USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.9!) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 CYS SG : rot 180:sc= 0.0131 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 8 MET CE :methyl 145:sc= -0.0925 (180deg=-1.88!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.187 USER MOD Single : A 19 SER OG : rot 180:sc= -0.541! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.263 K(o=-0.26,f=-2.2!) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0155) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-3.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 51 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.36) USER MOD Single : A 52 TYR OH : rot 0:sc= -5.4! USER MOD Single : A 55 SER OG : rot 68:sc= 1.1 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -19.1! C(o=-19!,f=-20!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 70:sc= 0.112 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 8.901 5.473 -5.439 1.00 0.00 N ATOM 47 CA LEU A 4 7.533 5.024 -5.634 1.00 0.00 C ATOM 48 C LEU A 4 7.055 4.298 -4.374 1.00 0.00 C ATOM 49 O LEU A 4 5.862 4.047 -4.213 1.00 0.00 O ATOM 50 CB LEU A 4 7.420 4.184 -6.907 1.00 0.00 C ATOM 51 CG LEU A 4 7.330 2.669 -6.707 1.00 0.00 C ATOM 52 CD1 LEU A 4 8.511 2.154 -5.882 1.00 0.00 C ATOM 53 CD2 LEU A 4 5.986 2.278 -6.090 1.00 0.00 C ATOM 0 HA LEU A 4 6.870 5.877 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.537 4.511 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.284 4.396 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 4 7.388 2.190 -7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.423 1.075 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.443 2.383 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.510 2.636 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.947 1.197 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.874 2.766 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.177 2.592 -6.750 1.00 0.00 H new ATOM 65 N SER A 5 8.012 3.981 -3.514 1.00 0.00 N ATOM 66 CA SER A 5 7.704 3.288 -2.274 1.00 0.00 C ATOM 67 C SER A 5 6.482 3.925 -1.609 1.00 0.00 C ATOM 68 O SER A 5 5.549 3.226 -1.218 1.00 0.00 O ATOM 69 CB SER A 5 8.899 3.310 -1.320 1.00 0.00 C ATOM 70 OG SER A 5 9.543 4.581 -1.298 1.00 0.00 O ATOM 0 H SER A 5 9.001 4.191 -3.651 1.00 0.00 H new ATOM 0 HA SER A 5 7.481 2.247 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.564 3.056 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.616 2.546 -1.620 1.00 0.00 H new ATOM 0 HG SER A 5 10.299 4.554 -0.676 1.00 0.00 H new ATOM 76 N CYS A 6 6.528 5.245 -1.501 1.00 0.00 N ATOM 77 CA CYS A 6 5.436 5.984 -0.890 1.00 0.00 C ATOM 78 C CYS A 6 4.155 5.681 -1.669 1.00 0.00 C ATOM 79 O CYS A 6 3.163 5.240 -1.091 1.00 0.00 O ATOM 80 CB CYS A 6 5.729 7.485 -0.836 1.00 0.00 C ATOM 81 SG CYS A 6 7.348 7.925 -0.103 1.00 0.00 S ATOM 0 H CYS A 6 7.304 5.822 -1.826 1.00 0.00 H new ATOM 0 HA CYS A 6 5.314 5.666 0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.683 7.887 -1.848 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.941 7.974 -0.263 1.00 0.00 H new ATOM 0 HG CYS A 6 7.491 9.217 -0.110 1.00 0.00 H new ATOM 86 N GLN A 7 4.218 5.929 -2.969 1.00 0.00 N ATOM 87 CA GLN A 7 3.075 5.688 -3.833 1.00 0.00 C ATOM 88 C GLN A 7 2.299 4.459 -3.356 1.00 0.00 C ATOM 89 O GLN A 7 1.117 4.555 -3.029 1.00 0.00 O ATOM 90 CB GLN A 7 3.513 5.528 -5.290 1.00 0.00 C ATOM 91 CG GLN A 7 3.048 6.715 -6.136 1.00 0.00 C ATOM 92 CD GLN A 7 4.197 7.270 -6.981 1.00 0.00 C ATOM 93 OE1 GLN A 7 4.942 6.542 -7.617 1.00 0.00 O ATOM 94 NE2 GLN A 7 4.299 8.595 -6.951 1.00 0.00 N ATOM 0 H GLN A 7 5.043 6.294 -3.445 1.00 0.00 H new ATOM 0 HA GLN A 7 2.415 6.554 -3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.599 5.444 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.103 4.604 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.231 6.404 -6.787 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.658 7.499 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.642 9.145 -6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.034 9.062 -7.481 1.00 0.00 H new ATOM 103 N MET A 8 2.995 3.332 -3.330 1.00 0.00 N ATOM 104 CA MET A 8 2.386 2.085 -2.899 1.00 0.00 C ATOM 105 C MET A 8 1.584 2.284 -1.611 1.00 0.00 C ATOM 106 O MET A 8 0.433 1.860 -1.520 1.00 0.00 O ATOM 107 CB MET A 8 3.476 1.038 -2.665 1.00 0.00 C ATOM 108 CG MET A 8 4.129 0.622 -3.985 1.00 0.00 C ATOM 109 SD MET A 8 5.717 -0.130 -3.670 1.00 0.00 S ATOM 110 CE MET A 8 5.720 -1.388 -4.936 1.00 0.00 C ATOM 0 H MET A 8 3.976 3.256 -3.601 1.00 0.00 H new ATOM 0 HA MET A 8 1.706 1.745 -3.680 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.233 1.440 -1.992 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.046 0.164 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.484 -0.079 -4.514 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.251 1.492 -4.630 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.734 -1.522 -5.313 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.362 -2.328 -4.516 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.066 -1.083 -5.753 1.00 0.00 H new ATOM 120 N CYS A 9 2.224 2.929 -0.647 1.00 0.00 N ATOM 121 CA CYS A 9 1.585 3.189 0.632 1.00 0.00 C ATOM 122 C CYS A 9 0.277 3.938 0.372 1.00 0.00 C ATOM 123 O CYS A 9 -0.691 3.780 1.113 1.00 0.00 O ATOM 124 CB CYS A 9 2.507 3.961 1.578 1.00 0.00 C ATOM 125 SG CYS A 9 2.332 5.781 1.504 1.00 0.00 S ATOM 0 H CYS A 9 3.179 3.279 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 9 1.368 2.245 1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.314 3.633 2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.540 3.700 1.349 1.00 0.00 H new ATOM 130 N GLU A 10 0.291 4.739 -0.684 1.00 0.00 N ATOM 131 CA GLU A 10 -0.882 5.513 -1.051 1.00 0.00 C ATOM 132 C GLU A 10 -1.841 4.661 -1.885 1.00 0.00 C ATOM 133 O GLU A 10 -2.935 5.107 -2.228 1.00 0.00 O ATOM 134 CB GLU A 10 -0.486 6.787 -1.801 1.00 0.00 C ATOM 135 CG GLU A 10 -1.102 8.024 -1.144 1.00 0.00 C ATOM 136 CD GLU A 10 -0.312 9.285 -1.502 1.00 0.00 C ATOM 137 OE1 GLU A 10 0.932 9.224 -1.397 1.00 0.00 O ATOM 138 OE2 GLU A 10 -0.970 10.281 -1.872 1.00 0.00 O ATOM 0 H GLU A 10 1.096 4.868 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.395 5.813 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.600 6.882 