 1.00 0.00 O ATOM 126 CB ASN A 8 9.801 -0.341 -3.772 1.00 0.00 C ATOM 127 CG ASN A 8 11.174 -0.495 -3.133 1.00 0.00 C ATOM 128 OD1 ASN A 8 11.992 0.421 -3.197 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.480 -1.603 -2.513 1.00 0.00 N ATOM 0 H ASN A 8 10.650 -2.909 -4.111 1.00 0.00 H new ATOM 0 HA ASN A 8 8.708 -1.113 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.647 0.694 -4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.024 -0.579 -3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.398 -1.709 -2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.801 -2.362 -2.460 1.00 0.00 H new ATOM 136 N PHE A 9 11.084 0.359 -6.127 1.00 0.00 N ATOM 137 CA PHE A 9 12.102 0.806 -7.076 1.00 0.00 C ATOM 138 C PHE A 9 13.512 0.675 -6.496 1.00 0.00 C ATOM 139 O PHE A 9 14.483 1.098 -7.124 1.00 0.00 O ATOM 140 CB PHE A 9 11.842 2.267 -7.464 1.00 0.00 C ATOM 141 CG PHE A 9 10.803 2.328 -8.563 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.555 1.717 -8.385 1.00 0.00 C ATOM 143 CD2 PHE A 9 11.089 2.997 -9.761 1.00 0.00 C ATOM 144 CE1 PHE A 9 8.595 1.774 -9.402 1.00 0.00 C ATOM 145 CE2 PHE A 9 10.127 3.053 -10.777 1.00 0.00 C ATOM 146 CZ PHE A 9 8.881 2.442 -10.598 1.00 0.00 C ATOM 0 H PHE A 9 10.649 1.108 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 9 12.039 0.168 -7.958 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.499 2.828 -6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.768 2.734 -7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.333 1.201 -7.462 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.050 3.469 -9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.633 1.302 -9.264 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.347 3.569 -11.700 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.140 2.486 -11.383 1.00 0.00 H new ATOM 156 N LYS A 10 13.628 0.088 -5.308 1.00 0.00 N ATOM 157 CA LYS A 10 14.939 -0.085 -4.683 1.00 0.00 C ATOM 158 C LYS A 10 15.445 -1.504 -4.915 1.00 0.00 C ATOM 159 O LYS A 10 16.404 -1.947 -4.286 1.00 0.00 O ATOM 160 CB LYS A 10 14.858 0.199 -3.181 1.00 0.00 C ATOM 161 CG LYS A 10 14.511 1.677 -2.949 1.00 0.00 C ATOM 162 CD LYS A 10 15.687 2.575 -3.376 1.00 0.00 C ATOM 163 CE LYS A 10 15.318 3.348 -4.647 1.00 0.00 C ATOM 164 NZ LYS A 10 16.556 3.887 -5.279 1.00 0.00 N ATOM 0 H LYS A 10 12.844 -0.272 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 10 15.635 0.622 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.102 -0.438 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.809 -0.040 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.618 1.941 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.281 1.843 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.934 3.272 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.574 1.967 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.796 2.693 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.636 4.163 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.305 4.411 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.036 4.525 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.191 3.101 -5.524 1.00 0.00 H new ATOM 178 N LYS A 11 14.792 -2.201 -5.835 1.00 0.00 N ATOM 179 CA LYS A 11 15.172 -3.568 -6.169 1.00 0.00 C ATOM 180 C LYS A 11 15.195 -4.454 -4.926 1.00 0.00 C ATOM 181 O LYS A 11 15.981 -5.397 -4.842 1.00 0.00 O ATOM 182 CB LYS A 11 16.556 -3.579 -6.831 1.00 0.00 C ATOM 183 CG LYS A 11 16.474 -2.969 -8.241 1.00 0.00 C ATOM 184 CD LYS A 11 16.761 -1.461 -8.180 1.00 0.00 C ATOM 185 CE LYS A 11 18.274 -1.219 -8.227 1.00 0.00 C ATOM 186 NZ LYS A 11 18.752 -1.339 -9.634 1.00 0.00 N ATOM 0 H LYS A 11 13.997 -1.843 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 11 14.429 -3.964 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.263 -3.014 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.931 -4.601 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.192 -3.458 -8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.484 -3.142 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.276 -0.955 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.344 -1.039 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.507 -0.229 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.789 -1.942 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.717 -1.728 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.119 -1.973 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.754 -0.400 -10.081 1.00 0.00 H new ATOM 200 N GLU A 12 14.320 -4.155 -3.966 1.00 0.00 N ATOM 201 CA GLU A 12 14.243 -4.944 -2.737 1.00 0.00 C ATOM 202 C GLU A 12 12.863 -5.576 -2.600 1.00 0.00 C ATOM 203 O GLU A 12 11.849 -4.931 -2.857 1.00 0.00 O ATOM 204 CB GLU A 12 14.516 -4.061 -1.517 1.00 0.00 C ATOM 205 CG GLU A 12 15.746 -3.182 -1.774 1.00 0.00 C ATOM 206 CD GLU A 12 16.463 -2.884 -0.460 1.00 0.00 C ATOM 207 OE1 GLU A 12 16.034 -1.977 0.233 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.431 -3.568 -0.169 1.00 0.00 O ATOM 0 H GLU A 12 13.660 -3.379 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 12 14.997 -5.729 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.648 -3.435 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.680 -4.682 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.425 -3.686 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.443 -2.250 -2.251 1.00 0.00 H new ATOM 215 N LYS A 13 12.834 -6.843 -2.200 1.00 0.00 N ATOM 216 CA LYS A 13 11.576 -7.560 -2.036 1.00 0.00 C ATOM 217 C LYS A 13 11.229 -7.706 -0.557 1.00 0.00 C ATOM 218 O LYS A 13 12.099 -7.967 0.273 1.00 0.00 O ATOM 219 CB LYS A 13 11.685 -8.950 -2.680 1.00 0.00 C ATOM 220 CG LYS A 13 13.143 -9.431 -2.637 1.00 0.00 C ATOM 221 CD LYS A 13 13.913 -8.886 -3.851 1.00 0.00 C ATOM 222 CE LYS A 13 13.885 -9.912 -4.988 1.00 0.00 C ATOM 223 NZ LYS A 13 12.473 -10.172 -5.389 1.00 0.00 N ATOM 0 H LYS A 13 13.666 -7.393 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 13 10.785 -6.991 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.044 -9.656 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.336 -8.911 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.618 -9.096 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.175 -10.521 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.468 -7.948 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.944 -8.668 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.454 -9.541 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.360 -10.839 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.458 -10.733 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.989 -10.697 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.985 -9.267 -5.549 1.00 0.00 H new ATOM 237 N VAL A 14 9.947 -7.537 -0.240 1.00 0.00 N ATOM 238 CA VAL A 14 9.477 -7.655 1.139 1.00 0.00 C ATOM 239 C VAL A 14 8.485 -8.813 1.262 1.00 0.00 C ATOM 240 O VAL A 14 7.274 -8.614 1.173 1.00 0.00 O ATOM 241 CB VAL A 14 8.797 -6.353 1.568 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.332 -6.474 3.021 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.789 -5.195 1.446 1.00 0.00 C ATOM 0 H VAL A 14 9.216 -7.318 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 14 10.333 -7.849 1.786 1.00 0.00 H new ATOM 0 HB VAL A 14 7.937 -6.165 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.848 -5.547 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.625 -7.299 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.192 -6.663 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.305 -4.267 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.649 -5.384 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.121 -5.107 0.411 1.00 0.00 H new ATOM 253 N PRO A 15 8.976 -10.012 1.453 1.00 0.00 N ATOM 254 CA PRO A 15 8.116 -11.226 1.578 1.00 0.00 C ATOM 255 