USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 53:sc= 0.319 USER MOD Set 1.2: A 32 TYR OH : rot 39:sc= 0.42 USER MOD Single : A 1 SER N :NH3+ -101:sc= 0.0447 (180deg=0) USER MOD Single : A 1 SER OG : rot -158:sc= 0.625 USER MOD Single : A 2 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.042) USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= 0.0112 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00787) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc=-0.00917 (180deg=-0.0665) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 16 ASN : amide:sc= 0.329 K(o=0.33,f=-0.4) USER MOD Single : A 22 MET CE :methyl 171:sc= -0.0189 (180deg=-0.174) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -42:sc= 0.51 USER MOD Single : A 28 ASN : amide:sc= 0.723 K(o=0.72,f=-4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.613 K(o=0.61,f=-0.85) USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000436 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 48 ASN : amide:sc= 0.0552 K(o=0.055,f=-0.84) USER MOD Single : A 51 MET CE :methyl -156:sc= 0 (180deg=-0.0223) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0744) USER MOD Single : A 54 GLN : amide:sc= 0.61 K(o=0.61,f=-0.48) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0665 F(o=-0.69,f=-0.066) USER MOD Single : A 56 GLN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0.623 (180deg=0.617) USER MOD Single : A 63 TYR OH : rot 30:sc= 0.984 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.124 -12.944 -13.253 1.00 0.00 N ATOM 2 CA SER A 1 -13.098 -11.970 -12.839 1.00 0.00 C ATOM 3 C SER A 1 -12.713 -12.142 -11.369 1.00 0.00 C ATOM 4 O SER A 1 -13.522 -12.619 -10.574 1.00 0.00 O ATOM 5 CB SER A 1 -13.573 -10.542 -13.119 1.00 0.00 C ATOM 6 OG SER A 1 -13.791 -10.383 -14.506 1.00 0.00 O ATOM 0 H1 SER A 1 -13.673 -13.721 -13.777 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.601 -13.325 -12.411 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.822 -12.474 -13.864 1.00 0.00 H new ATOM 0 HA SER A 1 -12.202 -12.160 -13.430 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.492 -10.339 -12.570 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.829 -9.825 -12.772 1.00 0.00 H new ATOM 0 HG SER A 1 -13.745 -9.432 -14.737 1.00 0.00 H new ATOM 14 N HIS A 2 -11.480 -11.760 -11.011 1.00 0.00 N ATOM 15 CA HIS A 2 -10.939 -11.941 -9.666 1.00 0.00 C ATOM 16 C HIS A 2 -9.708 -11.054 -9.455 1.00 0.00 C ATOM 17 O HIS A 2 -9.315 -10.317 -10.356 1.00 0.00 O ATOM 18 CB HIS A 2 -10.599 -13.425 -9.445 1.00 0.00 C ATOM 19 CG HIS A 2 -9.559 -13.959 -10.399 1.00 0.00 C ATOM 20 ND1 HIS A 2 -9.830 -14.971 -11.308 1.00 0.00 N ATOM 21 CD2 HIS A 2 -8.240 -13.634 -10.604 1.00 0.00 C ATOM 22 CE1 HIS A 2 -8.695 -15.213 -11.985 1.00 0.00 C ATOM 23 NE2 HIS A 2 -7.685 -14.429 -11.603 1.00 0.00 N ATOM 0 H HIS A 2 -10.828 -11.313 -11.656 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.689 -11.641 -8.934 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -10.244 -13.559 -8.423 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -11.509 -14.016 -9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -7.706 -12.866 -10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -8.609 -15.963 -12.757 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -6.729 -14.415 -11.960 1.00 0.00 H new ATOM 31 N LEU A 3 -9.098 -11.143 -8.265 1.00 0.00 N ATOM 32 CA LEU A 3 -7.856 -10.462 -7.916 1.00 0.00 C ATOM 33 C LEU A 3 -6.708 -11.467 -7.989 1.00 0.00 C ATOM 34 O LEU A 3 -6.828 -12.578 -7.474 1.00 0.00 O ATOM 35 CB LEU A 3 -7.940 -9.878 -6.497 1.00 0.00 C ATOM 36 CG LEU A 3 -8.616 -8.500 -6.406 1.00 0.00 C ATOM 37 CD1 LEU A 3 -7.661 -7.400 -6.879 1.00 0.00 C ATOM 38 CD2 LEU A 3 -9.940 -8.428 -7.171 1.00 0.00 C ATOM 0 H LEU A 3 -9.470 -11.708 -7.502 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.686 -9.643 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.485 -10.577 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.931 -9.800 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.856 -8.341 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.157 -6.432 -6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.769 -7.398 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.376 -7.586 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.366 -7.430 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.763 -8.639 -8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.635 -9.163 -6.766 1.00 0.00 H new ATOM 50 N VAL A 4 -5.602 -11.066 -8.625 1.00 0.00 N ATOM 51 CA VAL A 4 -4.378 -11.849 -8.739 1.00 0.00 C ATOM 52 C VAL A 4 -3.207 -10.943 -8.367 1.00 0.00 C ATOM 53 O VAL A 4 -3.259 -9.745 -8.632 1.00 0.00 O ATOM 54 CB VAL A 4 -4.260 -12.428 -10.162 1.00 0.00 C ATOM 55 CG1 VAL A 4 -4.087 -11.346 -11.238 1.00 0.00 C ATOM 56 CG2 VAL A 4 -3.105 -13.432 -10.264 1.00 0.00 C ATOM 0 H VAL A 4 -5.537 -10.159 -9.087 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.382 -12.701 -8.060 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.205 -12.938 -10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.010 -11.817 -12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.948 -10.677 -11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.181 -10.775 -11.037 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.050 -13.821 -11.281 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.168 -12.935 -10.014 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.276 -14.255 -9.569 1.00 0.00 H new ATOM 66 N LYS A 5 -2.157 -11.495 -7.747 1.00 0.00 N ATOM 67 CA LYS A 5 -0.986 -10.714 -7.372 1.00 0.00 C ATOM 68 C LYS A 5 -0.340 -10.096 -8.613 1.00 0.00 C ATOM 69 O LYS A 5 -0.223 -10.750 -9.648 1.00 0.00 O ATOM 70 CB LYS A 5 0.025 -11.569 -6.600 1.00 0.00 C ATOM 71 CG LYS A 5 -0.493 -11.880 -5.191 1.00 0.00 C ATOM 72 CD LYS A 5 0.516 -12.665 -4.344 1.00 0.00 C ATOM 73 CE LYS A 5 1.801 -11.867 -4.088 1.00 0.00 C ATOM 74 NZ LYS A 5 2.622 -12.499 -3.042 1.00 0.00 N ATOM 0 H LYS A 5 -2.100 -12.482 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.310 -9.909 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.209 -12.499 -7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.978 -11.044 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.736 -10.946 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.418 -12.451 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.059 -12.931 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.764 -13.598 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.377 -11.794 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.547 -10.850 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.609 -12.187 -3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.263 -12.224 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.575 -13.533 -3.141 1.00 0.00 H new ATOM 88 N CYS A 6 0.070 -8.829 -8.493 1.00 0.00 N ATOM 89 CA CYS A 6 0.727 -8.086 -9.561 1.00 0.00 C ATOM 90 C CYS A 6 1.998 -8.804 -10.019 1.00 0.00 C ATOM 91 O CYS A 6 2.750 -9.321 -9.192 1.00 0.00 O ATOM 92 CB CYS A 6 1.088 -6.686 -9.058 1.00 0.00 C ATOM 93 SG CYS A 6 -0.317 -5.664 -8.569 1.00 0.00 S ATOM 0 H CYS A 6 -0.049 -8.288 -7.637 1.00 0.00 H new ATOM 0 HA CYS A 6 0.043 -8.014 -10.407 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.760 -6.785 -8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.641 -6.167 -9.841 1.00 0.00 H new ATOM 98 N ALA A 7 2.243 -8.825 -11.337 1.00 0.00 N ATOM 99 CA ALA A 7 3.467 -9.375 -11.909 1.00 0.00 C ATOM 100 C ALA A 7 