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.815 6.720 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.137 8.135 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.118 7.896 -0.062 1.00 0.00 H new ATOM 146 N LEU A 11 -1.395 3.451 -2.188 1.00 0.00 N ATOM 147 CA LEU A 11 -2.200 2.532 -2.975 1.00 0.00 C ATOM 148 C LEU A 11 -3.025 1.650 -2.036 1.00 0.00 C ATOM 149 O LEU A 11 -4.199 1.390 -2.296 1.00 0.00 O ATOM 150 CB LEU A 11 -1.317 1.742 -3.944 1.00 0.00 C ATOM 151 CG LEU A 11 -2.004 0.604 -4.700 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.195 1.122 -5.509 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.004 -0.155 -5.576 1.00 0.00 C ATOM 0 H LEU A 11 -0.486 3.085 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.906 3.081 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.900 2.437 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.479 1.326 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.395 -0.104 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.665 0.292 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.919 1.581 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.850 1.862 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.518 -0.959 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.562 0.529 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.218 -0.577 -4.949 1.00 0.00 H new ATOM 165 N VAL A 12 -2.379 1.215 -0.965 1.00 0.00 N ATOM 166 CA VAL A 12 -3.039 0.367 0.014 1.00 0.00 C ATOM 167 C VAL A 12 -4.052 1.199 0.802 1.00 0.00 C ATOM 168 O VAL A 12 -5.206 0.800 0.952 1.00 0.00 O ATOM 169 CB VAL A 12 -1.997 -0.309 0.907 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.966 -1.068 0.069 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.316 0.709 1.823 1.00 0.00 C ATOM 0 H VAL A 12 -1.405 1.433 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.590 -0.432 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.515 -1.032 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.237 -1.539 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.469 -1.834 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.456 -0.373 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.580 0.202 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.818 1.467 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.064 1.185 2.458 1.00 0.00 H new ATOM 181 N VAL A 13 -3.584 2.341 1.285 1.00 0.00 N ATOM 182 CA VAL A 13 -4.435 3.233 2.055 1.00 0.00 C ATOM 183 C VAL A 13 -5.599 3.701 1.179 1.00 0.00 C ATOM 184 O VAL A 13 -6.762 3.494 1.523 1.00 0.00 O ATOM 185 CB VAL A 13 -3.607 4.390 2.617 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.543 3.880 3.592 1.00 0.00 C ATOM 187 CG2 VAL A 13 -2.972 5.208 1.491 1.00 0.00 C ATOM 0 H VAL A 13 -2.627 2.669 1.158 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.861 2.710 2.911 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.280 5.046 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.968 4.723 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.027 3.362 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.875 3.192 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.389 6.024 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.319 4.567 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.755 5.617 0.852 1.00 0.00 H new ATOM 197 N LYS A 14 -5.246 4.324 0.064 1.00 0.00 N ATOM 198 CA LYS A 14 -6.247 4.823 -0.863 1.00 0.00 C ATOM 199 C LYS A 14 -7.323 3.755 -1.069 1.00 0.00 C ATOM 200 O LYS A 14 -8.493 4.078 -1.272 1.00 0.00 O ATOM 201 CB LYS A 14 -5.588 5.290 -2.163 1.00 0.00 C ATOM 202 CG LYS A 14 -6.637 5.777 -3.165 1.00 0.00 C ATOM 203 CD LYS A 14 -6.098 6.940 -4.000 1.00 0.00 C ATOM 204 CE LYS A 14 -5.499 6.439 -5.316 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.396 6.759 -6.449 1.00 0.00 N ATOM 0 H LYS A 14 -4.281 4.494 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.744 5.701 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.883 6.094 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.016 4.471 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.927 4.957 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.535 6.092 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.902 7.646 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.339 7.479 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.523 6.898 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.340 5.362 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.974 6.412 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.318 6.301 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.527 7.789 -6.508 1.00 0.00 H new ATOM 219 N LYS A 15 -6.890 2.505 -1.009 1.00 0.00 N ATOM 220 CA LYS A 15 -7.802 1.387 -1.186 1.00 0.00 C ATOM 221 C LYS A 15 -8.512 1.100 0.138 1.00 0.00 C ATOM 222 O LYS A 15 -9.688 0.737 0.150 1.00 0.00 O ATOM 223 CB LYS A 15 -7.062 0.178 -1.762 1.00 0.00 C ATOM 224 CG LYS A 15 -6.702 0.405 -3.232 1.00 0.00 C ATOM 225 CD LYS A 15 -7.962 0.531 -4.092 1.00 0.00 C ATOM 226 CE LYS A 15 -7.616 0.475 -5.581 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.743 0.985 -6.394 1.00 0.00 N ATOM 0 H LYS A 15 -5.919 2.241 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.573 1.636 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.155 -0.006 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.685 -0.712 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.100 1.309 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.092 -0.423 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.657 -0.272 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.468 1.470 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.722 1.068 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.387 -0.551 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.492 0.940 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.587 0.403 -6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.943 1.971 -6.131 1.00 0.00 H new ATOM 241 N TYR A 16 -7.769 1.272 1.221 1.00 0.00 N ATOM 242 CA TYR A 16 -8.313 1.035 2.548 1.00 0.00 C ATOM 243 C TYR A 16 -9.301 2.135 2.940 1.00 0.00 C ATOM 244 O TYR A 16 -10.499 1.884 3.063 1.00 0.00 O ATOM 245 CB TYR A 16 -7.120 1.072 3.506 1.00 0.00 C ATOM 246 CG TYR A 16 -7.499 0.897 4.978 1.00 0.00 C ATOM 247 CD1 TYR A 16 -8.792 0.561 5.322 