C PRO A 15 7.029 -11.079 2.639 1.00 0.00 C ATOM 256 O PRO A 15 7.249 -10.486 3.696 1.00 0.00 O ATOM 257 CB PRO A 15 9.095 -12.340 1.959 1.00 0.00 C ATOM 258 CG PRO A 15 10.433 -11.870 1.492 1.00 0.00 C ATOM 259 CD PRO A 15 10.406 -10.344 1.567 1.00 0.00 C ATOM 0 HA PRO A 15 7.575 -11.422 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.093 -12.513 3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.822 -13.282 1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.227 -12.275 2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.628 -12.205 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.827 -9.982 2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.987 -9.894 0.762 1.00 0.00 H new ATOM 267 N LEU A 16 5.861 -11.640 2.345 1.00 0.00 N ATOM 268 CA LEU A 16 4.728 -11.594 3.266 1.00 0.00 C ATOM 269 C LEU A 16 3.864 -12.838 3.098 1.00 0.00 C ATOM 270 O LEU A 16 3.962 -13.541 2.096 1.00 0.00 O ATOM 271 CB LEU A 16 3.867 -10.355 2.993 1.00 0.00 C ATOM 272 CG LEU A 16 4.508 -9.116 3.622 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.733 -7.867 3.182 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.476 -9.224 5.155 1.00 0.00 C ATOM 0 H LEU A 16 5.672 -12.134 1.473 1.00 0.00 H new ATOM 0 HA LEU A 16 5.119 -11.550 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.756 -10.210 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.866 -10.502 3.400 1.00 0.00 H new ATOM 0 HG LEU A 16 5.545 -9.044 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.186 -6.982 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.765 -7.783 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.696 -7.948 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.935 -8.337 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.443 -9.302 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.028 -10.110 5.469 1.00 0.00 H new ATOM 286 N ASP A 17 3.006 -13.087 4.081 1.00 0.00 N ATOM 287 CA ASP A 17 2.103 -14.237 4.034 1.00 0.00 C ATOM 288 C ASP A 17 0.726 -13.834 4.545 1.00 0.00 C ATOM 289 O ASP A 17 0.600 -13.250 5.621 1.00 0.00 O ATOM 290 CB ASP A 17 2.640 -15.383 4.885 1.00 0.00 C ATOM 291 CG ASP A 17 4.069 -15.718 4.472 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.387 -15.535 3.308 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.824 -16.153 5.325 1.00 0.00 O ATOM 0 H ASP A 17 2.915 -12.512 4.918 1.00 0.00 H new ATOM 0 HA ASP A 17 2.030 -14.572 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.613 -15.107 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.004 -16.261 4.769 1.00 0.00 H new ATOM 298 N LEU A 18 -0.300 -14.143 3.761 1.00 0.00 N ATOM 299 CA LEU A 18 -1.672 -13.795 4.131 1.00 0.00 C ATOM 300 C LEU A 18 -2.652 -14.896 3.749 1.00 0.00 C ATOM 301 O LEU A 18 -2.256 -15.990 3.348 1.00 0.00 O ATOM 302 CB LEU A 18 -2.089 -12.509 3.421 1.00 0.00 C ATOM 303 CG LEU A 18 -1.294 -11.315 3.973 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.449 -10.701 2.855 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.264 -10.266 4.519 1.00 0.00 C ATOM 0 H LEU A 18 -0.212 -14.631 2.870 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.696 -13.662 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.917 -12.605 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.157 -12.339 3.559 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.638 -11.655 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.114 -9.854 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.243 -11.450 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.101 -10.361 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.701 -9.419 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.921 -9.926 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.862 -10.704 5.318 1.00 0.00 H new ATOM 317 N GLU A 19 -3.943 -14.583 3.874 1.00 0.00 N ATOM 318 CA GLU A 19 -5.000 -15.530 3.539 1.00 0.00 C ATOM 319 C GLU A 19 -5.923 -14.917 2.481 1.00 0.00 C ATOM 320 O GLU A 19 -6.001 -13.695 2.352 1.00 0.00 O ATOM 321 CB GLU A 19 -5.809 -15.885 4.800 1.00 0.00 C ATOM 322 CG GLU A 19 -5.137 -15.287 6.040 1.00 0.00 C ATOM 323 CD GLU A 19 -3.740 -15.874 6.211 1.00 0.00 C ATOM 324 OE1 GLU A 19 -3.572 -17.047 5.919 1.00 0.00 O ATOM 325 OE2 GLU A 19 -2.858 -15.143 6.631 1.00 0.00 O ATOM 0 H GLU A 19 -4.279 -13.679 4.206 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.552 -16.440 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.826 -15.504 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.882 -16.968 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.075 -14.203 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.738 -15.494 6.925 1.00 0.00 H new ATOM 332 N PRO A 20 -6.614 -15.733 1.732 1.00 0.00 N ATOM 333 CA PRO A 20 -7.545 -15.257 0.666 1.00 0.00 C ATOM 334 C PRO A 20 -8.524 -14.213 1.188 1.00 0.00 C ATOM 335 O PRO A 20 -8.998 -13.359 0.438 1.00 0.00 O ATOM 336 CB PRO A 20 -8.295 -16.521 0.215 1.00 0.00 C ATOM 337 CG PRO A 20 -7.895 -17.620 1.154 1.00 0.00 C ATOM 338 CD PRO A 20 -6.588 -17.195 1.815 1.00 0.00 C ATOM 0 HA PRO A 20 -7.005 -14.772 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.373 -16.362 0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.037 -16.778 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.669 -17.786 1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.766 -18.559 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.533 -17.536 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.724 -17.610 1.296 1.00 0.00 H new ATOM 346 N SER A 21 -8.832 -14.297 2.474 1.00 0.00 N ATOM 347 CA SER A 21 -9.770 -13.358 3.082 1.00 0.00 C ATOM 348 C SER A 21 -9.102 -12.013 3.335 1.00 0.00 C ATOM 349 O SER A 21 -9.762 -10.974 3.306 1.00 0.00 O ATOM 350 CB SER A 21 -10.303 -13.924 4.398 1.00 0.00 C ATOM 351 OG SER A 21 -9.351 -13.695 5.428 1.00 0.00 O ATOM 0 H SER A 21 -8.453 -14.996 3.112 1.00 0.00 H new ATOM 0 HA SER A 21 -10.600 -13.210 2.390 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.252 -13.452 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.496 -14.992 4.296 1.00 0.00 H new ATOM 0 HG SER A 21 -9.691 -14.055 6.274 1.00 0.00 H new ATOM 357 N ASN A 22 -7.795 -12.027 3.562 1.00 0.00 N ATOM 358 CA ASN A 22 -7.080 -10.789 3.790 1.00 0.00 C ATOM 359 C ASN A 22 -7.364 -9.846 2.636 1.00 0.00 C ATOM 360 O ASN A 22 -7.797 -10.280 1.568 1.00 0.00 O ATOM 361 CB ASN A 22 -5.572 -11.055 3.894 1.00 0.00 C ATOM 362 CG ASN A 22 -4.904 -10.874 2.532 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.638 -11.852 1.834 1.00 0.00 O ATOM 364 ND2 ASN A 22 -4.618 -9.672 2.112 1.00 0.00 N ATOM 0 H ASN A 22 -7.221 -12.869 3.592 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.412 -10.341 4.727 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.125 -10.374 4.619 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.399 -12.067 4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.173 -9.542 1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.839 -8.863 2.692 1.00 0.00 H new ATOM 371 N THR A 23 -7.127 -8.565 2.841 1.00 0.00 N ATOM 372 CA THR A 23 -7.375 -7.602 1.786 1.00 0.00 C ATOM 373 C THR A 23 -6.354 -6.481 1.810 1.00 0.00 C ATOM 374 O THR A 23 -5.784 -6.151 2.850 1.00 0.00 O ATOM 375 CB THR A 23 -8.796 -7.037 1.904 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.772 -5.632 1.693 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.352 -7.338 3.295 1.00 0.00 C ATOM 0 H THR A 23 -6.770 -8.172 3.712 1.00 0.00 H new ATOM 0 HA THR A 23 -7.279 -8.118 0.831 1.00 0.00 H new ATOM 0 HB THR A 23 -9.433 -7.502 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.710 -5.446 0.733 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.362 -6.936 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.377 -8.416 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.715 -6.876 4.049 