4.660 -8.530 -11.456 1.00 0.00 C ATOM 101 O ALA A 7 4.475 -7.395 -11.040 1.00 0.00 O ATOM 102 CB ALA A 7 3.356 -9.386 -13.435 1.00 0.00 C ATOM 0 H ALA A 7 1.593 -8.459 -12.032 1.00 0.00 H new ATOM 0 HA ALA A 7 3.614 -10.399 -11.566 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.270 -9.797 -13.863 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.507 -10.001 -13.734 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.211 -8.368 -13.797 1.00 0.00 H new ATOM 108 N GLU A 8 5.881 -9.068 -11.522 1.00 0.00 N ATOM 109 CA GLU A 8 7.086 -8.411 -11.024 1.00 0.00 C ATOM 110 C GLU A 8 7.295 -6.976 -11.524 1.00 0.00 C ATOM 111 O GLU A 8 7.669 -6.106 -10.740 1.00 0.00 O ATOM 112 CB GLU A 8 8.323 -9.284 -11.255 1.00 0.00 C ATOM 113 CG GLU A 8 8.785 -9.422 -12.716 1.00 0.00 C ATOM 114 CD GLU A 8 7.717 -10.023 -13.628 1.00 0.00 C ATOM 115 OE1 GLU A 8 7.530 -11.256 -13.548 1.00 0.00 O ATOM 116 OE2 GLU A 8 7.098 -9.238 -14.381 1.00 0.00 O ATOM 0 H GLU A 8 6.060 -9.986 -11.929 1.00 0.00 H new ATOM 0 HA GLU A 8 6.930 -8.300 -9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.147 -8.874 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.119 -10.280 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.068 -8.440 -13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.678 -10.047 -12.751 1.00 0.00 H new ATOM 123 N LYS A 9 7.050 -6.718 -12.813 1.00 0.00 N ATOM 124 CA LYS A 9 7.121 -5.376 -13.385 1.00 0.00 C ATOM 125 C LYS A 9 6.172 -4.413 -12.661 1.00 0.00 C ATOM 126 O LYS A 9 6.472 -3.228 -12.529 1.00 0.00 O ATOM 127 CB LYS A 9 6.777 -5.441 -14.878 1.00 0.00 C ATOM 128 CG LYS A 9 7.897 -6.109 -15.687 1.00 0.00 C ATOM 129 CD LYS A 9 7.439 -6.486 -17.103 1.00 0.00 C ATOM 130 CE LYS A 9 6.906 -5.301 -17.917 1.00 0.00 C ATOM 131 NZ LYS A 9 7.906 -4.229 -18.053 1.00 0.00 N ATOM 0 H LYS A 9 6.796 -7.439 -13.488 1.00 0.00 H new ATOM 0 HA LYS A 9 8.135 -4.997 -13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.849 -5.995 -15.014 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.605 -4.433 -15.257 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.751 -5.434 -15.750 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.236 -7.004 -15.166 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.276 -6.935 -17.638 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.661 -7.246 -17.033 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.608 -5.646 -18.907 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.012 -4.904 -17.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.516 -3.463 -18.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.147 -3.857 -17.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.762 -4.608 -18.505 1.00 0.00 H new ATOM 145 N GLU A 10 5.030 -4.934 -12.200 1.00 0.00 N ATOM 146 CA GLU A 10 3.953 -4.196 -11.568 1.00 0.00 C ATOM 147 C GLU A 10 3.981 -4.276 -10.040 1.00 0.00 C ATOM 148 O GLU A 10 3.346 -3.437 -9.409 1.00 0.00 O ATOM 149 CB GLU A 10 2.621 -4.777 -12.039 1.00 0.00 C ATOM 150 CG GLU A 10 2.385 -4.630 -13.546 1.00 0.00 C ATOM 151 CD GLU A 10 1.066 -5.281 -13.959 1.00 0.00 C ATOM 152 OE1 GLU A 10 0.899 -6.480 -13.642 1.00 0.00 O ATOM 153 OE2 GLU A 10 0.249 -4.574 -14.588 1.00 0.00 O ATOM 0 H GLU A 10 4.831 -5.932 -12.265 1.00 0.00 H new ATOM 0 HA GLU A 10 4.076 -3.151 -11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.582 -5.834 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.810 -4.284 -11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.373 -3.574 -13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.208 -5.089 -14.093 1.00 0.00 H new ATOM 160 N LYS A 11 4.665 -5.250 -9.417 1.00 0.00 N ATOM 161 CA LYS A 11 4.598 -5.394 -7.964 1.00 0.00 C ATOM 162 C LYS A 11 5.210 -4.196 -7.230 1.00 0.00 C ATOM 163 O LYS A 11 4.926 -3.981 -6.054 1.00 0.00 O ATOM 164 CB LYS A 11 5.166 -6.744 -7.499 1.00 0.00 C ATOM 165 CG LYS A 11 6.696 -6.778 -7.396 1.00 0.00 C ATOM 166 CD LYS A 11 7.216 -8.163 -6.981 1.00 0.00 C ATOM 167 CE LYS A 11 6.730 -8.628 -5.603 1.00 0.00 C ATOM 168 NZ LYS A 11 7.067 -7.666 -4.539 1.00 0.00 N ATOM 0 H LYS A 11 5.257 -5.933 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 11 3.543 -5.396 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.742 -6.988 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.842 -7.520 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.130 -6.501 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.027 -6.035 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.908 -8.894 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.306 -8.145 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.650 -8.773 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.175 -9.595 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.795 -8.060 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.091 -7.482 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.554 -6.776 -4.700 1.00 0.00 H new ATOM 182 N THR A 12 6.034 -3.413 -7.937 1.00 0.00 N ATOM 183 CA THR A 12 6.657 -2.200 -7.435 1.00 0.00 C ATOM 184 C THR A 12 5.693 -1.009 -7.450 1.00 0.00 C ATOM 185 O THR A 12 5.985 0.009 -6.825 1.00 0.00 O ATOM 186 CB THR A 12 7.885 -1.882 -8.289 1.00 0.00 C ATOM 187 OG1 THR A 12 7.514 -1.816 -9.651 1.00 0.00 O ATOM 188 CG2 THR A 12 8.981 -2.939 -8.110 1.00 0.00 C ATOM 0 H THR A 12 6.288 -3.620 -8.903 1.00 0.00 H new ATOM 0 HA THR A 12 6.946 -2.371 -6.398 1.00 0.00 H new ATOM 0 HB THR A 12 8.281 -0.920 -7.963 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.303 -1.611 -10.195 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.839 -2.682 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.287 -2.972 -7.064 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.597 -3.915 -8.407 1.00 0.00 H new ATOM 196 N PHE A 13 4.554 -1.130 -8.151 1.00 0.00 N ATOM 197 CA PHE A 13 3.505 -0.121 -8.216 1.00 0.00 C ATOM 198 C PHE A 13 3.096 0.367 -6.824 1.00 0.00 C ATOM 199 O PHE A 13 2.699 1.519 -6.681 1.00 0.00 O ATOM 200 CB PHE A 13 2.290 -0.694 -8.959 1.00 0.00 C ATOM 201 CG PHE A 13 1.116 0.257 -9.037 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.157 1.349 -9.921 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.005 0.066 -8.210 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.130 2.309 -9.896 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.029 1.028 -8.179 1.00 0.00 C ATOM 206 CZ PHE A 13 -0.951 2.161 -9.007 1.00 0.00 C ATOM 0 H PHE A 13 4.339 -1.961 -8.702 1.00 0.00 H new ATOM 0 HA PHE A 13 3.896 0.740 -8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.591 -0.968 -9.970 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.971 -1.610 -8.462 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.976 1.450 -10.618 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.079 -0.821 -7.598 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.171 3.160 -10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.875 0.897 -7.520 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.720 2.918 -8.961 1.00 0.00 H new ATOM 216 N CYS A 14 3.202 -0.496 -5.806 1.00 0.00 N ATOM 217 CA CYS A 14 2.937 -0.147 -4.419 1.00 0.00 C ATOM 218 C CYS A 14 4.159 -0.509 -3.586 1.00 0.00 C ATOM 219 O CYS A 14 4.767 -1.557 -3.798 1.00 0.00 O ATOM 220 CB CYS A 14 1.650 -0.815 -3.936 1.00 0.00 C ATOM 221 SG CYS A 14 0.174 -0.041 -4.647 1.00 0.00 S ATOM 0 H CYS A 14 3.479 -1.469 -5.933 1.00 0.00 H new ATOM 0 HA CYS A 14 2.770 0.925 -4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.669 -1.872 -4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.600 -0.761 -2.849 1.00 0.00 H new ATOM 226 N VAL A 15 4.516 0.383 -2.655 1.00 0.00 N ATOM 227 CA VAL A 15 5.716 0.286 -1.836 1.00 0.00 C ATOM 228 C VAL A 15 5.363 0.194 -0.347 1.00 0.00 C ATOM 229 O VAL A 15 4.204 -0.018 0.009 1.00 0.00 O ATOM 230 CB VAL A 15 6.639 1.476 -2.169 1.00 0.00 C ATOM 231 CG1 VAL A 15 6.972 1.523 -3.667 1.00 0.00 C ATOM 232 CG2 VAL A 15 6.024 2.820 -1.763 1.00 0.00 C ATOM 0 H VAL A 15 3.959 1.212 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 15 6.255 -0.634 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 15 7.551 1.318 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.624 2.373 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.477 0.602 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.051 1.628 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.711 3.627 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.083 2.964 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.840 2.826 -0.689 1.00 0.00 H new ATOM 242 N ASN A 16 6.379 0.341 0.517 1.00 0.00 N ATOM 243 CA ASN A 16 6.276 0.259 1.970 1.00 0.00 C ATOM 244 C ASN A 16 5.571 -1.028 2.403 1.00 0.00 C ATOM 245 O ASN A 16 4.666 -1.000 3.233 1.00 0.00 O ATOM 246 CB ASN A 16 5.614 1.521 2.544 1.00 0.00 C ATOM 247 CG ASN A 16 6.447 2.777 2.286 1.00 0.00 C ATOM 248 OD1 ASN A 16 7.633 2.817 2.605 1.00 0.00 O ATOM 249 ND2 ASN A 16 5.830 3.813 1.718 1.00 0.00 N ATOM 0 H ASN A 16 7.331 0.528 0.203 1.00 0.00 H new ATOM 0 HA ASN A 16 7.283 0.214 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.626 1.645 2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.469 1.397 3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.344 4.675 1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.844 3.744 1.466 1.00 0.00 H new ATOM 256 N GLY A 17 5.994 -2.158 1.823 1.00 0.00 N ATOM 257 CA GLY A 17 5.464 -3.478 2.128 1.00 0.00 C ATOM 258 C GLY A 17 4.037 -3.705 1.621 1.00 0.00 C ATOM 259 O GLY A 17 3.443 -4.728 1.957 1.00 0.00 O ATOM 0 H GLY A 17 6.729 -2.173 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.119 -4.232 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.484 -3.626 3.208 1.00 0.00 H new ATOM 263 N GLY A 18 3.472 -2.777 0.836 1.00 0.00 N ATOM 264 CA GLY A 18 2.100 -2.884 0.374 1.00 0.00 C ATOM 265 C GLY A 18 1.979 -3.945 -0.715 1.00 0.00 C ATOM 266 O GLY A 18 2.624 -3.833 -1.757 1.00 0.00 O ATOM 0 H GLY A 18 3.957 -1.941 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.448 -3.138 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.764 -1.921 -0.011 1.00 0.00 H new ATOM 270 N GLU A 19 1.158 -4.974 -0.468 1.00 0.00 N ATOM 271 CA GLU A 19 1.029 -6.110 -1.368 1.00 0.00 C ATOM 272 C GLU A 19 0.082 -5.753 -2.509 1.00 0.00 C ATOM 273 O GLU A 19 -1.109 -5.543 -2.299 1.00 0.00 O ATOM 274 CB GLU A 19 0.553 -7.341 -0.600 1.00 0.00 C ATOM 275 CG GLU A 19 0.607 -8.607 -1.467 1.00 0.00 C ATOM 276 CD GLU A 19 0.156 -9.855 -0.710 1.00 0.00 C ATOM 277 OE1 GLU A 19 -0.545 -9.695 0.313 1.00 0.00 O ATOM 278 OE2 GLU A 19 0.520 -10.958 -1.173 1.00 0.00 O ATOM 0 H GLU A 19 0.569 -5.035 0.362 1.00 0.00 H new ATOM 0 HA GLU A 19 2.001 -6.350 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.173 -7.480 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.468 -7.181 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.025 -8.470 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.625 -8.753 -1.828 1.00 0.00 H new ATOM 285 N CYS A 20 0.642 -5.687 -3.715 1.00 0.00 N ATOM 286 CA CYS A 20 -0.029 -5.264 -4.934 1.00 0.00 C ATOM 287 C CYS A 20 -0.831 -6.406 -5.555 1.00 0.00 C ATOM 288 O CYS A 20 -0.289 -7.489 -5.777 1.00 0.00 O ATOM 289 CB CYS A 20 1.043 -4.778 -5.923 1.00 0.00 C ATOM 290 SG CYS A 20 0.529 -4.106 -7.534 1.00 0.00 S ATOM 0 H CYS A 20 1.618 -5.939 -3.872 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.731 -4.464 -4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.629 -4.009 -5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.714 -5.615 -6.116 1.00 0.00 H new ATOM 295 N PHE A 21 -2.115 -6.151 -5.843 1.00 0.00 N ATOM 296 CA PHE A 21 -2.988 -7.066 -6.561 1.00 0.00 C ATOM 297 C PHE A 21 -3.566 -6.295 -7.743 1.00 0.00 C ATOM 298 O PHE A 21 -3.573 -5.064 -7.749 1.00 0.00 O ATOM 299 CB PHE A 21 -4.099 -7.645 -5.687 1.00 0.00 C ATOM 300 CG PHE A 21 -3.624 -8.433 -4.491 1.00 0.00 C ATOM 301 CD1 PHE A 21 -3.254 -7.763 -3.314 1.00 0.00 C ATOM 302 CD2 PHE A 21 -3.563 -9.836 -4.551 1.00 0.00 C ATOM 303 CE1 PHE A 21 -2.859 -8.495 -2.183 1.00 0.00 C ATOM 304 CE2 PHE A 21 -3.211 -10.571 -3.406 1.00 0.00 C ATOM 305 CZ PHE A 21 -2.868 -9.901 -2.219 1.00 0.00 C ATOM 0 H PHE A 21 -2.577 -5.282 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.410 -7.929 -6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.729 -6.827 -5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.726 -8.290 -6.302 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.273 -6.684 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.786 -10.348 -5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.549 -7.979 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.204 -11.650 -3.438 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.611 -10.466 -1.335 1.00 0.00 H new ATOM 315 N MET A 22 -4.035 -7.036 -8.746 1.00 0.00 N ATOM 316 CA MET A 22 -4.527 -6.518 -10.006 1.00 0.00 C ATOM 317 C MET A 22 -5.851 -7.205 -10.311 1.00 0.00 C ATOM 318 O MET A 22 -5.968 -8.420 -10.147 1.00 0.00 O ATOM 319 CB MET A 22 -3.471 -6.789 -11.080 1.00 0.00 C ATOM 320 CG MET A 22 -3.889 -6.281 -12.462 1.00 0.00 C ATOM 321 SD MET A 22 -2.578 -6.358 -13.712 1.00 0.00 S ATOM 322 CE MET A 22 -2.247 -8.138 -13.747 1.00 0.00 C ATOM 0 H MET A 22 -4.081 -8.054 -8.693 1.00 0.00 H new ATOM 0 HA MET A 22 -4.702 -5.443 -9.971 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.534 -6.313 -10.791 1.00 0.00 H new ATOM 0 HB3 MET A 22 -3.280 -7.861 -11.134 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.741 -6.866 -12.809 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.227 -5.249 -12.370 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.580 -8.368 -14.578 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.778 -8.439 -12.810 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.184 -8.680 -13.874 1.00 0.00 H new ATOM 332 N VAL A 23 -6.847 -6.423 -10.740 1.00 0.00 N ATOM 333 CA VAL A 23 -8.177 -6.921 -11.036 1.00 0.00 C ATOM 334 C VAL A 23 -8.137 -7.590 -12.408 1.00 0.00 C ATOM 335 O VAL A 23 -8.210 -6.919 -13.439 1.00 0.00 O ATOM 336 CB VAL A 23 -9.218 -5.789 -10.953 1.00 0.00 C ATOM 337 CG1 VAL A 23 -10.621 -6.357 -11.203 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.219 -5.123 -9.570 1.00 0.00 C ATOM 0 H VAL A 23 -6.743 -5.419 -10.890 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.485 -7.660 -10.296 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.954 -5.048 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.355 -5.553 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.659 -6.810 -12.194 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.848 -7.112 -10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.966 -4.329 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.457 -5.866 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.235 -4.700 -9.369 1.00 0.00 H new ATOM 348 N LYS A 24 -8.015 -8.922 -12.400 1.00 0.00 N ATOM 349 CA LYS A 24 -8.064 -9.768 -13.576 1.00 0.00 C ATOM 350 C LYS A 24 -9.493 -9.692 -14.107 1.00 0.00 C ATOM 351 O LYS A 24 -10.386 -10.367 -13.600 1.00 0.00 O ATOM 352 CB LYS A 24 -7.641 -11.186 -13.165 1.00 0.00 C ATOM 353 CG LYS A 24 -7.461 -12.177 -14.322 1.00 0.00 C ATOM 354 CD LYS A 24 -8.791 -12.724 -14.854 1.00 0.00 C ATOM 355 CE LYS A 24 -8.540 -13.974 -15.698 1.00 0.00 C ATOM 356 NZ LYS A 24 -9.799 -14.523 -16.228 1.00 0.00 N ATOM 0 H LYS A 24 -7.875 -9.450 -11.539 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.385 -9.454 -14.368 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.703 -11.122 -12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.388 -11.586 -12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.926 -11.685 -15.134 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.840 -13.008 -13.988 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.454 -12.963 -14.023 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.293 -11.965 -15.454 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.871 -13.730 -16.523 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.038 -14.729 -15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.596 -15.370 -16.