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.546 1.076 5.961 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.148 0.396 6.708 1.00 0.00 C ATOM 250 CE2 TYR A 16 -6.903 0.911 7.346 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.186 0.579 7.651 1.00 0.00 C ATOM 252 OH TYR A 16 -8.522 0.424 8.960 1.00 0.00 O ATOM 0 H TYR A 16 -6.794 1.573 1.207 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.846 0.085 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.418 0.287 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.600 2.022 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.537 0.422 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.534 1.339 5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.156 0.133 6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.168 1.048 8.125 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.245 -0.233 9.036 1.00 0.00 H new ATOM 262 N GLU A 17 -8.762 3.332 3.124 1.00 0.00 N ATOM 263 CA GLU A 17 -9.582 4.472 3.499 1.00 0.00 C ATOM 264 C GLU A 17 -10.750 4.629 2.524 1.00 0.00 C ATOM 265 O GLU A 17 -11.813 5.122 2.898 1.00 0.00 O ATOM 266 CB GLU A 17 -8.745 5.751 3.564 1.00 0.00 C ATOM 267 CG GLU A 17 -8.302 6.188 2.166 1.00 0.00 C ATOM 268 CD GLU A 17 -9.458 6.838 1.403 1.00 0.00 C ATOM 269 OE1 GLU A 17 -10.264 7.523 2.070 1.00 0.00 O ATOM 270 OE2 GLU A 17 -9.509 6.635 0.171 1.00 0.00 O ATOM 0 H GLU A 17 -7.768 3.537 3.020 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.988 4.292 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.326 6.547 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.869 5.585 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.473 6.892 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.935 5.325 1.611 1.00 0.00 H new ATOM 278 N GLY A 18 -10.513 4.202 1.292 1.00 0.00 N ATOM 279 CA GLY A 18 -11.532 4.290 0.261 1.00 0.00 C ATOM 280 C GLY A 18 -11.817 2.915 -0.347 1.00 0.00 C ATOM 281 O GLY A 18 -11.513 2.673 -1.514 1.00 0.00 O ATOM 0 H GLY A 18 -9.630 3.794 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.448 4.701 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.206 4.977 -0.520 1.00 0.00 H new ATOM 285 N SER A 19 -12.397 2.050 0.472 1.00 0.00 N ATOM 286 CA SER A 19 -12.727 0.706 0.029 1.00 0.00 C ATOM 287 C SER A 19 -14.232 0.591 -0.222 1.00 0.00 C ATOM 288 O SER A 19 -14.710 0.918 -1.307 1.00 0.00 O ATOM 289 CB SER A 19 -12.279 -0.337 1.056 1.00 0.00 C ATOM 290 OG SER A 19 -13.076 -1.517 1.000 1.00 0.00 O ATOM 0 H SER A 19 -12.647 2.254 1.440 1.00 0.00 H new ATOM 0 HA SER A 19 -12.195 0.513 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.235 -0.596 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.335 0.092 2.057 1.00 0.00 H new ATOM 0 HG SER A 19 -12.758 -2.159 1.669 1.00 0.00 H new ATOM 296 N ALA A 20 -14.936 0.126 0.799 1.00 0.00 N ATOM 297 CA ALA A 20 -16.377 -0.035 0.703 1.00 0.00 C ATOM 298 C ALA A 20 -16.849 -1.012 1.781 1.00 0.00 C ATOM 299 O ALA A 20 -17.938 -0.855 2.333 1.00 0.00 O ATOM 300 CB ALA A 20 -16.745 -0.500 -0.707 1.00 0.00 C ATOM 0 H ALA A 20 -14.536 -0.145 1.697 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.882 0.915 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.826 -0.621 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.413 0.242 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.258 -1.453 -0.914 1.00 0.00 H new ATOM 306 N ASP A 21 -16.008 -2.000 2.049 1.00 0.00 N ATOM 307 CA ASP A 21 -16.326 -3.003 3.052 1.00 0.00 C ATOM 308 C ASP A 21 -15.378 -2.846 4.242 1.00 0.00 C ATOM 309 O ASP A 21 -15.634 -3.383 5.319 1.00 0.00 O ATOM 310 CB ASP A 21 -16.152 -4.416 2.492 1.00 0.00 C ATOM 311 CG ASP A 21 -17.402 -5.297 2.560 1.00 0.00 C ATOM 312 OD1 ASP A 21 -18.338 -5.014 1.782 1.00 0.00 O ATOM 313 OD2 ASP A 21 -17.392 -6.232 3.389 1.00 0.00 O ATOM 0 H ASP A 21 -15.107 -2.128 1.589 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.363 -2.860 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.834 -4.342 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.347 -4.910 3.037 1.00 0.00 H new ATOM 319 N LYS A 22 -14.303 -2.108 4.009 1.00 0.00 N ATOM 320 CA LYS A 22 -13.316 -1.874 5.049 1.00 0.00 C ATOM 321 C LYS A 22 -12.574 -3.179 5.345 1.00 0.00 C ATOM 322 O LYS A 22 -12.164 -3.420 6.479 1.00 0.00 O ATOM 323 CB LYS A 22 -13.973 -1.246 6.280 1.00 0.00 C ATOM 324 CG LYS A 22 -14.997 -0.185 5.874 1.00 0.00 C ATOM 325 CD LYS A 22 -14.303 1.103 5.426 1.00 0.00 C ATOM 326 CE LYS A 22 -14.893 2.321 6.139 1.00 0.00 C ATOM 327 NZ LYS A 22 -13.874 2.961 7.001 1.00 0.00 N ATOM 0 H LYS A 22 -14.094 -1.664 3.115 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.571 -1.153 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.462 -2.021 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.209 -0.796 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.620 -0.567 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.659 0.027 6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.235 1.037 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.410 1.222 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.259 3.038 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.749 2.018 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.291 3.786 7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.545 2.279 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.069 3.268 6.418 1.00 0.00 H new ATOM 341 N ASP A 23 -12.424 -3.986 4.305 1.00 0.00 N ATOM 342 CA ASP A 23 -11.738 -5.260 4.440 1.00 0.00 C ATOM 343 C ASP A 23 -10.258 -5.077 4.099 1.00 0.00 C ATOM 344 O ASP A 23 -9.914 -4.769 2.959 1.00 0.00 O ATOM 345 CB ASP A 23 -12.319 -6.301 3.481 1.00 0.00 C ATOM 346 CG ASP A 23 -13.490 -7.112 4.039 1.00 0.00 C ATOM 347 OD1 ASP A 23 -13.448 -7.410 5.252 1.00 0.00 O ATOM 348 OD2 ASP A 23 -14.402 -7.416 3.240 1.00 0.00 O ATOM 0 H ASP A 23 -12.766 -3.783 3.366 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.864 -5.604 5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.648 -5.794 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.525 -6.989 3.192 1.00 0.00 H new ATOM 354 N ALA A 24 -9.423 -5.274 5.108 1.00 0.00 N ATOM 355 CA ALA A 24 -7.987 -5.134 4.929 1.00 0.00 C ATOM 356 C ALA A 24 -7.485 -6.235 3.993 1.00 0.00 C ATOM 357 O ALA A 24 -6.337 -6.204 3.552 1.00 0.00 O ATOM 358 CB ALA A 24 -7.297 -5.169 6.294 1.00 0.00 C