1.00 0.00 H new ATOM 385 N ILE A 24 -6.133 -5.913 0.636 1.00 0.00 N ATOM 386 CA ILE A 24 -5.186 -4.834 0.463 1.00 0.00 C ATOM 387 C ILE A 24 -5.158 -3.926 1.676 1.00 0.00 C ATOM 388 O ILE A 24 -4.101 -3.468 2.094 1.00 0.00 O ATOM 389 CB ILE A 24 -5.592 -4.023 -0.765 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.892 -4.949 -1.955 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.479 -3.055 -1.127 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.889 -6.102 -2.008 1.00 0.00 C ATOM 0 H ILE A 24 -6.608 -6.191 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.190 -5.258 0.335 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.498 -3.464 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.904 -5.344 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.850 -4.381 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.770 -2.477 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.298 -2.380 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.569 -3.613 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.119 -6.746 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.881 -5.702 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.951 -6.681 -1.087 1.00 0.00 H new ATOM 404 N LEU A 25 -6.320 -3.667 2.237 1.00 0.00 N ATOM 405 CA LEU A 25 -6.394 -2.810 3.406 1.00 0.00 C ATOM 406 C LEU A 25 -5.424 -3.310 4.462 1.00 0.00 C ATOM 407 O LEU A 25 -4.637 -2.546 5.019 1.00 0.00 O ATOM 408 CB LEU A 25 -7.815 -2.815 3.974 1.00 0.00 C ATOM 409 CG LEU A 25 -7.990 -1.632 4.927 1.00 0.00 C ATOM 410 CD1 LEU A 25 -9.474 -1.461 5.259 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.195 -1.865 6.224 1.00 0.00 C ATOM 0 H LEU A 25 -7.215 -4.030 1.910 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.131 -1.792 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.542 -2.753 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.004 -3.750 4.501 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.614 -0.730 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.600 -0.618 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.033 -1.275 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.848 -2.368 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.330 -1.014 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.554 -2.770 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.137 -1.976 5.987 1.00 0.00 H new ATOM 423 N GLU A 26 -5.507 -4.602 4.736 1.00 0.00 N ATOM 424 CA GLU A 26 -4.654 -5.225 5.743 1.00 0.00 C ATOM 425 C GLU A 26 -3.251 -5.521 5.221 1.00 0.00 C ATOM 426 O GLU A 26 -2.281 -5.387 5.967 1.00 0.00 O ATOM 427 CB GLU A 26 -5.294 -6.523 6.242 1.00 0.00 C ATOM 428 CG GLU A 26 -6.716 -6.241 6.751 1.00 0.00 C ATOM 429 CD GLU A 26 -6.991 -7.039 8.023 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.396 -6.719 9.040 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.791 -7.959 7.962 1.00 0.00 O ATOM 0 H GLU A 26 -6.155 -5.242 4.277 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.558 -4.512 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.325 -7.257 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.690 -6.953 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.834 -5.176 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.443 -6.505 5.983 1.00 0.00 H new ATOM 438 N THR A 27 -3.116 -5.909 3.952 1.00 0.00 N ATOM 439 CA THR A 27 -1.789 -6.184 3.434 1.00 0.00 C ATOM 440 C THR A 27 -0.998 -4.887 3.457 1.00 0.00 C ATOM 441 O THR A 27 0.162 -4.855 3.869 1.00 0.00 O ATOM 442 CB THR A 27 -1.885 -6.786 2.023 1.00 0.00 C ATOM 443 OG1 THR A 27 -1.205 -8.033 2.000 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.259 -5.853 0.993 1.00 0.00 C ATOM 0 H THR A 27 -3.882 -6.035 3.290 1.00 0.00 H new ATOM 0 HA THR A 27 -1.273 -6.920 4.051 1.00 0.00 H new ATOM 0 HB THR A 27 -2.937 -6.925 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.385 -8.488 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.338 -6.300 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.782 -4.897 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.208 -5.695 1.236 1.00 0.00 H new ATOM 452 N LYS A 28 -1.659 -3.811 3.052 1.00 0.00 N ATOM 453 CA LYS A 28 -1.036 -2.498 3.070 1.00 0.00 C ATOM 454 C LYS A 28 -0.602 -2.163 4.491 1.00 0.00 C ATOM 455 O LYS A 28 0.516 -1.706 4.712 1.00 0.00 O ATOM 456 CB LYS A 28 -2.019 -1.442 2.581 1.00 0.00 C ATOM 457 CG LYS A 28 -2.080 -1.472 1.054 1.00 0.00 C ATOM 458 CD LYS A 28 -2.740 -0.189 0.564 1.00 0.00 C ATOM 459 CE LYS A 28 -2.732 -0.142 -0.969 1.00 0.00 C ATOM 460 NZ LYS A 28 -4.005 0.465 -1.451 1.00 0.00 N ATOM 0 H LYS A 28 -2.620 -3.822 2.710 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.168 -2.509 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.008 -1.629 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.709 -0.455 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.077 -1.563 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.645 -2.340 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.765 -0.135 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.212 0.676 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.881 0.441 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.619 -1.148 -1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.434 -0.153 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.662 0.575 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.809 1.397 -1.868 1.00 0.00 H new ATOM 474 N THR A 29 -1.496 -2.402 5.459 1.00 0.00 N ATOM 475 CA THR A 29 -1.186 -2.125 6.854 1.00 0.00 C ATOM 476 C THR A 29 0.101 -2.830 7.258 1.00 0.00 C ATOM 477 O THR A 29 1.090 -2.187 7.609 1.00 0.00 O ATOM 478 CB THR A 29 -2.339 -2.598 7.746 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.562 -2.475 7.037 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.396 -1.741 9.007 1.00 0.00 C ATOM 0 H THR A 29 -2.428 -2.783 5.298 1.00 0.00 H new ATOM 0 HA THR A 29 -1.052 -1.050 6.978 1.00 0.00 H new ATOM 0 HB THR A 29 -2.179 -3.640 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.312 -2.624 7.650 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.217 -2.079 9.640 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.456 -1.832 9.552 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.556 -0.699 8.732 1.00 0.00 H new ATOM 488 N LYS A 30 0.084 -4.157 7.197 1.00 0.00 N ATOM 489 CA LYS A 30 1.263 -4.931 7.551 1.00 0.00 C ATOM 490 C LYS A 30 2.459 -4.436 6.751 1.00 0.00 C ATOM 491 O LYS A 30 3.451 -3.977 7.318 1.00 0.00 O ATOM 492 CB LYS A 30 1.022 -6.415 7.263 1.00 0.00 C ATOM 493 CG LYS A 30 2.317 -7.205 7.484 1.00 0.00 C ATOM 494 CD LYS A 30 2.760 -7.075 8.946 1.00 0.00 C ATOM 495 CE LYS A 30 3.676 -8.246 9.311 1.00 0.00 C ATOM 496 NZ LYS A 30 4.333 -7.973 10.619 1.00 0.00 N ATOM 0 H LYS A 30 -0.723 -4.711 6.910 1.00 0.00 H new ATOM 0 HA LYS A 30 1.466 -4.807 8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.236 -6.798 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.677 -6.544 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.161 -8.254 7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.099 -6.832 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.283 -6.131 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.889 -7.064 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.099 -9.169 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.429 -8.388 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.955 -8.768 10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.896 -7.101 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.607 -7.859 11.355 1.00 0.00 H new ATOM 510 N LEU A 31 2.355 -4.523 5.428 1.00 0.00 N ATOM 511 CA LEU A 31 3.434 -4.071 4.563 1.00 0.00 C ATOM 512 C LEU A 31 3.970 -2.727 5.045 1.00 0.00 C ATOM 513 O LEU A 31 5.131 -2.391 4.814 1.00 0.00 O ATOM 514 CB LEU A 31 