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.426 -14.778 -15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.265 -13.810 -16.824 1.00 0.00 H new ATOM 370 N ASP A 25 -9.693 -8.837 -15.114 1.00 0.00 N ATOM 371 CA ASP A 25 -10.984 -8.527 -15.700 1.00 0.00 C ATOM 372 C ASP A 25 -10.734 -7.941 -17.086 1.00 0.00 C ATOM 373 O ASP A 25 -9.871 -7.077 -17.239 1.00 0.00 O ATOM 374 CB ASP A 25 -11.707 -7.516 -14.800 1.00 0.00 C ATOM 375 CG ASP A 25 -13.037 -7.036 -15.373 1.00 0.00 C ATOM 376 OD1 ASP A 25 -13.763 -7.885 -15.935 1.00 0.00 O ATOM 377 OD2 ASP A 25 -13.311 -5.825 -15.230 1.00 0.00 O ATOM 0 H ASP A 25 -8.927 -8.327 -15.554 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.608 -9.416 -15.788 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.883 -7.970 -13.825 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.058 -6.655 -14.639 1.00 0.00 H new ATOM 382 N LEU A 26 -11.483 -8.410 -18.091 1.00 0.00 N ATOM 383 CA LEU A 26 -11.323 -7.991 -19.477 1.00 0.00 C ATOM 384 C LEU A 26 -12.082 -6.678 -19.714 1.00 0.00 C ATOM 385 O LEU A 26 -12.938 -6.591 -20.592 1.00 0.00 O ATOM 386 CB LEU A 26 -11.780 -9.141 -20.394 1.00 0.00 C ATOM 387 CG LEU A 26 -11.391 -8.983 -21.877 1.00 0.00 C ATOM 388 CD1 LEU A 26 -9.875 -9.079 -22.094 1.00 0.00 C ATOM 389 CD2 LEU A 26 -12.077 -10.086 -22.691 1.00 0.00 C ATOM 0 H LEU A 26 -12.224 -9.098 -17.957 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.279 -7.784 -19.711 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.358 -10.074 -20.020 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.864 -9.232 -20.326 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.713 -7.993 -22.201 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.651 -8.962 -23.154 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.376 -8.292 -21.528 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.520 -10.052 -21.754 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.808 -9.983 -23.742 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.753 -11.061 -22.327 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.158 -9.999 -22.583 1.00 0.00 H new ATOM 401 N SER A 27 -11.764 -5.653 -18.914 1.00 0.00 N ATOM 402 CA SER A 27 -12.297 -4.305 -19.055 1.00 0.00 C ATOM 403 C SER A 27 -11.294 -3.261 -18.546 1.00 0.00 C ATOM 404 O SER A 27 -11.691 -2.149 -18.201 1.00 0.00 O ATOM 405 CB SER A 27 -13.642 -4.207 -18.322 1.00 0.00 C ATOM 406 OG SER A 27 -14.292 -2.993 -18.635 1.00 0.00 O ATOM 0 H SER A 27 -11.113 -5.747 -18.134 1.00 0.00 H new ATOM 0 HA SER A 27 -12.464 -4.094 -20.111 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.277 -5.048 -18.602 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.481 -4.273 -17.246 1.00 0.00 H new ATOM 0 HG SER A 27 -13.639 -2.262 -18.632 1.00 0.00 H new ATOM 412 N ASN A 28 -10.001 -3.608 -18.491 1.00 0.00 N ATOM 413 CA ASN A 28 -8.959 -2.752 -17.943 1.00 0.00 C ATOM 414 C ASN A 28 -7.583 -3.346 -18.246 1.00 0.00 C ATOM 415 O ASN A 28 -7.456 -4.567 -18.327 1.00 0.00 O ATOM 416 CB ASN A 28 -9.147 -2.579 -16.427 1.00 0.00 C ATOM 417 CG ASN A 28 -9.456 -3.890 -15.698 1.00 0.00 C ATOM 418 OD1 ASN A 28 -10.593 -4.118 -15.293 1.00 0.00 O ATOM 419 ND2 ASN A 28 -8.455 -4.753 -15.523 1.00 0.00 N ATOM 0 H ASN A 28 -9.653 -4.504 -18.832 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.029 -1.770 -18.411 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.243 -2.141 -16.004 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.957 -1.872 -16.247 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.621 -5.636 -15.039 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.523 -4.531 -15.873 1.00 0.00 H new ATOM 426 N PRO A 29 -6.545 -2.507 -18.402 1.00 0.00 N ATOM 427 CA PRO A 29 -5.181 -2.966 -18.594 1.00 0.00 C ATOM 428 C PRO A 29 -4.621 -3.549 -17.293 1.00 0.00 C ATOM 429 O PRO A 29 -4.067 -4.646 -17.306 1.00 0.00 O ATOM 430 CB PRO A 29 -4.398 -1.737 -19.065 1.00 0.00 C ATOM 431 CG PRO A 29 -5.161 -0.560 -18.456 1.00 0.00 C ATOM 432 CD PRO A 29 -6.609 -1.053 -18.425 1.00 0.00 C ATOM 0 HA PRO A 29 -5.113 -3.769 -19.328 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.365 -1.765 -18.720 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.369 -1.674 -20.153 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.797 -0.319 -17.457 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.057 0.342 -19.059 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.130 -0.673 -17.547 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.158 -0.702 -19.299 1.00 0.00 H new ATOM 440 N SER A 30 -4.763 -2.820 -16.177 1.00 0.00 N ATOM 441 CA SER A 30 -4.191 -3.196 -14.895 1.00 0.00 C ATOM 442 C SER A 30 -4.787 -2.341 -13.773 1.00 0.00 C ATOM 443 O SER A 30 -4.082 -1.534 -13.170 1.00 0.00 O ATOM 444 CB SER A 30 -2.658 -3.071 -14.949 1.00 0.00 C ATOM 445 OG SER A 30 -2.271 -1.749 -15.264 1.00 0.00 O ATOM 0 H SER A 30 -5.286 -1.945 -16.148 1.00 0.00 H new ATOM 0 HA SER A 30 -4.438 -4.236 -14.681 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.231 -3.360 -13.988 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.259 -3.759 -15.695 1.00 0.00 H new ATOM 0 HG SER A 30 -2.700 -1.125 -14.641 1.00 0.00 H new ATOM 451 N ARG A 31 -6.085 -2.513 -13.488 1.00 0.00 N ATOM 452 CA ARG A 31 -6.727 -1.837 -12.365 1.00 0.00 C ATOM 453 C ARG A 31 -6.135 -2.416 -11.081 1.00 0.00 C ATOM 454 O ARG A 31 -6.335 -3.593 -10.793 1.00 0.00 O ATOM 455 CB ARG A 31 -8.252 -2.027 -12.413 1.00 0.00 C ATOM 456 CG ARG A 31 -8.926 -0.828 -13.092 1.00 0.00 C ATOM 457 CD ARG A 31 -10.428 -1.053 -13.298 1.00 0.00 C ATOM 458 NE ARG A 31 -11.104 -1.437 -12.050 1.00 0.00 N ATOM 459 CZ ARG A 31 -11.809 -2.561 -11.826 1.00 0.00 C ATOM 460 NH1 ARG A 31 -11.955 -3.512 -12.762 1.00 0.00 N ATOM 461 NH2 ARG A 31 -12.385 -2.736 -10.630 1.00 0.00 N ATOM 0 H ARG A 31 -6.708 -3.117 -14.024 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.544 -0.763 -12.409 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.493 -2.941 -12.955 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.641 -2.145 -11.402 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.773 0.065 -12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.452 -0.644 -14.056 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.881 -0.142 -13.690 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.579 -1.831 -14.046 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.031 -0.782 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.524 -3.395 -13.679 