ATOM 0 H ALA A 24 -9.712 -5.529 6.052 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.749 -4.175 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.220 -5.064 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.668 -4.350 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.511 -6.118 6.786 1.00 0.00 H new ATOM 364 N ASN A 25 -8.369 -7.183 3.718 1.00 0.00 N ATOM 365 CA ASN A 25 -8.029 -8.292 2.842 1.00 0.00 C ATOM 366 C ASN A 25 -8.270 -7.880 1.388 1.00 0.00 C ATOM 367 O ASN A 25 -7.374 -7.990 0.552 1.00 0.00 O ATOM 368 CB ASN A 25 -8.901 -9.514 3.138 1.00 0.00 C ATOM 369 CG ASN A 25 -8.040 -10.744 3.429 1.00 0.00 C ATOM 370 OD1 ASN A 25 -6.880 -10.650 3.798 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.669 -11.901 3.244 1.00 0.00 N ATOM 0 H ASN A 25 -9.320 -7.206 4.086 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.982 -8.546 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.546 -9.307 3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.553 -9.715 2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.180 -12.780 3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.641 -11.909 2.934 1.00 0.00 H new ATOM 378 N VAL A 26 -9.483 -7.415 1.131 1.00 0.00 N ATOM 379 CA VAL A 26 -9.852 -6.986 -0.207 1.00 0.00 C ATOM 380 C VAL A 26 -9.229 -5.618 -0.490 1.00 0.00 C ATOM 381 O VAL A 26 -9.323 -5.108 -1.605 1.00 0.00 O ATOM 382 CB VAL A 26 -11.375 -6.991 -0.356 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.782 -7.166 -1.821 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.009 -8.073 0.521 1.00 0.00 C ATOM 0 H VAL A 26 -10.223 -7.326 1.827 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.463 -7.681 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.747 -6.024 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.869 -7.166 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.376 -6.345 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.391 -8.112 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.092 -8.055 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.626 -9.050 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.761 -7.886 1.566 1.00 0.00 H new ATOM 394 N ILE A 27 -8.604 -5.064 0.539 1.00 0.00 N ATOM 395 CA ILE A 27 -7.965 -3.765 0.415 1.00 0.00 C ATOM 396 C ILE A 27 -6.549 -3.949 -0.136 1.00 0.00 C ATOM 397 O ILE A 27 -6.175 -3.315 -1.121 1.00 0.00 O ATOM 398 CB ILE A 27 -8.014 -3.014 1.747 1.00 0.00 C ATOM 399 CG1 ILE A 27 -9.371 -2.335 1.944 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.855 -2.022 1.860 1.00 0.00 C ATOM 401 CD1 ILE A 27 -9.553 -1.883 3.394 1.00 0.00 C ATOM 0 H ILE A 27 -8.527 -5.491 1.462 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.506 -3.141 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.897 -3.739 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.451 -1.475 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.170 -3.025 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.913 -1.502 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.909 -2.559 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.916 -1.297 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.525 -1.404 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.496 -2.748 4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.767 -1.175 3.656 1.00 0.00 H new ATOM 413 N LYS A 28 -5.800 -4.820 0.525 1.00 0.00 N ATOM 414 CA LYS A 28 -4.434 -5.095 0.114 1.00 0.00 C ATOM 415 C LYS A 28 -4.442 -5.715 -1.284 1.00 0.00 C ATOM 416 O LYS A 28 -3.454 -5.625 -2.012 1.00 0.00 O ATOM 417 CB LYS A 28 -3.721 -5.951 1.163 1.00 0.00 C ATOM 418 CG LYS A 28 -3.931 -7.442 0.888 1.00 0.00 C ATOM 419 CD LYS A 28 -4.254 -8.198 2.178 1.00 0.00 C ATOM 420 CE LYS A 28 -3.070 -8.161 3.146 1.00 0.00 C ATOM 421 NZ LYS A 28 -3.237 -9.178 4.208 1.00 0.00 N ATOM 0 H LYS A 28 -6.113 -5.344 1.342 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.862 -4.170 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.655 -5.723 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.097 -5.704 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.743 -7.573 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.034 -7.861 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.130 -7.757 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.505 -9.233 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.143 -8.343 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.989 -7.170 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.425 -9.139 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.112 -8.987 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.292 -10.123 3.778 1.00 0.00 H new ATOM 435 N LYS A 29 -5.567 -6.330 -1.618 1.00 0.00 N ATOM 436 CA LYS A 29 -5.716 -6.965 -2.916 1.00 0.00 C ATOM 437 C LYS A 29 -5.841 -5.887 -3.995 1.00 0.00 C ATOM 438 O LYS A 29 -5.156 -5.942 -5.015 1.00 0.00 O ATOM 439 CB LYS A 29 -6.882 -7.955 -2.898 1.00 0.00 C ATOM 440 CG LYS A 29 -6.492 -9.249 -2.179 1.00 0.00 C ATOM 441 CD LYS A 29 -7.731 -9.993 -1.678 1.00 0.00 C ATOM 442 CE LYS A 29 -8.739 -10.203 -2.809 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.205 -11.155 -3.809 1.00 0.00 N ATOM 0 H LYS A 29 -6.384 -6.402 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.831 -7.555 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.740 -7.503 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.188 -8.180 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.928 -9.890 -2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.837 -9.019 -1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.438 -10.958 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.197 -9.428 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.677 -10.581 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.961 -9.249 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.922 -11.325 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.350 -10.756 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.968 -12.053 -3.341 1.00 0.00 H new ATOM 457 N ASP A 30 -6.722 -4.933 -3.733 1.00 0.00 N ATOM 458 CA ASP A 30 -6.946 -3.844 -4.668 1.00 0.00 C ATOM 459 C ASP A 30 -5.601 -3.237 -5.069 1.00 0.00 C ATOM 460 O ASP A 30 -5.381 -2.924 -6.238 1.00 0.00 O ATOM 461 CB ASP A 30 -7.794 -2.739 -4.034 1.00 0.00 C ATOM 462 CG ASP A 30 -9.274 -2.758 -4.419 