2.920 -3.940 3.127 1.00 0.00 C ATOM 515 CG LEU A 31 4.047 -3.458 2.209 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.226 -4.434 2.281 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.526 -3.390 0.771 1.00 0.00 C ATOM 0 H LEU A 31 1.543 -4.898 4.938 1.00 0.00 H new ATOM 0 HA LEU A 31 4.242 -4.802 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.542 -4.901 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.087 -3.238 3.093 1.00 0.00 H new ATOM 0 HG LEU A 31 4.381 -2.471 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.026 -4.087 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.593 -4.486 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.899 -5.424 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.323 -3.047 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.195 -4.380 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.689 -2.694 0.720 1.00 0.00 H new ATOM 529 N ALA A 32 3.114 -1.967 5.720 1.00 0.00 N ATOM 530 CA ALA A 32 3.508 -0.660 6.240 1.00 0.00 C ATOM 531 C ALA A 32 4.284 -0.824 7.543 1.00 0.00 C ATOM 532 O ALA A 32 5.272 -0.131 7.785 1.00 0.00 O ATOM 533 CB ALA A 32 2.263 0.211 6.476 1.00 0.00 C ATOM 0 H ALA A 32 2.149 -2.230 5.920 1.00 0.00 H new ATOM 0 HA ALA A 32 4.149 -0.170 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.567 1.183 6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.730 0.346 5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.608 -0.278 7.197 1.00 0.00 H new ATOM 539 N GLN A 33 3.826 -1.750 8.377 1.00 0.00 N ATOM 540 CA GLN A 33 4.474 -2.011 9.657 1.00 0.00 C ATOM 541 C GLN A 33 5.770 -2.783 9.450 1.00 0.00 C ATOM 542 O GLN A 33 6.607 -2.867 10.350 1.00 0.00 O ATOM 543 CB GLN A 33 3.538 -2.809 10.567 1.00 0.00 C ATOM 544 CG GLN A 33 2.334 -1.945 10.948 1.00 0.00 C ATOM 545 CD GLN A 33 2.733 -0.926 12.010 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.893 -0.161 12.484 1.00 0.00 O ATOM 547 NE2 GLN A 33 3.973 -0.869 12.414 1.00 0.00 N ATOM 0 H GLN A 33 3.009 -2.332 8.190 1.00 0.00 H new ATOM 0 HA GLN A 33 4.705 -1.056 10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.203 -3.713 10.058 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.070 -3.126 11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.952 -1.431 10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.528 -2.576 11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.667 -1.504 12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.247 -0.190 13.124 1.00 0.00 H new ATOM 556 N SER A 34 5.930 -3.339 8.257 1.00 0.00 N ATOM 557 CA SER A 34 7.129 -4.100 7.934 1.00 0.00 C ATOM 558 C SER A 34 8.282 -3.143 7.693 1.00 0.00 C ATOM 559 O SER A 34 9.361 -3.292 8.266 1.00 0.00 O ATOM 560 CB SER A 34 6.893 -4.952 6.688 1.00 0.00 C ATOM 561 OG SER A 34 7.036 -4.139 5.531 1.00 0.00 O ATOM 0 H SER A 34 5.249 -3.278 7.500 1.00 0.00 H new ATOM 0 HA SER A 34 7.370 -4.760 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.604 -5.777 6.657 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.896 -5.392 6.717 1.00 0.00 H new ATOM 0 HG SER A 34 6.259 -3.547 5.449 1.00 0.00 H new ATOM 567 N ILE A 35 8.033 -2.145 6.856 1.00 0.00 N ATOM 568 CA ILE A 35 9.036 -1.146 6.556 1.00 0.00 C ATOM 569 C ILE A 35 8.844 0.046 7.482 1.00 0.00 C ATOM 570 O ILE A 35 9.693 0.933 7.560 1.00 0.00 O ATOM 571 CB ILE A 35 8.919 -0.716 5.097 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.539 -0.106 4.842 1.00 0.00 C ATOM 573 CG2 ILE A 35 9.105 -1.936 4.192 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.353 0.112 3.337 1.00 0.00 C ATOM 0 H ILE A 35 7.144 -2.010 6.375 1.00 0.00 H new ATOM 0 HA ILE A 35 10.031 -1.562 6.712 1.00 0.00 H new ATOM 0 HB ILE A 35 9.687 0.027 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.760 -0.766 5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.443 0.841 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.022 -1.631 3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.089 -2.371 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.337 -2.676 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.371 0.547 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.125 0.788 2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.431 -0.844 2.819 1.00 0.00 H new ATOM 586 N SER A 36 7.720 0.039 8.203 1.00 0.00 N ATOM 587 CA SER A 36 7.415 1.109 9.154 1.00 0.00 C ATOM 588 C SER A 36 6.767 2.307 8.467 1.00 0.00 C ATOM 589 O SER A 36 6.816 3.424 8.981 1.00 0.00 O ATOM 590 CB SER A 36 8.692 1.560 9.869 1.00 0.00 C ATOM 591 OG SER A 36 9.288 2.624 9.139 1.00 0.00 O ATOM 0 H SER A 36 7.010 -0.691 8.147 1.00 0.00 H new ATOM 0 HA SER A 36 6.707 0.709 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.459 1.885 10.883 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.389 0.726 9.953 1.00 0.00 H new ATOM 0 HG SER A 36 9.416 2.350 8.207 1.00 0.00 H new ATOM 597 N CYS A 37 6.149 2.070 7.316 1.00 0.00 N ATOM 598 CA CYS A 37 5.480 3.146 6.588 1.00 0.00 C ATOM 599 C CYS A 37 3.976 3.069 6.816 1.00 0.00 C ATOM 600 O CYS A 37 3.505 2.223 7.574 1.00 0.00 O ATOM 601 CB CYS A 37 5.774 3.039 5.092 1.00 0.00 C ATOM 602 SG CYS A 37 7.513 3.438 4.787 1.00 0.00 S ATOM 0 H CYS A 37 6.096 1.155 6.869 1.00 0.00 H new ATOM 0 HA CYS A 37 5.856 4.101 6.957 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.554 2.032 4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.131 3.720 4.535 1.00 0.00 H new ATOM 0 HG CYS A 37 7.763 3.345 3.515 1.00 0.00 H new ATOM 608 N GLU A 38 3.227 3.961 6.175 1.00 0.00 N ATOM 609 CA GLU A 38 1.779 3.981 6.330 1.00 0.00 C ATOM 610 C GLU A 38 1.074 3.390 5.117 1.00 0.00 C ATOM 611 O GLU A 38 1.569 3.451 3.993 1.00 0.00 O ATOM 612 CB GLU A 38 1.303 5.417 6.545 1.00 0.00 C ATOM 613 CG GLU A 38 1.278 5.696 8.037 1.00 0.00 C ATOM 614 CD GLU A 38 0.885 7.146 8.297 1.00 0.00 C ATOM 615 OE1 GLU A 38 -0.302 7.407 8.406 1.00 0.00 O ATOM 616 OE2 GLU A 38 1.777 7.974 8.383 1.00 0.00 O ATOM 0 H GLU A 38 3.597 4.675 5.547 1.00 0.00 H new ATOM 0 HA GLU A 38 1.529 3.369 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.969 6.117 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.310 5.555 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.571 5.027 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.259 5.495 8.468 1.00 0.00 H new ATOM 623 N GLU A 39 -0.101 2.830 5.372 1.00 0.00 N ATOM 624 CA GLU A 39 -0.910 2.233 4.311 1.00 0.00 C ATOM 625 C GLU A 39 -1.615 3.323 3.514 1.00 0.00 C ATOM 626 O GLU A 39 -2.066 3.102 2.389 1.00 0.00 O ATOM 627 CB GLU A 39 -1.957 1.268 4.895 1.00 0.00 C ATOM 628 CG GLU A 39 -2.657 1.892 6.109 1.00 0.00 C ATOM 629 CD GLU A 39 -3.394 3.163 5.700 1.00 0.00 C ATOM 630 OE1 GLU A 39 -4.118 3.115 4.719 1.00 0.00 O ATOM 631 OE2 GLU A 39 -3.224 4.166 6.374 1.00 0.00 O ATOM 0 H GLU A 39 -0.517 2.775 6.302 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.245 1.672 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.695 1.020 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.475 0.335 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.360 1.178 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.924 2.122 6.882 1.00 0.00 H new ATOM 638 N SER A 40 -1.727 4.489 4.130 1.00 0.00 N ATOM 639 CA SER A 40 -2.407 5.624 3.509 1.00 0.00 C ATOM 640 C SER A 40 -1.539 6.318 2.461 1.00 0.00 C ATOM 641 O SER A 40 -1.996 7.244 1.792 1.00 0.00 O ATOM 642 CB SER A 40 -2.811 6.634 4.582 1.00 0.00 C ATOM 643 OG SER A 40 -1.667 6.980 5.353 1.00 0.00 O ATOM 0 H SER A 40 -1.356 4.678 5.061 1.00 0.00 H new ATOM 0 HA SER A 40 -3.290 5.235 3.002 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.235 7.525 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.583 6.211 5.225 1.00 0.00 H new ATOM 0 HG SER A 40 -1.921 7.629 6.042 1.00 0.00 H new ATOM 649 N GLN A 41 -0.295 5.873 2.313 1.00 0.00 N ATOM 650 CA GLN A 41 0.606 