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.497 -4.351 -12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.286 -2.024 -9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.923 -3.582 -10.442 1.00 0.00 H new ATOM 475 N TYR A 32 -5.402 -1.595 -10.322 1.00 0.00 N ATOM 476 CA TYR A 32 -4.685 -2.034 -9.135 1.00 0.00 C ATOM 477 C TYR A 32 -5.538 -1.936 -7.873 1.00 0.00 C ATOM 478 O TYR A 32 -6.432 -1.097 -7.771 1.00 0.00 O ATOM 479 CB TYR A 32 -3.404 -1.213 -8.983 1.00 0.00 C ATOM 480 CG TYR A 32 -2.423 -1.398 -10.123 1.00 0.00 C ATOM 481 CD1 TYR A 32 -1.793 -2.643 -10.303 1.00 0.00 C ATOM 482 CD2 TYR A 32 -2.139 -0.337 -11.002 1.00 0.00 C ATOM 483 CE1 TYR A 32 -0.869 -2.821 -11.345 1.00 0.00 C ATOM 484 CE2 TYR A 32 -1.190 -0.505 -12.025 1.00 0.00 C ATOM 485 CZ TYR A 32 -0.550 -1.745 -12.192 1.00 0.00 C ATOM 486 OH TYR A 32 0.379 -1.907 -13.176 1.00 0.00 O ATOM 0 H TYR A 32 -5.293 -0.601 -10.521 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.435 -3.087 -9.263 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.666 -0.158 -8.909 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.916 -1.487 -8.048 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.021 -3.463 -9.638 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.651 0.608 -10.891 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.404 -3.784 -11.496 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.953 0.318 -12.682 1.00 0.00 H new ATOM 0 HH TYR A 32 0.273 -2.792 -13.583 1.00 0.00 H new ATOM 496 N LEU A 33 -5.228 -2.812 -6.912 1.00 0.00 N ATOM 497 CA LEU A 33 -5.813 -2.860 -5.583 1.00 0.00 C ATOM 498 C LEU A 33 -4.702 -3.362 -4.664 1.00 0.00 C ATOM 499 O LEU A 33 -4.392 -4.551 -4.661 1.00 0.00 O ATOM 500 CB LEU A 33 -7.044 -3.783 -5.597 1.00 0.00 C ATOM 501 CG LEU A 33 -7.943 -3.663 -4.352 1.00 0.00 C ATOM 502 CD1 LEU A 33 -9.224 -4.473 -4.583 1.00 0.00 C ATOM 503 CD2 LEU A 33 -7.273 -4.160 -3.064 1.00 0.00 C ATOM 0 H LEU A 33 -4.527 -3.539 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.170 -1.891 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.639 -3.561 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.708 -4.816 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.154 -2.602 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.867 -4.394 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.749 -4.083 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.968 -5.519 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.963 -4.046 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.007 -5.211 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.372 -3.576 -2.874 1.00 0.00 H new ATOM 515 N CYS A 34 -4.081 -2.456 -3.903 1.00 0.00 N ATOM 516 CA CYS A 34 -2.947 -2.784 -3.053 1.00 0.00 C ATOM 517 C CYS A 34 -3.388 -2.905 -1.599 1.00 0.00 C ATOM 518 O CYS A 34 -3.920 -1.950 -1.033 1.00 0.00 O ATOM 519 CB CYS A 34 -1.862 -1.716 -3.194 1.00 0.00 C ATOM 520 SG CYS A 34 -1.158 -1.578 -4.850 1.00 0.00 S ATOM 0 H CYS A 34 -4.356 -1.474 -3.863 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.539 -3.744 -3.368 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.281 -0.751 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.060 -1.936 -2.489 1.00 0.00 H new ATOM 525 N LYS A 35 -3.159 -4.078 -0.999 1.00 0.00 N ATOM 526 CA LYS A 35 -3.409 -4.312 0.413 1.00 0.00 C ATOM 527 C LYS A 35 -2.206 -3.722 1.147 1.00 0.00 C ATOM 528 O LYS A 35 -1.250 -4.428 1.473 1.00 0.00 O ATOM 529 CB LYS A 35 -3.611 -5.806 0.695 1.00 0.00 C ATOM 530 CG LYS A 35 -4.829 -6.343 -0.068 1.00 0.00 C ATOM 531 CD LYS A 35 -5.134 -7.786 0.344 1.00 0.00 C ATOM 532 CE LYS A 35 -6.163 -8.401 -0.608 1.00 0.00 C ATOM 533 NZ LYS A 35 -6.438 -9.806 -0.263 1.00 0.00 N ATOM 0 H LYS A 35 -2.792 -4.893 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.329 -3.838 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.719 -6.360 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.747 -5.964 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.696 -5.712 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.641 -6.298 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.218 -8.377 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.514 -7.808 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.088 -7.826 -0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.795 -8.341 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.139 -10.195 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.558 -10.357 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.811 -9.859 0.706 1.00 0.00 H new ATOM 547 N CYS A 36 -2.256 -2.403 1.367 1.00 0.00 N ATOM 548 CA CYS A 36 -1.160 -1.647 1.948 1.00 0.00 C ATOM 549 C CYS A 36 -1.015 -1.906 3.440 1.00 0.00 C ATOM 550 O CYS A 36 -1.953 -2.348 4.104 1.00 0.00 O ATOM 551 CB CYS A 36 -1.294 -0.156 1.632 1.00 0.00 C ATOM 552 SG CYS A 36 -1.303 0.159 -0.150 1.00 0.00 S ATOM 0 H CYS A 36 -3.071 -1.832 1.141 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.237 -1.998 1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.214 0.227 2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.469 0.388 2.093 1.00 0.00 H new ATOM 557 N GLN A 37 0.181 -1.617 3.959 1.00 0.00 N ATOM 558 CA GLN A 37 0.476 -1.717 5.375 1.00 0.00 C ATOM 559 C GLN A 37 -0.293 -0.614 6.106 1.00 0.00 C ATOM 560 O GLN A 37 -0.604 0.415 5.504 1.00 0.00 O ATOM 561 CB GLN A 37 1.994 -1.590 5.581 1.00 0.00 C ATOM 562 CG GLN A 37 2.762 -2.751 4.934 1.00 0.00 C ATOM 563 CD GLN A 37 2.389 -4.117 5.508 1.00 0.00 C ATOM 564 OE1 GLN A 37 2.105 -4.242 6.697 1.00 0.00 O ATOM 565 NE2 GLN A 37 2.390 -5.151 4.665 1.00 0.00 N ATOM 0 H GLN A 37 0.973 -1.305 3.397 1.00 0.00 H new ATOM 0 HA GLN A 37 0.165 -2.681 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.339 -0.647 5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.214 -1.560 6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.570 -2.751 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.832 -2.589 5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.631 -5.009 3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.150 -6.083 5.001 1.00 0.00 H new ATOM 574 N PRO A 38 -0.621 -0.808 7.392 1.00 0.00 N ATOM 575 CA PRO A 38 -1.342 0.184 8.166 1.00 0.00 C ATOM 576 C PRO A 38 -0.499 1.453 8.294 1.00 0.00 C ATOM 577 O PRO A 38 0.711 1.388 8.503 1.00 0.00 O ATOM 578 CB PRO A 38 -1.631 -0.474 9.518 1.00 0.00 C ATOM 579 CG PRO A 38 -0.530 -1.526 9.648 1.00 0.00 C ATOM 580 CD PRO A 38 -0.316 -1.974 8.203 1.00 0.00 C ATOM 0 HA PRO A 38 -2.276 0.492 7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.593 0.249 10.332 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.622 -0.926 9.540 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.379 -1.108 10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.836 -2.354 10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.709 -2.308 8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.967 -2.811 7.950 1.00 0.00 H new ATOM 588 N GLY A 39 -1.154 2.607 8.149 1.00 0.00 N ATOM 589 CA GLY A 39 -0.536 3.912 8.278 1.00 0.00 C ATOM 590 C GLY A 39 0.168 4.353 6.996 1.00 0.00 C ATOM 591 O GLY A 39 1.247 4.935 7.078 1.00 0.00 O ATOM 0 H GLY A 39 -2.150 2.652 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.297 4.647 8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.184 3.891 9.096 1.00 0.00 H new ATOM 595 N PHE A 40 -0.432 4.087 5.824 1.00 0.00 N ATOM 596 CA PHE A 40 0.069 4.552 4.533 1.00 0.00 C ATOM 597 C PHE A 40 -1.073 5.089 3.677 1.00 0.00 C ATOM 598 