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.589 -3.422 -5.430 1.00 0.00 O ATOM 464 OD2 ASP A 30 -10.058 -2.109 -3.693 1.00 0.00 O ATOM 0 H ASP A 30 -7.289 -4.892 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.469 -4.247 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.715 -2.818 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.374 -1.773 -4.314 1.00 0.00 H new ATOM 470 N PHE A 31 -4.735 -3.088 -4.077 1.00 0.00 N ATOM 471 CA PHE A 31 -3.417 -2.524 -4.312 1.00 0.00 C ATOM 472 C PHE A 31 -2.675 -3.299 -5.403 1.00 0.00 C ATOM 473 O PHE A 31 -2.343 -2.742 -6.448 1.00 0.00 O ATOM 474 CB PHE A 31 -2.640 -2.642 -3.000 1.00 0.00 C ATOM 475 CG PHE A 31 -1.148 -2.328 -3.130 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.301 -3.253 -3.657 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.668 -1.124 -2.718 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.083 -2.961 -3.777 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.716 -0.832 -2.839 1.00 0.00 C ATOM 480 CZ PHE A 31 1.563 -1.757 -3.366 1.00 0.00 C ATOM 0 H PHE A 31 -4.921 -3.348 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.508 -1.488 -4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.080 -1.966 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.755 -3.654 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.682 -4.209 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.340 -0.390 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.755 -3.696 -4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.097 0.125 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.616 -1.535 -3.458 1.00 0.00 H new ATOM 490 N ASP A 32 -2.437 -4.572 -5.121 1.00 0.00 N ATOM 491 CA ASP A 32 -1.741 -5.429 -6.065 1.00 0.00 C ATOM 492 C ASP A 32 -2.482 -5.415 -7.403 1.00 0.00 C ATOM 493 O ASP A 32 -1.905 -5.737 -8.441 1.00 0.00 O ATOM 494 CB ASP A 32 -1.694 -6.874 -5.566 1.00 0.00 C ATOM 495 CG ASP A 32 -0.289 -7.428 -5.318 1.00 0.00 C ATOM 496 OD1 ASP A 32 0.664 -6.813 -5.844 1.00 0.00 O ATOM 497 OD2 ASP A 32 -0.200 -8.452 -4.607 1.00 0.00 O ATOM 0 H ASP A 32 -2.714 -5.030 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.724 -5.052 -6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.263 -6.941 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.196 -7.511 -6.295 1.00 0.00 H new ATOM 503 N ALA A 33 -3.751 -5.038 -7.337 1.00 0.00 N ATOM 504 CA ALA A 33 -4.577 -4.978 -8.530 1.00 0.00 C ATOM 505 C ALA A 33 -3.907 -4.071 -9.564 1.00 0.00 C ATOM 506 O ALA A 33 -3.390 -4.549 -10.573 1.00 0.00 O ATOM 507 CB ALA A 33 -5.981 -4.498 -8.156 1.00 0.00 C ATOM 0 H ALA A 33 -4.227 -4.771 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.679 -5.967 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.601 -4.453 -9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.425 -5.192 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.919 -3.506 -7.707 1.00 0.00 H new ATOM 513 N GLU A 34 -3.938 -2.778 -9.278 1.00 0.00 N ATOM 514 CA GLU A 34 -3.340 -1.799 -10.171 1.00 0.00 C ATOM 515 C GLU A 34 -1.814 -1.866 -10.085 1.00 0.00 C ATOM 516 O GLU A 34 -1.126 -1.747 -11.098 1.00 0.00 O ATOM 517 CB GLU A 34 -3.846 -0.390 -9.857 1.00 0.00 C ATOM 518 CG GLU A 34 -3.567 -0.019 -8.399 1.00 0.00 C ATOM 519 CD GLU A 34 -4.774 0.682 -7.772 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.716 -0.044 -7.387 1.00 0.00 O ATOM 521 OE2 GLU A 34 -4.727 1.929 -7.691 1.00 0.00 O ATOM 0 H GLU A 34 -4.368 -2.385 -8.441 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.638 -2.037 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.363 0.329 -10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.917 -0.333 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.328 -0.918 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.695 0.633 -8.346 1.00 0.00 H new ATOM 529 N CYS A 35 -1.329 -2.056 -8.867 1.00 0.00 N ATOM 530 CA CYS A 35 0.103 -2.139 -8.636 1.00 0.00 C ATOM 531 C CYS A 35 0.704 -3.081 -9.682 1.00 0.00 C ATOM 532 O CYS A 35 1.888 -2.986 -9.999 1.00 0.00 O ATOM 533 CB CYS A 35 0.420 -2.593 -7.210 1.00 0.00 C ATOM 534 SG CYS A 35 2.077 -2.109 -6.601 1.00 0.00 S ATOM 0 H CYS A 35 -1.902 -2.155 -8.029 1.00 0.00 H new ATOM 0 HA CYS A 35 0.549 -1.150 -8.740 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.333 -2.183 -6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.333 -3.678 -7.162 1.00 0.00 H new ATOM 539 N LYS A 36 -0.141 -3.967 -10.188 1.00 0.00 N ATOM 540 CA LYS A 36 0.292 -4.925 -11.192 1.00 0.00 C ATOM 541 C LYS A 36 0.202 -4.282 -12.577 1.00 0.00 C ATOM 542 O LYS A 36 1.207 -4.156 -13.274 1.00 0.00 O ATOM 543 CB LYS A 36 -0.500 -6.228 -11.066 1.00 0.00 C ATOM 544 CG LYS A 36 0.181 -7.191 -10.091 1.00 0.00 C ATOM 545 CD LYS A 36 0.203 -8.614 -10.651 1.00 0.00 C ATOM 546 CE LYS A 36 1.019 -8.681 -11.944 1.00 0.00 C ATOM 547 NZ LYS A 36 1.861 -9.898 -11.962 1.00 0.00 N ATOM 0 H LYS A 36 -1.123 -4.042 -9.922 1.00 0.00 H new ATOM 0 HA LYS A 36 1.336 -5.197 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.511 -6.011 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.590 -6.699 -12.045 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.200 -6.857 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.345 -7.180 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.629 -9.293 -9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.816 -8.949 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.349 -8.682 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.648 -7.795 -12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.408 -9.928 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.513 -9.881 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.255 -10.741 -11.901 1.00 0.00 H new ATOM 561 N LYS A 37 -1.013 -3.891 -12.935 1.00 0.00 N ATOM 562 CA LYS A 37 -1.248 -3.264 -14.224 1.00 0.00 C ATOM 563 C LYS A 37 -0.537 -1.909 -14.265 1.00 0.00 C ATOM 564 O LYS A 37 0.376 -1.707 -15.064 1.00 0.00 O ATOM 565 CB LYS A 37 -2.748 -3.181 -14.514 1.00 0.00 C ATOM 566 CG LYS A 37 -3.420 -4.541 -14.318 1.00 0.00 C ATOM 567 CD LYS A 37 -4.890 -4.492 -14.742 1.00 0.00 C ATOM 568 CE LYS A 37 -5.059 -4.963 -16.187 1.00 0.00 C ATOM 569 NZ LYS A 37 -6.473 -4.845 -16.608 1.00 0.00 N ATOM 0 H LYS A 37 -1.845 -3.997 -12.354 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.825 -3.870 -15.025 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.209 -2.445 -13.855 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.906 -2.837 -15.536 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.895 -5.298 -14.901 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.349 -4.838 -13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.485 -5.120 -14.079 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.268 -3.475 -14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.426 -4.368 -16.846 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.731 -5.998 -16.