6.471 1.333 1.00 0.00 C ATOM 651 C GLN A 41 1.064 5.410 0.350 1.00 0.00 C ATOM 652 O GLN A 41 1.357 5.693 -0.812 1.00 0.00 O ATOM 653 CB GLN A 41 1.815 7.071 2.040 1.00 0.00 C ATOM 654 CG GLN A 41 2.317 6.074 3.071 1.00 0.00 C ATOM 655 CD GLN A 41 3.568 6.611 3.754 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.208 5.901 4.532 1.00 0.00 O ATOM 657 NE2 GLN A 41 3.960 7.830 3.507 1.00 0.00 N ATOM 0 H GLN A 41 0.109 5.108 2.853 1.00 0.00 H new ATOM 0 HA GLN A 41 0.079 7.259 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.601 7.298 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.544 8.010 2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.541 5.885 3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.537 5.121 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.429 8.416 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.798 8.198 3.958 1.00 0.00 H new ATOM 666 N ILE A 42 1.123 4.185 0.844 1.00 0.00 N ATOM 667 CA ILE A 42 1.541 3.052 0.052 1.00 0.00 C ATOM 668 C ILE A 42 0.543 2.764 -1.067 1.00 0.00 C ATOM 669 O ILE A 42 -0.656 3.007 -0.932 1.00 0.00 O ATOM 670 CB ILE A 42 1.676 1.850 0.995 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.152 1.592 1.290 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.049 0.600 0.383 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.264 0.707 2.526 1.00 0.00 C ATOM 0 H ILE A 42 0.881 3.953 1.807 1.00 0.00 H new ATOM 0 HA ILE A 42 2.496 3.262 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 42 1.149 2.080 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.628 1.109 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.674 2.535 1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.159 -0.237 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.010 0.779 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.550 0.364 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.315 0.518 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.802 1.209 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.755 -0.239 2.343 1.00 0.00 H new ATOM 685 N LYS A 43 1.063 2.229 -2.163 1.00 0.00 N ATOM 686 CA LYS A 43 0.245 1.880 -3.321 1.00 0.00 C ATOM 687 C LYS A 43 0.666 0.515 -3.851 1.00 0.00 C ATOM 688 O LYS A 43 1.821 0.320 -4.229 1.00 0.00 O ATOM 689 CB LYS A 43 0.414 2.930 -4.420 1.00 0.00 C ATOM 690 CG LYS A 43 0.243 4.335 -3.827 1.00 0.00 C ATOM 691 CD LYS A 43 -0.423 5.249 -4.858 1.00 0.00 C ATOM 692 CE LYS A 43 -0.494 6.674 -4.310 1.00 0.00 C ATOM 693 NZ LYS A 43 -0.809 7.618 -5.420 1.00 0.00 N ATOM 0 H LYS A 43 2.056 2.025 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.802 1.847 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.399 2.836 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.321 2.766 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.363 4.288 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.213 4.740 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.142 5.235 -5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.425 4.886 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.258 6.739 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.455 6.944 -3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.857 8.588 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.065 7.562 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.724 7.363 -5.843 1.00 0.00 H new ATOM 707 N LEU A 44 -0.265 -0.436 -3.862 1.00 0.00 N ATOM 708 CA LEU A 44 0.046 -1.782 -4.335 1.00 0.00 C ATOM 709 C LEU A 44 -0.359 -1.965 -5.790 1.00 0.00 C ATOM 710 O LEU A 44 -1.532 -1.863 -6.149 1.00 0.00 O ATOM 711 CB LEU A 44 -0.654 -2.821 -3.457 1.00 0.00 C ATOM 712 CG LEU A 44 0.224 -3.115 -2.241 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.599 -1.802 -1.550 1.00 0.00 C ATOM 714 CD2 LEU A 44 -0.537 -4.005 -1.261 1.00 0.00 C ATOM 0 H LEU A 44 -1.228 -0.303 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 44 1.125 -1.923 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.628 -2.450 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.831 -3.735 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 44 1.130 -3.626 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.225 -2.013 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.146 -1.167 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.307 -1.289 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.091 -4.213 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.445 -3.496 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.802 -4.942 -1.751 1.00 0.00 H new ATOM 726 N ILE A 45 0.644 -2.219 -6.620 1.00 0.00 N ATOM 727 CA ILE A 45 0.445 -2.402 -8.047 1.00 0.00 C ATOM 728 C ILE A 45 0.398 -3.885 -8.397 1.00 0.00 C ATOM 729 O ILE A 45 1.291 -4.648 -8.028 1.00 0.00 O ATOM 730 CB ILE A 45 1.615 -1.765 -8.806 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.744 -0.248 -8.529 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.420 -1.983 -10.307 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.913 0.196 -7.330 1.00 0.00 C ATOM 0 H ILE A 45 1.616 -2.303 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.499 -1.934 -8.327 1.00 0.00 H new ATOM 0 HB ILE A 45 2.530 -2.244 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.791 -0.001 -8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.429 0.308 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.250 -1.532 -10.851 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.386 -3.052 -10.518 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.485 -1.521 -10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.038 1.268 -7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.138 -0.024 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.245 -0.338 -6.440 1.00 0.00 H new ATOM 745 N TYR A 46 -0.637 -4.281 -9.134 1.00 0.00 N ATOM 746 CA TYR A 46 -0.782 -5.668 -9.556 1.00 0.00 C ATOM 747 C TYR A 46 -0.721 -5.725 -11.073 1.00 0.00 C ATOM 748 O TYR A 46 -1.645 -5.288 -11.760 1.00 0.00 O ATOM 749 CB TYR A 46 -2.119 -6.228 -9.063 1.00 0.00 C ATOM 750 CG TYR A 46 -2.172 -7.729 -9.268 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.228 -8.566 -8.651 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.178 -8.287 -10.067 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.294 -9.953 -8.838 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.242 -9.674 -10.251 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.300 -10.506 -9.637 1.00 0.00 C ATOM 756 OH TYR A 46 -2.365 -11.872 -9.819 1.00 0.00 O ATOM 0 H TYR A 46 -1.384 -3.662 -9.449 1.00 0.00 H new ATOM 0 HA TYR A 46 0.022 -6.269 -9.132 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.251 -5.994 -8.007 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.940 -5.752 -9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.451 -8.141 -8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.906 -7.646 -10.542 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.567 -10.596 -8.364 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.019 -10.101 -10.867 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.124 -12.089 -10.400 1.00 0.00 H new ATOM 766 N SER A 47 0.383 -6.242 -11.590 1.00 0.00 N ATOM 767 CA SER A 47 0.563 -6.325 -13.029 1.00 0.00 C ATOM 768 C SER A 47 0.385 -4.949 -13.661 1.00 0.00 C ATOM 769 O SER A 47 -0.135 -4.827 -14.769 1.00 0.00 O ATOM 770 CB SER A 47 -0.442 -7.307 -13.632 1.00 0.00 C ATOM 771 OG SER A 47 -0.120 -8.626 -13.213 1.00 0.00 O ATOM 0 H SER A 47 1.160 -6.607 -11.040 1.00 0.00 H new ATOM 0 HA SER A 47 1.572 -6.682 -13.233 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.453 -7.050 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.422 -7.244 -14.720 1.00 0.00 H new ATOM 0 HG SER A 47 -0.764 -9.257 -13.597 1.00 0.00 H new ATOM 777 N GLY A 48 0.823 -3.912 -12.946 1.00 0.00 N ATOM 778 CA GLY