O PHE A 40 -2.225 4.692 3.846 1.00 0.00 O ATOM 599 CB PHE A 40 0.859 3.461 3.799 1.00 0.00 C ATOM 600 CG PHE A 40 2.217 3.239 4.426 1.00 0.00 C ATOM 601 CD1 PHE A 40 2.364 2.349 5.503 1.00 0.00 C ATOM 602 CD2 PHE A 40 3.329 3.966 3.962 1.00 0.00 C ATOM 603 CE1 PHE A 40 3.571 2.304 6.217 1.00 0.00 C ATOM 604 CE2 PHE A 40 4.529 3.943 4.692 1.00 0.00 C ATOM 605 CZ PHE A 40 4.650 3.116 5.823 1.00 0.00 C ATOM 0 H PHE A 40 -1.288 3.536 5.752 1.00 0.00 H new ATOM 0 HA PHE A 40 0.765 5.369 4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.294 2.529 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.982 3.742 2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.548 1.699 5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.260 4.539 3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.672 1.647 7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.360 4.561 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.570 3.104 6.388 1.00 0.00 H new ATOM 615 N THR A 41 -0.733 6.006 2.765 1.00 0.00 N ATOM 616 CA THR A 41 -1.664 6.666 1.865 1.00 0.00 C ATOM 617 C THR A 41 -0.961 7.032 0.555 1.00 0.00 C ATOM 618 O THR A 41 0.271 7.027 0.461 1.00 0.00 O ATOM 619 CB THR A 41 -2.312 7.878 2.556 1.00 0.00 C ATOM 620 OG1 THR A 41 -3.418 8.323 1.798 1.00 0.00 O ATOM 621 CG2 THR A 41 -1.335 9.041 2.746 1.00 0.00 C ATOM 0 H THR A 41 0.231 6.314 2.635 1.00 0.00 H new ATOM 0 HA THR A 41 -2.474 5.982 1.611 1.00 0.00 H new ATOM 0 HB THR A 41 -2.630 7.549 3.545 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.830 9.094 2.242 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.846 9.869 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.496 8.715 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.966 9.369 1.774 1.00 0.00 H new ATOM 629 N GLY A 42 -1.784 7.350 -0.449 1.00 0.00 N ATOM 630 CA GLY A 42 -1.382 7.622 -1.816 1.00 0.00 C ATOM 631 C GLY A 42 -1.703 6.393 -2.664 1.00 0.00 C ATOM 632 O GLY A 42 -1.829 5.289 -2.133 1.00 0.00 O ATOM 0 H GLY A 42 -2.792 7.426 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.908 8.496 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.316 7.846 -1.861 1.00 0.00 H new ATOM 636 N ALA A 43 -1.833 6.579 -3.983 1.00 0.00 N ATOM 637 CA ALA A 43 -2.130 5.500 -4.921 1.00 0.00 C ATOM 638 C ALA A 43 -1.123 4.353 -4.794 1.00 0.00 C ATOM 639 O ALA A 43 -1.495 3.186 -4.902 1.00 0.00 O ATOM 640 CB ALA A 43 -2.137 6.054 -6.348 1.00 0.00 C ATOM 0 H ALA A 43 -1.733 7.491 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.114 5.096 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.359 5.250 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.898 6.830 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.160 6.478 -6.579 1.00 0.00 H new ATOM 646 N ARG A 44 0.147 4.702 -4.560 1.00 0.00 N ATOM 647 CA ARG A 44 1.255 3.771 -4.426 1.00 0.00 C ATOM 648 C ARG A 44 1.601 3.476 -2.956 1.00 0.00 C ATOM 649 O ARG A 44 2.567 2.758 -2.702 1.00 0.00 O ATOM 650 CB ARG A 44 2.461 4.355 -5.171 1.00 0.00 C ATOM 651 CG ARG A 44 2.152 4.621 -6.653 1.00 0.00 C ATOM 652 CD ARG A 44 3.432 4.932 -7.434 1.00 0.00 C ATOM 653 NE ARG A 44 4.346 3.782 -7.443 1.00 0.00 N ATOM 654 CZ ARG A 44 5.552 3.766 -8.031 1.00 0.00 C ATOM 655 NH1 ARG A 44 6.011 4.843 -8.684 1.00 0.00 N ATOM 656 NH2 ARG A 44 6.306 2.661 -7.966 1.00 0.00 N ATOM 0 H ARG A 44 0.433 5.675 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 44 0.968 2.814 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.766 5.285 -4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.302 3.666 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.659 3.751 -7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.457 5.457 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.178 5.205 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.932 5.793 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 44 4.041 2.933 -6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.442 5.688 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.930 4.818 -9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.963 1.838 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.224 2.643 -8.411 1.00 0.00 H new ATOM 670 N CYS A 45 0.840 4.015 -1.988 1.00 0.00 N ATOM 671 CA CYS A 45 1.092 3.855 -0.554 1.00 0.00 C ATOM 672 C CYS A 45 2.535 4.228 -0.211 1.00 0.00 C ATOM 673 O CYS A 45 3.251 3.475 0.446 1.00 0.00 O ATOM 674 CB CYS A 45 0.680 2.453 -0.100 1.00 0.00 C ATOM 675 SG CYS A 45 -1.100 2.182 -0.297 1.00 0.00 S ATOM 0 H CYS A 45 0.018 4.584 -2.189 1.00 0.00 H new ATOM 0 HA CYS A 45 0.472 4.550 0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.228 1.708 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.956 2.313 0.945 1.00 0.00 H new ATOM 680 N THR A 46 2.944 5.410 -0.683 1.00 0.00 N ATOM 681 CA THR A 46 4.280 5.970 -0.560 1.00 0.00 C ATOM 682 C THR A 46 4.383 6.816 0.704 1.00 0.00 C ATOM 683 O THR A 46 5.406 6.781 1.387 1.00 0.00 O ATOM 684 CB THR A 46 4.566 6.845 -1.791 1.00 0.00 C ATOM 685 OG1 THR A 46 3.416 7.598 -2.128 1.00 0.00 O ATOM 686 CG2 THR A 46 4.983 5.990 -2.988 1.00 0.00 C ATOM 0 H THR A 46 2.311 6.031 -1.188 1.00 0.00 H new ATOM 0 HA THR A 46 5.008 5.161 -0.498 1.00 0.00 H new ATOM 0 HB THR A 46 5.386 7.519 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.607 8.154 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.179 6.635 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.886 5.432 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.182 5.293 -3.234 1.00 0.00 H new ATOM 694 N GLU A 47 3.324 7.575 1.006 1.00 0.00 N ATOM 695 CA GLU A 47 3.308 8.520 2.105 1.00 0.00 C ATOM 696 C GLU A 47 2.825 7.819 3.370 1.00 0.00 C ATOM 697 O GLU A 47 1.768 7.196 3.360 1.00 0.00 O ATOM 698 CB GLU A 47 2.391 9.685 1.707 1.00 0.00 C ATOM 699 CG GLU A 47 2.213 10.728 2.812 1.00 0.00 C ATOM 700 CD GLU A 47 3.536 11.383 3.202 1.00 0.00 C ATOM 701 OE1 GLU A 47 3.917 12.348 2.504 1.00 0.00 O ATOM 702 OE2 GLU A 47 4.146 10.908 4.185 1.00 0.00 O ATOM 0 H GLU A 47 2.449 7.543 0.483 1.00 0.00 H new ATOM 0 HA GLU A 47 4.305 8.909 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.799 10.172 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.414 9.289 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.514 11.495 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.771 10.255 3.689 1.00 0.00 H new ATOM 709 N ASN A 48 3.600 7.929 4.455 1.00 0.00 N ATOM 710 CA ASN A 48 3.235 7.402 5.761 1.00 0.00 C ATOM 711 C ASN A 48 2.286 8.371 6.471 1.00 0.00 C ATOM 712 O ASN A 48 2.377 9.583 6.282 1.00 0.00 O ATOM 713 CB ASN A 48 4.496 7.150 6.596 1.00 0.00 C ATOM 714 CG ASN A 48 5.264 8.440 6.881 1.00 0.00 C ATOM 715 OD1 ASN A 48 6.016 8.913 6.033 1.00 0.00 O ATOM 716 ND2 ASN A 48 5.079 9.011 8.073 1.00 0.00 N ATOM 0 H ASN A 48 4.508 8.393 4.443 1.00 0.00 H new ATOM 0 HA ASN A 48 2.716 6.452 5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.218 6.678 7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.145 6.451 6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.571 9.873 8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.445 8.586 8.749 1.00 0.00 H new ATOM 723 N VAL A 49 1.379 7.831 7.293 1.00 0.00 N ATOM 724 CA VAL A 49 0.414 8.587 8.082 1.00 0.00 C ATOM 725 C VAL A 49 0.192 7.885 9.424 1.00 0.00 C ATOM 726 O VAL A 49 0.428 6.681 9.527 1.00 0.00 O ATOM 727 CB VAL A 49 -0.926 8.727 7.329 1.00 0.00 C ATOM 728 CG1 VAL A 49 -0.849 9.818 6.258 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.417 7.415 6.709 1.00 0.00 C ATOM 0 H VAL A 49 1.298 6.823 