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.571 -5.169 -17.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.069 -5.431 -15.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.774 -3.852 -16.539 1.00 0.00 H new ATOM 583 N LEU A 38 -0.983 -1.017 -13.393 1.00 0.00 N ATOM 584 CA LEU A 38 -0.401 0.312 -13.319 1.00 0.00 C ATOM 585 C LEU A 38 1.117 0.210 -13.480 1.00 0.00 C ATOM 586 O LEU A 38 1.716 0.967 -14.243 1.00 0.00 O ATOM 587 CB LEU A 38 -0.837 1.017 -12.032 1.00 0.00 C ATOM 588 CG LEU A 38 0.284 1.395 -11.062 1.00 0.00 C ATOM 589 CD1 LEU A 38 0.921 2.730 -11.453 1.00 0.00 C ATOM 590 CD2 LEU A 38 -0.220 1.401 -9.618 1.00 0.00 C ATOM 0 H LEU A 38 -1.741 -1.189 -12.732 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.767 0.934 -14.136 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.377 1.924 -12.303 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.542 0.371 -11.508 1.00 0.00 H new ATOM 0 HG LEU A 38 1.063 0.636 -11.128 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.715 2.975 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.339 2.654 -12.457 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.164 3.514 -11.434 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.596 1.673 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.028 2.126 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.588 0.409 -9.357 1.00 0.00 H new ATOM 602 N PHE A 39 1.695 -0.732 -12.750 1.00 0.00 N ATOM 603 CA PHE A 39 3.132 -0.943 -12.803 1.00 0.00 C ATOM 604 C PHE A 39 3.462 -2.336 -13.343 1.00 0.00 C ATOM 605 O PHE A 39 4.256 -3.064 -12.749 1.00 0.00 O ATOM 606 CB PHE A 39 3.654 -0.828 -11.369 1.00 0.00 C ATOM 607 CG PHE A 39 3.993 0.602 -10.943 1.00 0.00 C ATOM 608 CD1 PHE A 39 3.594 1.652 -11.709 1.00 0.00 C ATOM 609 CD2 PHE A 39 4.694 0.822 -9.799 1.00 0.00 C ATOM 610 CE1 PHE A 39 3.909 2.979 -11.314 1.00 0.00 C ATOM 611 CE2 PHE A 39 5.009 2.149 -9.404 1.00 0.00 C ATOM 612 CZ PHE A 39 4.610 3.200 -10.169 1.00 0.00 C ATOM 0 H PHE A 39 1.195 -1.358 -12.119 1.00 0.00 H new ATOM 0 HA PHE A 39 3.592 -0.208 -13.464 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.905 -1.231 -10.687 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.545 -1.448 -11.267 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.038 1.477 -12.618 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.011 -0.012 -9.191 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.592 3.813 -11.923 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.566 2.324 -8.495 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.849 4.209 -9.868 1.00 0.00 H new ATOM 622 N HIS A 40 2.835 -2.665 -14.463 1.00 0.00 N ATOM 623 CA HIS A 40 3.053 -3.958 -15.090 1.00 0.00 C ATOM 624 C HIS A 40 4.390 -3.950 -15.832 1.00 0.00 C ATOM 625 O HIS A 40 4.976 -5.004 -16.074 1.00 0.00 O ATOM 626 CB HIS A 40 1.875 -4.328 -15.994 1.00 0.00 C ATOM 627 CG HIS A 40 2.224 -5.311 -17.085 1.00 0.00 C ATOM 628 ND1 HIS A 40 3.012 -6.428 -16.865 1.00 0.00 N ATOM 629 CD2 HIS A 40 1.884 -5.335 -18.406 1.00 0.00 C ATOM 630 CE1 HIS A 40 3.135 -7.085 -18.008 1.00 0.00 C ATOM 631 NE2 HIS A 40 2.435 -6.407 -18.962 1.00 0.00 N ATOM 0 H HIS A 40 2.176 -2.059 -14.952 1.00 0.00 H new ATOM 0 HA HIS A 40 3.107 -4.733 -14.325 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.078 -4.749 -15.381 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.481 -3.420 -16.450 1.00 0.00 H new ATOM 0 HD1 HIS A 40 3.427 -6.699 -15.974 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.270 -4.605 -18.913 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.692 -7.998 -18.158 1.00 0.00 H new ATOM 640 N THR A 41 4.835 -2.749 -16.172 1.00 0.00 N ATOM 641 CA THR A 41 6.093 -2.590 -16.882 1.00 0.00 C ATOM 642 C THR A 41 7.143 -1.953 -15.970 1.00 0.00 C ATOM 643 O THR A 41 7.885 -1.069 -16.394 1.00 0.00 O ATOM 644 CB THR A 41 5.820 -1.782 -18.152 1.00 0.00 C ATOM 645 OG1 THR A 41 5.451 -0.493 -17.670 1.00 0.00 O ATOM 646 CG2 THR A 41 4.578 -2.269 -18.901 1.00 0.00 C ATOM 0 H THR A 41 4.347 -1.877 -15.969 1.00 0.00 H new ATOM 0 HA THR A 41 6.506 -3.555 -17.176 1.00 0.00 H new ATOM 0 HB THR A 41 6.686 -1.839 -18.811 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.258 0.097 -18.428 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.430 -1.662 -19.794 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.713 -3.311 -19.189 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.705 -2.181 -18.254 1.00 0.00 H new ATOM 654 N ILE A 42 7.172 -2.427 -14.733 1.00 0.00 N ATOM 655 CA ILE A 42 8.119 -1.915 -13.757 1.00 0.00 C ATOM 656 C ILE A 42 9.052 -3.044 -13.317 1.00 0.00 C ATOM 657 O ILE A 42 8.626 -4.191 -13.185 1.00 0.00 O ATOM 658 CB ILE A 42 7.382 -1.240 -12.598 1.00 0.00 C ATOM 659 CG1 ILE A 42 6.592 -0.023 -13.085 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.349 -0.881 -11.468 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.527 1.145 -13.407 1.00 0.00 C ATOM 0 H ILE A 42 6.555 -3.160 -14.384 1.00 0.00 H new ATOM 0 HA ILE A 42 8.743 -1.140 -14.202 1.00 0.00 H new ATOM 0 HB ILE A 42 6.662 -1.950 -12.192 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.018 -0.289 -13.972 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.876 0.280 -12.321 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.800 -0.403 -10.657 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.828 -1.787 -11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.110 -0.197 -11.844 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.940 1.997 -13.751 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.082 1.424 -12.511 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.226 0.847 -14.189 1.00 0.00 H new ATOM 673 N PRO A 43 10.341 -2.671 -13.096 1.00 0.00 N ATOM 674 CA PRO A 43 11.339 -3.640 -12.674 