A 48 0.703 -2.551 -13.454 1.00 0.00 C ATOM 779 C GLY A 48 -0.680 -1.986 -13.154 1.00 0.00 C ATOM 780 O GLY A 48 -1.198 -1.163 -13.909 1.00 0.00 O ATOM 0 H GLY A 48 1.258 -3.989 -12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.466 -1.919 -13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.880 -2.542 -14.529 1.00 0.00 H new ATOM 784 N LYS A 49 -1.280 -2.442 -12.056 1.00 0.00 N ATOM 785 CA LYS A 49 -2.615 -1.979 -11.682 1.00 0.00 C ATOM 786 C LYS A 49 -2.637 -1.489 -10.239 1.00 0.00 C ATOM 787 O LYS A 49 -2.330 -2.236 -9.317 1.00 0.00 O ATOM 788 CB LYS A 49 -3.617 -3.125 -11.846 1.00 0.00 C ATOM 789 CG LYS A 49 -5.057 -2.588 -11.766 1.00 0.00 C ATOM 790 CD LYS A 49 -5.585 -2.654 -10.326 1.00 0.00 C ATOM 791 CE LYS A 49 -5.616 -4.109 -9.834 1.00 0.00 C ATOM 792 NZ LYS A 49 -5.680 -5.036 -11.000 1.00 0.00 N ATOM 0 H LYS A 49 -0.870 -3.123 -11.417 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.888 -1.149 -12.334 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.459 -3.622 -12.803 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.456 -3.872 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.086 -1.558 -12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.704 -3.170 -12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.951 -2.055 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.586 -2.226 -10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.728 -4.320 -9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.479 -4.265 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.921 -5.992 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.407 -4.706 -11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.757 -5.057 -11.478 1.00 0.00 H new ATOM 806 N VAL A 50 -3.019 -0.233 -10.052 1.00 0.00 N ATOM 807 CA VAL A 50 -3.085 0.337 -8.713 1.00 0.00 C ATOM 808 C VAL A 50 -4.231 -0.292 -7.919 1.00 0.00 C ATOM 809 O VAL A 50 -5.367 0.178 -7.980 1.00 0.00 O ATOM 810 CB VAL A 50 -3.294 1.850 -8.801 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.217 2.459 -7.401 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.206 2.464 -9.685 1.00 0.00 C ATOM 0 H VAL A 50 -3.285 0.405 -10.802 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.145 0.129 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.273 2.057 -9.233 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.366 3.537 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.992 2.022 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.238 2.253 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.354 3.542 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.227 2.257 -9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.261 2.031 -10.684 1.00 0.00 H new ATOM 822 N LEU A 51 -3.927 -1.356 -7.180 1.00 0.00 N ATOM 823 CA LEU A 51 -4.940 -2.040 -6.387 1.00 0.00 C ATOM 824 C LEU A 51 -5.718 -1.052 -5.526 1.00 0.00 C ATOM 825 O LEU A 51 -5.352 0.117 -5.413 1.00 0.00 O ATOM 826 CB LEU A 51 -4.280 -3.083 -5.479 1.00 0.00 C ATOM 827 CG LEU A 51 -3.855 -4.308 -6.300 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.690 -5.018 -5.597 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.037 -5.278 -6.433 1.00 0.00 C ATOM 0 H LEU A 51 -2.993 -1.760 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.630 -2.530 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.411 -2.648 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.975 -3.385 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.540 -3.984 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.389 -5.888 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.848 -4.332 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.005 -5.339 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.731 -6.146 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.356 -5.601 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.864 -4.777 -6.935 1.00 0.00 H new ATOM 841 N GLN A 52 -6.788 -1.547 -4.914 1.00 0.00 N ATOM 842 CA GLN A 52 -7.626 -0.721 -4.046 1.00 0.00 C ATOM 843 C GLN A 52 -7.643 -1.294 -2.633 1.00 0.00 C ATOM 844 O GLN A 52 -7.191 -2.414 -2.402 1.00 0.00 O ATOM 845 CB GLN A 52 -9.062 -0.652 -4.585 1.00 0.00 C ATOM 846 CG GLN A 52 -9.060 -0.893 -6.094 1.00 0.00 C ATOM 847 CD GLN A 52 -8.145 0.114 -6.784 1.00 0.00 C ATOM 848 OE1 GLN A 52 -7.710 1.085 -6.167 1.00 0.00 O ATOM 849 NE2 GLN A 52 -7.828 -0.061 -8.039 1.00 0.00 N ATOM 0 H GLN A 52 -7.097 -2.515 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.207 0.285 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.683 -1.398 -4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.497 0.323 -4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.724 -1.908 -6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.073 -0.804 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.190 -0.867 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.219 0.608 -8.509 1.00 0.00 H new ATOM 858 N ASP A 53 -8.161 -0.513 -1.695 1.00 0.00 N ATOM 859 CA ASP A 53 -8.230 -0.937 -0.300 1.00 0.00 C ATOM 860 C ASP A 53 -9.427 -1.852 -0.049 1.00 0.00 C ATOM 861 O ASP A 53 -9.516 -2.493 0.998 1.00 0.00 O ATOM 862 CB ASP A 53 -8.354 0.291 0.596 1.00 0.00 C ATOM 863 CG ASP A 53 -7.125 1.180 0.439 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.038 0.715 0.743 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.289 2.314 0.019 1.00 0.00 O ATOM 0 H ASP A 53 -8.540 0.417 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.319 -1.490 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.253 0.851 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.459 -0.017 1.636 1.00 0.00 H new ATOM 870 N SER A 54 -10.363 -1.881 -0.992 1.00 0.00 N ATOM 871 CA SER A 54 -11.572 -2.692 -0.831 1.00 0.00 C ATOM 872 C SER A 54 -11.487 -4.042 -1.549 1.00 0.00 C ATOM 873 O SER A 54 -12.501 -4.727 -1.685 1.00 0.00 O ATOM 874 CB SER A 54 -12.780 -1.919 -1.359 1.00 0.00 C ATOM 875 OG SER A 54 -12.696 -0.566 -0.930 1.00 0.00 O ATOM 0 H SER A 54 -10.313 -1.360 -1.867 1.00 0.00 H new ATOM 0 HA SER A 54 -11.676 -2.897 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.809 -1.966 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.703 -2.371 -0.996 1.00 0.00 H new ATOM 0 HG SER A 54 -13.469 -0.067 -1.268 1.00 0.00 H new ATOM 881 N LYS A 55 -10.299 -4.432 -2.009 1.00 0.00 N ATOM 882 CA LYS A 55 -10.160 -5.714 -2.703 1.00 0.00 C ATOM 883 C LYS A 55 -9.482 -6.751 -1.815 1.00 0.00 C ATOM 884 O LYS A 55 -8.612 -6.422 -1.012 1.00 0.00 O ATOM 885 CB LYS A 55 -9.332 -5.537 -3.975 1.00 0.00 C ATOM 886 CG LYS A 55 -10.084 -4.641 -4.957 1.00 0.00 C ATOM 887 CD LYS A 55 -9.333 -4.608 -6.290 1.00 0.00 C ATOM 888 CE LYS A 55 -10.177 -3.878 -7.343 1.00 0.00 C ATOM 889 NZ LYS A 55 -11.109 -2.930 -6.670 1.00 0.00 N ATOM 0 H LYS A 55 -9.437 -3.894 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.161 -6.063 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.365 -5.096 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.135 -6.507 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.097 -5.016 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.173 -3.633 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.374 -4.104 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.119 -5.624 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.528 -3.338 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.741 -4.599 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.373 -2.173 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.964 -3.439 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.641 -2.515 -5.839 1.00 0.00 H new ATOM 903 N THR A 56 -9.872 -8.011 -1.985 1.00 0.00 N ATOM 904 CA THR A 56 -9.271 -9.095 -1.216 1.00 0.00 C ATOM 905 C THR A 56 -8.309 -9.875 -2.097 1.00 0.00 C ATOM 906 O THR A 56 -8.535 -10.026 -3.296 1.00 0.00 O ATOM 907 CB THR A 56 -10.339 -10.039 -0.660 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.219 -10.435 -1.702 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.124 -9.339 0.442 1.00 0.00 C ATOM 0 H THR A 56 -10.595 -8.305 -2.642 1.00 0.00 H new ATOM 0 HA THR A 56 -8.732 -8.658 -0.376 1.00 0.00 H new ATOM 0 HB THR A 56 -9.855 -10.923 -0.246 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.900 -11.041 -1.342 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.883 -10.016 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.446 -9.050 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.606 -8.449 0.037 1.00 0.00 H new ATOM 917 N VAL A 57 -7.237 -10.369 -1.499 1.00 0.00 N ATOM 918 CA VAL A 57 -6.249 -11.133 -2.260 1.00 0.00 C ATOM 919 C VAL A 57 -6.955 -12.128 -3.167 1.00 0.00 C ATOM 920 O VAL A 57 -6.461 -12.475 -4.239 1.00 0.00 O ATOM 921 CB VAL A 57 -5.297 -11.874 -1.305 1.00 0.00 C ATOM 922 CG1 VAL A 57 -4.871 -13.219 -1.911 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.051 -11.016 -1.063 1.00 0.00 C ATOM 0 H VAL A 57 -7.026 -10.260 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.664 -10.445 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.815 -12.056 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.198 -13.731 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.753 -13.836 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.360 -13.046 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.375 -11.539 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.546 -10.833 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.345 -10.065 -0.619 1.00 0.00 H new ATOM 933 N SER A 58 -8.114 -12.580 -2.723 1.00 0.00 N ATOM 934 CA SER A 58 -8.890 -13.535 -3.492 1.00 0.00 C ATOM 935 C SER A 58 -9.438 -12.880 -4.752 1.00 0.00 C ATOM 936 O SER A 58 -9.483 -13.499 -5.814 1.00 0.00 O ATOM 937 CB SER A 58 -10.039 -14.064 -2.639 1.00 0.00 C ATOM 938 OG SER A 58 -10.654 -15.160 -3.305 1.00 0.00 O ATOM 0 H SER A 58 -8.537 -12.302 -1.837 1.00 0.00 H new ATOM 0 HA SER A 58 -8.244 -14.363 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.668 -14.378 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.770 -13.274 -2.463 1.00 0.00 H new ATOM 0 HG SER A 58 -11.392 -15.503 -2.758 1.00 0.00 H new ATOM 944 N GLU A 59 -9.851 -11.621 -4.630 1.00 0.00 N ATOM 945 CA GLU A 59 -10.388 -10.898 -5.771 1.00 0.00 C ATOM 946 C GLU A 59 -9.255 -10.256 -6.572 1.00 0.00 C ATOM 947 O GLU A 59 -9.354 -10.104 -7.789 1.00 0.00 O ATOM 948 CB GLU A 59 -11.402 -9.848 -5.290 1.00 0.00 C ATOM 949 CG GLU A 59 -10.722 -8.492 -5.066 1.00 0.00 C ATOM 950 CD GLU A 59 -10.645 -7.720 -6.380 1.00 0.00 C ATOM 951 OE1 GLU A 59 -11.613 -7.052 -6.707 1.00 0.00 O ATOM 952 OE2 GLU A 59 -9.623 -7.805 -7.039 1.00 0.00 O ATOM 0 H GLU A 59 -9.823 -11.088 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.906 -11.594 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.199 -9.742 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.867 -10.184 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.279 -7.915 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.720 -8.641 -4.664 1.00 0.00 H new ATOM 959 N CYS A 60 -8.175 -9.886 -5.881 1.00 0.00 N ATOM 960 CA CYS A 60 -7.034 -9.269 -6.545 1.00 0.00 C ATOM 961 C CYS A 60 -6.403 -10.249 -7.528 1.00 0.00 C ATOM 962 O CYS A 60 -5.802 -9.846 -8.524 1.00 0.00 O ATOM 963 CB CYS A 60 -5.997 -8.839 -5.508 1.00 0.00 C ATOM 964 SG CYS A 60 -6.842 -8.085 -4.095 1.00 0.00 S ATOM 0 H CYS A 60 -8.070 -10.003 -4.873 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.380 -8.392 -7.092 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.414 -9.700 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.297 -8.129 -5.949 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.948 -8.726 -3.858 1.00 0.00 H new ATOM 970 N GLY A 61 -6.552 -11.539 -7.242 1.00 0.00 N ATOM 971 CA GLY A 61 -6.002 -12.576 -8.108 1.00 0.00 C ATOM 972 C GLY A 61 -4.671 -13.093 -7.572 1.00 0.00 C ATOM 973 O GLY A 61 -4.040 -13.953 -8.185 1.00 0.00 O ATOM 0 H GLY A 61 -7.046 -11.890 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.710 -13.401 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.862 -12.178 -9.113 1.00 0.00 H new ATOM 977 N LEU A 62 -4.245 -12.564 -6.429 1.00 0.00 N ATOM 978 CA LEU A 62 -2.988 -12.986 -5.835 1.00 0.00 C ATOM 979 C LEU A 62 -3.084 -14.411 -5.325 1.00 0.00 C ATOM 980 O LEU A 62 -4.106 -14.824 -4.776 1.00 0.00 O ATOM 981 CB LEU A 62 -2.612 -12.057 -4.680 1.00 0.00 C ATOM 982 CG LEU A 62 -2.150 -10.714 -5.233 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.336 -9.632 -4.169 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.673 -10.798 -5.627 1.00 0.00 C ATOM 0 H LEU A 62 -4.748 -11.850 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.218 -12.939 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.468 -11.915 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.820 -12.507 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.743 -10.463 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.005 -8.672 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.389 -9.568 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.746 -9.883 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.346 -9.836 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.077 -11.052 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.543 -11.566 -6.389 1.00 0.00 H new ATOM 996 N LYS A 63 -2.003 -15.154 -5.506 1.00 0.00 N ATOM 997 CA LYS A 63 -1.949 -16.540 -5.062 1.00 0.00 C ATOM 998 C LYS A 63 -0.721 -16.769 -4.185 1.00 0.00 C ATOM 999 O LYS A 63 -0.122 -15.818 -3.683 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.936 -17.479 -6.271 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.779 -17.119 -7.210 1.00 0.00 C ATOM 1002 CD LYS A 63 0.534 -17.696 -6.665 1.00 0.00 C ATOM 1003 CE LYS A 63 1.486 -18.018 -7.824 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.255 -19.418 -8.280 1.00 0.00 N ATOM 0 H LYS A 63 -1.151 -14.821 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.837 -16.755 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.835 -18.512 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.883 -17.408 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.973 -17.513 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.699 -16.036 -7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.001 -16.982 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.332 -18.598 -6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.321 -17.324 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.521 -17.894 -7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.900 -19.638 -9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.433 -20.073 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.271 -19.521 -8.600 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.362 -18.030 -3.993 1.00 0.00 N ATOM 1019 CA ASP A 64 0.786 -18.372 -3.159 1.00 0.00 C ATOM 1020 C ASP A 64 2.097 -18.203 -3.916 1.00 0.00 C ATOM 1021 O ASP A 64 2.286 -18.764 -4.995 1.00 0.00 O ATOM 1022 CB ASP A 64 0.662 -19.816 -2.670 1.00 0.00 C ATOM 1023 CG ASP A 64 0.599 -20.764 -3.863 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.230 -20.542 -4.729 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.381 -21.701 -3.892 1.00 0.00 O ATOM 0 H ASP A 64 -0.845 -18.831 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 64 0.794 -17.691 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.513 -20.069 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.234 -19.927 -2.059 1.00 0.00 H new ATOM 1030 N GLY A 65 3.009 -17.442 -3.324 1.00 0.00 N ATOM 1031 CA GLY A 65 4.319 -17.219 -3.934 1.00 0.00 C ATOM 1032 C GLY A 65 4.281 -16.132 -5.010 1.00 0.00 C ATOM 1033 O GLY A 65 5.279 -15.899 -5.691 1.00 0.00 O ATOM 0 H GLY