7.428 1.00 0.00 H new ATOM 0 HA VAL A 49 0.811 9.588 8.254 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.658 9.014 8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.808 9.893 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.613 10.773 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.071 9.566 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.363 7.587 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.678 7.051 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.560 6.673 7.494 1.00 0.00 H new ATOM 739 N PRO A 50 -0.263 8.614 10.458 1.00 0.00 N ATOM 740 CA PRO A 50 -0.614 8.028 11.741 1.00 0.00 C ATOM 741 C PRO A 50 -1.793 7.073 11.548 1.00 0.00 C ATOM 742 O PRO A 50 -2.795 7.451 10.945 1.00 0.00 O ATOM 743 CB PRO A 50 -0.979 9.207 12.648 1.00 0.00 C ATOM 744 CG PRO A 50 -1.401 10.306 11.675 1.00 0.00 C ATOM 745 CD PRO A 50 -0.499 10.051 10.470 1.00 0.00 C ATOM 0 HA PRO A 50 0.197 7.448 12.181 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.787 8.949 13.333 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.131 9.518 13.258 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.457 10.232 11.414 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.245 11.300 12.094 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.976 10.378 9.546 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.438 10.602 10.557 1.00 0.00 H new ATOM 753 N MET A 51 -1.658 5.838 12.048 1.00 0.00 N ATOM 754 CA MET A 51 -2.649 4.780 11.894 1.00 0.00 C ATOM 755 C MET A 51 -4.003 5.247 12.432 1.00 0.00 C ATOM 756 O MET A 51 -4.955 5.409 11.670 1.00 0.00 O ATOM 757 CB MET A 51 -2.176 3.509 12.617 1.00 0.00 C ATOM 758 CG MET A 51 -0.890 2.937 12.013 1.00 0.00 C ATOM 759 SD MET A 51 -0.285 1.454 12.858 1.00 0.00 S ATOM 760 CE MET A 51 1.321 1.278 12.044 1.00 0.00 C ATOM 0 H MET A 51 -0.838 5.547 12.581 1.00 0.00 H new ATOM 0 HA MET A 51 -2.766 4.547 10.836 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.010 3.734 13.671 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.962 2.755 12.572 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.066 2.700 10.964 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.114 3.702 12.041 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.646 0.239 12.101 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.233 1.574 10.999 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.053 1.915 12.541 1.00 0.00 H new ATOM 770 N LYS A 52 -4.069 5.471 13.748 1.00 0.00 N ATOM 771 CA LYS A 52 -5.232 5.984 14.446 1.00 0.00 C ATOM 772 C LYS A 52 -4.857 6.938 15.586 1.00 0.00 C ATOM 773 O LYS A 52 -5.726 7.291 16.384 1.00 0.00 O ATOM 774 CB LYS A 52 -6.053 4.801 14.959 1.00 0.00 C ATOM 775 CG LYS A 52 -5.322 3.956 16.012 1.00 0.00 C ATOM 776 CD LYS A 52 -6.354 3.239 16.889 1.00 0.00 C ATOM 777 CE LYS A 52 -5.693 2.338 17.939 1.00 0.00 C ATOM 778 NZ LYS A 52 -4.967 1.214 17.324 1.00 0.00 N ATOM 0 H LYS A 52 -3.281 5.291 14.371 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.827 6.574 13.748 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.984 5.174 15.387 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.322 4.164 14.117 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.673 3.228 15.525 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.684 4.591 16.626 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.980 3.978 17.389 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.010 2.639 16.259 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.003 2.929 18.541 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.455 1.951 18.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.651 0.557 18.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.596 0.714 16.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.140 1.576 16.807 1.00 0.00 H new ATOM 792 N VAL A 53 -3.588 7.367 15.675 1.00 0.00 N ATOM 793 CA VAL A 53 -3.152 8.341 16.671 1.00 0.00 C ATOM 794 C VAL A 53 -3.487 9.752 16.175 1.00 0.00 C ATOM 795 O VAL A 53 -2.618 10.607 16.020 1.00 0.00 O ATOM 796 CB VAL A 53 -1.682 8.118 17.086 1.00 0.00 C ATOM 797 CG1 VAL A 53 -1.549 6.783 17.831 1.00 0.00 C ATOM 798 CG2 VAL A 53 -0.677 8.145 15.927 1.00 0.00 C ATOM 0 H VAL A 53 -2.842 7.046 15.058 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.702 8.203 17.602 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.431 8.962 17.728 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.510 6.630 18.122 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.176 6.800 18.722 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.867 5.969 17.179 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.329 7.980 16.314 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.925 7.360 15.212 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.720 9.114 15.431 1.00 0.00 H new ATOM 808 N GLN A 54 -4.785 9.963 15.926 1.00 0.00 N ATOM 809 CA GLN A 54 -5.384 11.174 15.394 1.00 0.00 C ATOM 810 C GLN A 54 -6.373 11.689 16.437 1.00 0.00 C ATOM 811 O GLN A 54 -6.215 12.790 16.961 1.00 0.00 O ATOM 812 CB GLN A 54 -6.086 10.862 14.067 1.00 0.00 C ATOM 813 CG GLN A 54 -5.071 10.447 12.996 1.00 0.00 C ATOM 814 CD GLN A 54 -5.750 10.062 11.685 1.00 0.00 C ATOM 815 OE1 GLN A 54 -6.815 10.574 11.347 1.00 0.00 O ATOM 816 NE2 GLN A 54 -5.129 9.147 10.944 1.00 0.00 N ATOM 0 H GLN A 54 -5.482 9.240 16.105 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.630 11.936 15.194 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.813 10.063 14.214 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.640 11.738 13.729 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.376 11.268 12.817 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.483 9.605 13.361 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.246 8.747 11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.536 8.846 10.059 1.00 0.00 H new ATOM 825 N ASN A 55 -7.385 10.866 16.744 1.00 0.00 N ATOM 826 CA ASN A 55 -8.361 11.138 17.793 1.00 0.00 C ATOM 827 C ASN A 55 -7.684 11.099 19.165 1.00 0.00 C ATOM 828 O ASN A 55 -8.057 11.851 20.064 1.00 0.00 O ATOM 829 CB ASN A 55 -9.531 10.143 17.709 1.00 0.00 C ATOM 830 CG ASN A 55 -9.204 8.760 18.280 1.00 0.00 C ATOM 831 OD1 ASN A 55 -8.282 8.029 17.651 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -9.776 8.356 19.289 1.00 0.00 N flip ATOM 0 H ASN A 55 -7.546 9.982 16.261 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.770 12.138 17.650 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.386 10.555 18.245 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.830 10.035 16.667 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.476 8.940 19.746 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.551 7.437 19.670 1.00 0.00 H new ATOM 839 N GLN A 56 -6.682 10.221 19.310 1.00 0.00 N ATOM 840 CA GLN A 56 -5.869 10.084 20.503 1.00 0.00 C ATOM 841 C GLN A 56 -4.883 11.251 20.566 1.00 0.00 C ATOM 842 O GLN A 56 -3.701 11.096 20.272 1.00 0.00 O ATOM 843 CB GLN A 56 -5.137 8.741 20.462 1.00 0.00 C ATOM 844 CG GLN A 56 -6.095 7.555 20.617 1.00 0.00 C ATOM 845 CD GLN A 56 -5.392 6.239 20.298 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.066 5.470 21.198 1.00 0.00 O ATOM 847 NE2 GLN A 56 -5.158 5.975 19.011 1.00 0.00 N ATOM 0 H GLN A 56 -6.415 9.571 18.571 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.492 10.106 21.397 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.599 8.651 19.518 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.392 8.711 21.257 