1.00 0.00 C ATOM 675 C PRO A 43 11.156 -4.007 -11.200 1.00 0.00 C ATOM 676 O PRO A 43 11.515 -3.233 -10.314 1.00 0.00 O ATOM 677 CB PRO A 43 12.676 -2.977 -12.960 1.00 0.00 C ATOM 678 CG PRO A 43 12.385 -1.491 -13.095 1.00 0.00 C ATOM 679 CD PRO A 43 10.881 -1.323 -13.242 1.00 0.00 C ATOM 0 HA PRO A 43 11.258 -4.588 -13.206 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.385 -3.164 -12.154 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.120 -3.372 -13.873 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.746 -0.950 -12.220 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.902 -1.078 -13.961 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.481 -0.652 -12.482 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.623 -0.896 -14.211 1.00 0.00 H new ATOM 687 N PHE A 44 10.599 -5.189 -10.982 1.00 0.00 N ATOM 688 CA PHE A 44 10.364 -5.669 -9.631 1.00 0.00 C ATOM 689 C PHE A 44 9.153 -4.975 -9.005 1.00 0.00 C ATOM 690 O PHE A 44 8.797 -5.251 -7.861 1.00 0.00 O ATOM 691 CB PHE A 44 11.611 -5.328 -8.813 1.00 0.00 C ATOM 692 CG PHE A 44 11.963 -6.371 -7.750 1.00 0.00 C ATOM 693 CD1 PHE A 44 12.532 -7.551 -8.117 1.00 0.00 C ATOM 694 CD2 PHE A 44 11.707 -6.119 -6.439 1.00 0.00 C ATOM 695 CE1 PHE A 44 12.858 -8.519 -7.131 1.00 0.00 C ATOM 696 CE2 PHE A 44 12.033 -7.087 -5.452 1.00 0.00 C ATOM 697 CZ PHE A 44 12.602 -8.266 -5.819 1.00 0.00 C ATOM 0 H PHE A 44 10.303 -5.829 -11.719 1.00 0.00 H new ATOM 0 HA PHE A 44 10.167 -6.741 -9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.457 -5.215 -9.490 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.461 -4.364 -8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.736 -7.751 -9.159 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.255 -5.182 -6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.309 -9.456 -7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.829 -6.887 -4.411 1.00 0.00 H new ATOM 0 HZ PHE A 44 12.851 -9.002 -5.069 1.00 0.00 H new ATOM 707 N GLY A 45 8.552 -4.087 -9.784 1.00 0.00 N ATOM 708 CA GLY A 45 7.388 -3.351 -9.320 1.00 0.00 C ATOM 709 C GLY A 45 6.300 -4.305 -8.821 1.00 0.00 C ATOM 710 O GLY A 45 5.969 -4.309 -7.637 1.00 0.00 O ATOM 0 H GLY A 45 8.849 -3.861 -10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.678 -2.673 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.995 -2.737 -10.130 1.00 0.00 H new ATOM 714 N THR A 46 5.774 -5.089 -9.750 1.00 0.00 N ATOM 715 CA THR A 46 4.731 -6.045 -9.419 1.00 0.00 C ATOM 716 C THR A 46 5.218 -7.016 -8.342 1.00 0.00 C ATOM 717 O THR A 46 4.428 -7.501 -7.535 1.00 0.00 O ATOM 718 CB THR A 46 4.298 -6.739 -10.712 1.00 0.00 C ATOM 719 OG1 THR A 46 5.495 -7.337 -11.202 1.00 0.00 O ATOM 720 CG2 THR A 46 3.903 -5.745 -11.807 1.00 0.00 C ATOM 0 H THR A 46 6.050 -5.082 -10.732 1.00 0.00 H new ATOM 0 HA THR A 46 3.860 -5.547 -8.993 1.00 0.00 H new ATOM 0 HB THR A 46 3.458 -7.402 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.305 -7.811 -12.039 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.604 -6.290 -12.703 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.070 -5.133 -11.460 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.753 -5.103 -12.039 1.00 0.00 H new ATOM 728 N ARG A 47 6.518 -7.270 -8.365 1.00 0.00 N ATOM 729 CA ARG A 47 7.121 -8.175 -7.401 1.00 0.00 C ATOM 730 C ARG A 47 6.990 -7.606 -5.986 1.00 0.00 C ATOM 731 O ARG A 47 6.443 -8.259 -5.099 1.00 0.00 O ATOM 732 CB ARG A 47 8.600 -8.409 -7.714 1.00 0.00 C ATOM 733 CG ARG A 47 9.345 -8.931 -6.485 1.00 0.00 C ATOM 734 CD ARG A 47 8.534 -10.014 -5.771 1.00 0.00 C ATOM 735 NE ARG A 47 9.385 -11.197 -5.512 1.00 0.00 N ATOM 736 CZ ARG A 47 9.636 -12.155 -6.415 1.00 0.00 C ATOM 737 NH1 ARG A 47 9.101 -12.076 -7.641 1.00 0.00 N ATOM 738 NH2 ARG A 47 10.420 -13.192 -6.091 1.00 0.00 N ATOM 0 H ARG A 47 7.171 -6.865 -9.036 1.00 0.00 H new ATOM 0 HA ARG A 47 6.594 -9.127 -7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.694 -9.124 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.056 -7.478 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.312 -9.335 -6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.543 -8.108 -5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.142 -9.626 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.677 -10.299 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 47 9.807 -11.289 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.503 -11.287 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.292 -12.805 -8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.826 -13.252 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.611 -13.921 -6.778 1.00 0.00 H new ATOM 752 N GLU A 48 7.502 -6.396 -5.820 1.00 0.00 N ATOM 753 CA GLU A 48 7.449 -5.732 -4.529 1.00 0.00 C ATOM 754 C GLU A 48 5.998 -5.451 -4.135 1.00 0.00 C ATOM 755 O GLU A 48 5.667 -5.419 -2.950 1.00 0.00 O ATOM 756 CB GLU A 48 8.273 -4.442 -4.541 1.00 0.00 C ATOM 757 CG GLU A 48 9.015 -4.253 -3.216 1.00 0.00 C ATOM 758 CD GLU A 48 8.053 -4.347 -2.030 1.00 0.00 C ATOM 759 OE1 GLU A 48 7.037 -3.619 -2.065 1.00 0.00 O ATOM 760 OE2 GLU A 48 8.355 -5.144 -1.116 1.00 0.00 O ATOM 0 H GLU A 48 7.956 -5.858 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 48 7.885 -6.397 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.989 -4.471 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.618 -3.589 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.792 -5.011 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.513 -3.283 -3.209 1.00 0.00 H new ATOM 768 N CYS A 49 5.170 -5.255 -5.150 1.00 0.00 N ATOM 769 CA CYS A 49 3.761 -4.979 -4.925 1.00 0.00 C ATOM 770 C CYS A 49 3.218 -6.020 -3.944 1.00 0.00 C ATOM 771 O CYS A 49 2.880 -5.691 -2.808 1.00 0.00 O ATOM 772 CB CYS A 49 2.971 -4.962 -6.235 1.00 0.00 C ATOM 773 SG CYS A 49 3.313 -3.528 -7.319 1.00 0.00 S ATOM 0 H CYS A 49 5.448 -5.282 -6.131 1.00 0.00 H new ATOM 0 HA CYS A 49 3.647 -3.983 -4.496 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.189 -5.877 -6.786 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.906 -4.977 -6.001 1.00 0.00 H new ATOM 778 N ASP A 50 3.151 -7.255 -4.419 1.00 0.00 N ATOM 779 CA ASP A 50 2.655 -8.347 -3.598 1.00 0.00 C ATOM 780 C ASP A 50 3.474 -8.423 -2.309 1.00 0.00 C ATOM 781 O ASP A 50 2.994 -8.921 -1.292 1.00 0.00 O ATOM 782 CB ASP A 50 2.789 -9.687 -4.324 