A 65 2.870 -16.971 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.034 -16.937 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.676 -18.150 -4.374 1.00 0.00 H new ATOM 1037 N ASP A 66 3.136 -15.471 -5.171 1.00 0.00 N ATOM 1038 CA ASP A 66 3.020 -14.424 -6.181 1.00 0.00 C ATOM 1039 C ASP A 66 3.865 -13.210 -5.800 1.00 0.00 C ATOM 1040 O ASP A 66 4.516 -13.192 -4.754 1.00 0.00 O ATOM 1041 CB ASP A 66 1.547 -14.010 -6.351 1.00 0.00 C ATOM 1042 CG ASP A 66 1.131 -14.105 -7.818 1.00 0.00 C ATOM 1043 OD1 ASP A 66 1.531 -15.055 -8.468 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.418 -13.223 -8.268 1.00 0.00 O ATOM 0 H ASP A 66 2.290 -15.638 -4.626 1.00 0.00 H new ATOM 0 HA ASP A 66 3.389 -14.818 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.910 -14.653 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.406 -12.991 -5.992 1.00 0.00 H new ATOM 1049 N GLN A 67 3.844 -12.197 -6.658 1.00 0.00 N ATOM 1050 CA GLN A 67 4.606 -10.974 -6.417 1.00 0.00 C ATOM 1051 C GLN A 67 3.734 -9.757 -6.686 1.00 0.00 C ATOM 1052 O GLN A 67 2.906 -9.771 -7.597 1.00 0.00 O ATOM 1053 CB GLN A 67 5.837 -10.934 -7.327 1.00 0.00 C ATOM 1054 CG GLN A 67 6.592 -12.261 -7.226 1.00 0.00 C ATOM 1055 CD GLN A 67 7.764 -12.268 -8.202 1.00 0.00 C ATOM 1056 OE1 GLN A 67 7.583 -12.011 -9.393 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.963 -12.548 -7.767 1.00 0.00 N ATOM 0 H GLN A 67 3.309 -12.196 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 67 4.930 -10.962 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.534 -10.754 -8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.489 -10.110 -7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.954 -12.407 -6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.919 -13.090 -7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.111 -12.761 -6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.752 -12.554 -8.414 1.00 0.00 H new ATOM 1066 N VAL A 68 3.909 -8.711 -5.884 1.00 0.00 N ATOM 1067 CA VAL A 68 3.111 -7.501 -6.049 1.00 0.00 C ATOM 1068 C VAL A 68 3.992 -6.258 -6.075 1.00 0.00 C ATOM 1069 O VAL A 68 4.621 -5.906 -5.077 1.00 0.00 O ATOM 1070 CB VAL A 68 2.109 -7.382 -4.892 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.832 -6.688 -5.378 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.763 -8.779 -4.367 1.00 0.00 C ATOM 0 H VAL A 68 4.587 -8.676 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 68 2.582 -7.572 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 68 2.556 -6.792 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.125 -6.607 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.077 -5.691 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.384 -7.272 -6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.052 -8.693 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.321 -9.370 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.670 -9.269 -4.012 1.00 0.00 H new ATOM 1082 N VAL A 69 4.010 -5.573 -7.211 1.00 0.00 N ATOM 1083 CA VAL A 69 4.786 -4.353 -7.323 1.00 0.00 C ATOM 1084 C VAL A 69 4.125 -3.295 -6.457 1.00 0.00 C ATOM 1085 O VAL A 69 2.903 -3.229 -6.393 1.00 0.00 O ATOM 1086 CB VAL A 69 4.836 -3.884 -8.777 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.559 -2.539 -8.856 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.587 -4.918 -9.619 1.00 0.00 C ATOM 0 H VAL A 69 3.503 -5.839 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 69 5.809 -4.530 -6.992 1.00 0.00 H new ATOM 0 HB VAL A 69 3.821 -3.772 -9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.594 -2.205 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.024 -1.803 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.575 -2.649 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.624 -4.585 -10.656 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.602 -5.030 -9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.071 -5.877 -9.564 1.00 0.00 H new ATOM 1098 N PHE A 70 4.920 -2.492 -5.774 1.00 0.00 N ATOM 1099 CA PHE A 70 4.365 -1.461 -4.897 1.00 0.00 C ATOM 1100 C PHE A 70 5.287 -0.248 -4.808 1.00 0.00 C ATOM 1101 O PHE A 70 6.426 -0.281 -5.275 1.00 0.00 O ATOM 1102 CB PHE A 70 4.135 -2.047 -3.499 1.00 0.00 C ATOM 1103 CG PHE A 70 5.396 -1.932 -2.677 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.401 -2.898 -2.797 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.556 -0.860 -1.795 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.568 -2.789 -2.032 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.721 -0.751 -1.030 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.729 -1.716 -1.148 1.00 0.00 C ATOM 0 H PHE A 70 5.939 -2.527 -5.804 1.00 0.00 H new ATOM 0 HA PHE A 70 3.417 -1.128 -5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.319 -1.520 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.837 -3.092 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.276 -3.726 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.779 -0.115 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.345 -3.534 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.844 0.077 -0.348 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.629 -1.632 -0.558 1.00 0.00 H new ATOM 1118 N MET A 71 4.780 0.820 -4.196 1.00 0.00 N ATOM 1119 CA MET A 71 5.555 2.048 -4.037 1.00 0.00 C ATOM 1120 C MET A 71 5.010 2.873 -2.874 1.00 0.00 C ATOM 1121 O MET A 71 3.817 2.825 -2.575 1.00 0.00 O ATOM 1122 CB MET A 71 5.493 2.881 -5.323 1.00 0.00 C ATOM 1123 CG MET A 71 6.394 2.261 -6.394 1.00 0.00 C ATOM 1124 SD MET A 71 6.688 3.474 -7.707 1.00 0.00 S ATOM 1125 CE MET A 71 8.046 4.365 -6.907 1.00 0.00 C ATOM 0 H MET A 71 3.839 0.860 -3.803 1.00 0.00 H new ATOM 0 HA MET A 71 6.590 1.777 -3.830 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.466 2.930 -5.685 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.809 3.904 -5.119 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.341 1.949 -5.953 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.925 1.368 -6.807 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.623 4.901 -7.660 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.641 5.076 -6.187 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.693 3.655 -6.391 1.00 0.00 H new ATOM 1135 N VAL A 72 5.890 3.631 -2.222 1.00 0.00 N ATOM 1136 CA VAL A 72 5.482 4.466 -1.095 1.00 0.00 C ATOM 1137 C VAL A 72 5.460 5.937 -1.495 1.00 0.00 C ATOM 1138 O VAL A 72 6.340 6.407 -2.218 1.00 0.00 O ATOM 1139 CB VAL A 72 6.438 4.273 0.083 1.00 0.00 C ATOM 1140 CG1 VAL A 72 5.836 4.910 1.339 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.652 2.777 0.323 1.00 0.00 C ATOM 0 H VAL A 72 6.882 3.684 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 72 4.478 4.165 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 72 7.394 4.747 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.517 4.773 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.681 5.975 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.881 4.436 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.333 2.637 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.696 2.304 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.079 2.323 -0.571 1.00 0.00 H new ATOM 1151 N SER A 73 4.449 6.657 -1.020 1.00 0.00 N ATOM 1152 CA SER A 73 4.316 8.078 -1.332 1.00 0.00 C ATOM 1153 C SER A 73 4.774 8.932 -0.154 1.00 0.00 C ATOM 1154 O SER A 73 4.470 8.631 0.999 1.00 0.00 O ATOM 1155 CB SER A 73 2.859 8.405 -1.661 1.00 0.00 C ATOM 1156 OG SER A 73 2.423 7.575 -2.730 1.00 0.00 O ATOM 0 H SER A 73 3.713 6.284 -0.421 1.00 0.00 H new ATOM 0 HA SER A 73 4.944 8.301 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.232 8.248 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.763 9.455 -1.938 1.00 0.00 H new ATOM 0 HG SER A 73 1.982 6.779 -2.367 1.00 0.00 H new