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.483 7.527 21.635 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.950 7.685 19.954 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.445 6.641 18.293 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.692 5.107 18.745 1.00 0.00 H new ATOM 856 N GLU A 57 -5.388 12.424 20.949 1.00 0.00 N ATOM 857 CA GLU A 57 -4.599 13.631 21.122 1.00 0.00 C ATOM 858 C GLU A 57 -4.076 13.658 22.557 1.00 0.00 C ATOM 859 O GLU A 57 -2.874 13.551 22.783 1.00 0.00 O ATOM 860 CB GLU A 57 -5.458 14.854 20.771 1.00 0.00 C ATOM 861 CG GLU A 57 -4.659 16.157 20.881 1.00 0.00 C ATOM 862 CD GLU A 57 -5.487 17.351 20.419 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.642 17.495 19.187 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.951 18.100 21.306 1.00 0.00 O ATOM 0 H GLU A 57 -6.379 12.558 21.150 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.739 13.650 20.453 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.845 14.749 19.757 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.319 14.898 21.438 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.343 16.307 21.913 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.754 16.084 20.278 1.00 0.00 H new ATOM 871 N LYS A 58 -4.992 13.785 23.523 1.00 0.00 N ATOM 872 CA LYS A 58 -4.674 13.841 24.941 1.00 0.00 C ATOM 873 C LYS A 58 -4.075 12.518 25.426 1.00 0.00 C ATOM 874 O LYS A 58 -3.187 12.521 26.276 1.00 0.00 O ATOM 875 CB LYS A 58 -5.946 14.177 25.729 1.00 0.00 C ATOM 876 CG LYS A 58 -6.627 15.486 25.301 1.00 0.00 C ATOM 877 CD LYS A 58 -5.677 16.690 25.358 1.00 0.00 C ATOM 878 CE LYS A 58 -6.437 18.016 25.241 1.00 0.00 C ATOM 879 NZ LYS A 58 -7.189 18.117 23.979 1.00 0.00 N ATOM 0 H LYS A 58 -5.991 13.852 23.330 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.927 14.618 25.105 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.656 13.358 25.616 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.697 14.240 26.788 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.010 15.377 24.286 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.485 15.673 25.947 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.120 16.671 26.295 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.947 16.616 24.552 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.125 18.114 26.081 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.732 18.844 25.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.646 19.050 23.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.538 17.999 23.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.915 17.373 23.947 1.00 0.00 H new ATOM 893 N ALA A 59 -4.564 11.394 24.886 1.00 0.00 N ATOM 894 CA ALA A 59 -4.094 10.058 25.224 1.00 0.00 C ATOM 895 C ALA A 59 -2.604 9.887 24.913 1.00 0.00 C ATOM 896 O ALA A 59 -1.876 9.310 25.720 1.00 0.00 O ATOM 897 CB ALA A 59 -4.938 9.020 24.481 1.00 0.00 C ATOM 0 H ALA A 59 -5.310 11.395 24.191 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.209 9.909 26.298 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.588 8.019 24.733 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.983 9.123 24.774 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.845 9.177 23.406 1.00 0.00 H new ATOM 903 N GLU A 60 -2.145 10.388 23.758 1.00 0.00 N ATOM 904 CA GLU A 60 -0.734 10.360 23.399 1.00 0.00 C ATOM 905 C GLU A 60 0.059 11.326 24.275 1.00 0.00 C ATOM 906 O GLU A 60 -0.443 12.377 24.671 1.00 0.00 O ATOM 907 CB GLU A 60 -0.541 10.752 21.925 1.00 0.00 C ATOM 908 CG GLU A 60 -1.064 9.676 20.965 1.00 0.00 C ATOM 909 CD GLU A 60 -0.214 8.410 20.991 1.00 0.00 C ATOM 910 OE1 GLU A 60 0.918 8.474 20.465 1.00 0.00 O ATOM 911 OE2 GLU A 60 -0.711 7.400 21.535 1.00 0.00 O ATOM 0 H GLU A 60 -2.744 10.820 23.054 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.371 9.344 23.554 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.057 11.692 21.730 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.518 10.924 21.732 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.091 9.426 21.229 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.084 10.076 19.951 1.00 0.00 H new ATOM 918 N GLU A 61 1.314 10.961 24.559 1.00 0.00 N ATOM 919 CA GLU A 61 2.259 11.801 25.275 1.00 0.00 C ATOM 920 C GLU A 61 2.850 12.727 24.212 1.00 0.00 C ATOM 921 O GLU A 61 3.979 12.533 23.769 1.00 0.00 O ATOM 922 CB GLU A 61 3.298 10.912 25.976 1.00 0.00 C ATOM 923 CG GLU A 61 4.263 11.725 26.847 1.00 0.00 C ATOM 924 CD GLU A 61 5.177 10.806 27.654 1.00 0.00 C ATOM 925 OE1 GLU A 61 6.235 10.425 27.107 1.00 0.00 O ATOM 926 OE2 GLU A 61 4.799 10.495 28.804 1.00 0.00 O ATOM 0 H GLU A 61 1.701 10.056 24.290 1.00 0.00 H new ATOM 0 HA GLU A 61 1.812 12.399 26.069 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.785 10.176 26.595 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.865 10.359 25.227 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.864 12.380 26.216 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.697 12.366 27.523 1.00 0.00 H new ATOM 933 N LEU A 62 2.040 13.711 23.800 1.00 0.00 N ATOM 934 CA LEU A 62 2.293 14.664 22.726 1.00 0.00 C ATOM 935 C LEU A 62 3.734 15.174 22.717 1.00 0.00 C ATOM 936 O LEU A 62 4.107 16.016 23.532 1.00 0.00 O ATOM 937 CB LEU A 62 1.301 15.832 22.825 1.00 0.00 C ATOM 938 CG LEU A 62 -0.162 15.419 22.583 1.00 0.00 C ATOM 939 CD1 LEU A 62 -1.082 16.578 22.981 1.00 0.00 C ATOM 940 CD2 LEU A 62 -0.417 15.054 21.114 1.00 0.00 C ATOM 0 H LEU A 62 1.133 13.868 24.240 1.00 0.00 H new ATOM 0 HA LEU A 62 2.147 14.141 21.781 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.383 16.285 23.813 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.579 16.597 22.099 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.368 14.537 23.189 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.120 16.293 22.812 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.937 16.812 24.036 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.844 17.455 22.379 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.461 14.768 20.986 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.196 15.914 20.482 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.225 14.220 20.830 1.00 0.00 H new ATOM 952 N TYR A 63 4.527 14.658 21.771 1.00 0.00 N ATOM 953 CA TYR A 63 5.920 15.040 21.581 1.00 0.00 C ATOM 954 C TYR A 63 6.000 16.219 20.612 1.00 0.00 C ATOM 955 O TYR A 63 6.558 17.259 21.025 1.00 0.00 O ATOM 956 CB TYR A 63 6.722 13.841 21.060 1.00 0.00 C ATOM 957 CG TYR A 63 6.657 12.620 21.958 1.00 0.00 C ATOM 958 CD1 TYR A 63 7.229 12.663 23.242 1.00 0.00 C ATOM 959 CD2 TYR A 63 6.019 11.444 21.517 1.00 0.00 C ATOM 960 CE1 TYR A 63 7.128 11.553 24.098 1.00 0.00 C ATOM 961 CE2 TYR A 63 5.924 10.332 22.370 1.00 0.00 C ATOM 962 CZ TYR A 63 6.461 10.393 23.668 1.00 0.00 C ATOM 963 OH TYR A 63 6.332 9.325 24.507 1.00 0.00 O ATOM 964 OXT TYR A 63 5.502 16.064 19.476 1.00 0.00 O ATOM 0 H TYR A 63 4.208 13.952 21.108 1.00 0.00 H new ATOM 0 HA TYR A 63 6.350 15.348 22.534 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.353 13.572 20.070 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.764 14.138 20.942 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.747 13.551 23.571 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.602 11.397 20.522 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.563 11.591 25.086 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.438 9.430 22.029 1.00 0.00 H new ATOM 0 HH TYR A 63 6.293 9.640 25.434 1.00 0.00 H new TER 974 TYR A 63