1.00 0.00 C ATOM 783 CG ASP A 50 1.484 -10.468 -4.488 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.774 -10.607 -3.468 1.00 0.00 O ATOM 785 OD2 ASP A 50 1.225 -10.908 -5.629 1.00 0.00 O ATOM 0 H ASP A 50 3.432 -7.524 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 50 1.603 -8.157 -3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.213 -9.507 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.500 -10.308 -3.780 1.00 0.00 H new ATOM 791 N HIS A 51 4.698 -7.922 -2.393 1.00 0.00 N ATOM 792 CA HIS A 51 5.589 -7.927 -1.245 1.00 0.00 C ATOM 793 C HIS A 51 5.294 -6.713 -0.361 1.00 0.00 C ATOM 794 O HIS A 51 5.984 -6.481 0.631 1.00 0.00 O ATOM 795 CB HIS A 51 7.051 -7.993 -1.692 1.00 0.00 C ATOM 796 CG HIS A 51 7.973 -8.635 -0.684 1.00 0.00 C ATOM 797 ND1 HIS A 51 7.629 -9.769 0.031 1.00 0.00 N ATOM 798 CD2 HIS A 51 9.229 -8.292 -0.279 1.00 0.00 C ATOM 799 CE1 HIS A 51 8.640 -10.085 0.827 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.631 -9.168 0.634 1.00 0.00 N ATOM 0 H HIS A 51 5.093 -7.510 -3.238 1.00 0.00 H new ATOM 0 HA HIS A 51 5.412 -8.821 -0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.109 -8.549 -2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.403 -6.982 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.800 -7.450 -0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.673 -10.922 1.509 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.532 -9.157 1.112 1.00 0.00 H new ATOM 809 N TYR A 52 4.268 -5.972 -0.752 1.00 0.00 N ATOM 810 CA TYR A 52 3.873 -4.788 -0.007 1.00 0.00 C ATOM 811 C TYR A 52 2.505 -4.985 0.649 1.00 0.00 C ATOM 812 O TYR A 52 2.321 -4.655 1.820 1.00 0.00 O ATOM 813 CB TYR A 52 3.776 -3.658 -1.033 1.00 0.00 C ATOM 814 CG TYR A 52 3.707 -2.260 -0.415 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.806 -1.740 0.239 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.547 -1.519 -0.511 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.741 -0.425 0.821 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.482 -0.204 0.072 1.00 0.00 C ATOM 819 CZ TYR A 52 3.583 0.278 0.709 1.00 0.00 C ATOM 820 OH TYR A 52 3.522 1.521 1.259 1.00 0.00 O ATOM 0 H TYR A 52 3.698 -6.168 -1.575 1.00 0.00 H new ATOM 0 HA TYR A 52 4.592 -4.574 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.639 -3.708 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.891 -3.816 -1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.714 -2.320 0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.688 -1.925 -1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.593 -0.006 1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.580 0.386 0.005 1.00 0.00 H new ATOM 0 HH TYR A 52 4.380 1.734 1.681 1.00 0.00 H new ATOM 830 N VAL A 53 1.580 -5.520 -0.134 1.00 0.00 N ATOM 831 CA VAL A 53 0.234 -5.764 0.356 1.00 0.00 C ATOM 832 C VAL A 53 0.301 -6.666 1.590 1.00 0.00 C ATOM 833 O VAL A 53 -0.659 -6.751 2.354 1.00 0.00 O ATOM 834 CB VAL A 53 -0.633 -6.345 -0.762 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.406 -5.597 -2.077 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.376 -7.844 -0.933 1.00 0.00 C ATOM 0 H VAL A 53 1.736 -5.791 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.236 -4.829 0.661 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.677 -6.214 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.034 -6.030 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.663 -4.546 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.641 -5.681 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.005 -8.232 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.672 -8.007 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.612 -8.362 -0.003 1.00 0.00 H new ATOM 846 N ASN A 54 1.445 -7.317 1.747 1.00 0.00 N ATOM 847 CA ASN A 54 1.650 -8.210 2.875 1.00 0.00 C ATOM 848 C ASN A 54 3.041 -7.968 3.465 1.00 0.00 C ATOM 849 O ASN A 54 3.923 -8.817 3.352 1.00 0.00 O ATOM 850 CB ASN A 54 1.569 -9.674 2.440 1.00 0.00 C ATOM 851 CG ASN A 54 0.150 -10.220 2.614 1.00 0.00 C ATOM 852 OD1 ASN A 54 -0.685 -10.145 1.728 1.00 0.00 O ATOM 853 ND2 ASN A 54 -0.074 -10.773 3.803 1.00 0.00 N ATOM 0 H ASN A 54 2.239 -7.244 1.112 1.00 0.00 H new ATOM 0 HA ASN A 54 0.871 -8.009 3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.872 -9.764 1.397 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.267 -10.271 3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.990 -11.167 4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.670 -10.803 4.500 1.00 0.00 H new ATOM 860 N SER A 55 3.193 -6.805 4.081 1.00 0.00 N ATOM 861 CA SER A 55 4.461 -6.440 4.689 1.00 0.00 C ATOM 862 C SER A 55 4.416 -4.987 5.164 1.00 0.00 C ATOM 863 O SER A 55 5.014 -4.644 6.183 1.00 0.00 O ATOM 864 CB SER A 55 5.620 -6.643 3.710 1.00 0.00 C ATOM 865 OG SER A 55 6.162 -7.958 3.789 1.00 0.00 O ATOM 0 H SER A 55 2.459 -6.103 4.172 1.00 0.00 H new ATOM 0 HA SER A 55 4.628 -7.090 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.273 -6.454 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.403 -5.915 3.920 1.00 0.00 H new ATOM 0 HG SER A 55 5.503 -8.604 3.460 1.00 0.00 H new ATOM 871 N LYS A 56 3.700 -4.171 4.404 1.00 0.00 N ATOM 872 CA LYS A 56 3.568 -2.763 4.734 1.00 0.00 C ATOM 873 C LYS A 56 2.087 -2.381 4.741 1.00 0.00 C ATOM 874 O LYS A 56 1.746 -1.200 4.782 1.00 0.00 O ATOM 875 CB LYS A 56 4.419 -1.909 3.791 1.00 0.00 C ATOM 876 CG LYS A 56 5.911 -2.146 4.033 1.00 0.00 C ATOM 877 CD LYS A 56 6.382 -1.429 5.300 1.00 0.00 C ATOM 878 CE LYS A 56 7.733 -1.974 5.769 1.00 0.00 C ATOM 879 NZ LYS A 56 8.805 -0.984 5.520 1.00 0.00 N ATOM 0 H LYS A 56 3.205 -4.459 3.560 1.00 0.00 H new ATOM 0 HA LYS A 56 3.952 -2.570 5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.172 -2.147 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.186 -0.855 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.103 -3.215 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.483 -1.791 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.464 -0.359 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.641 -1.554 6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.687 -2.210 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.959 -2.903 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.715 -1.369 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.858 -0.779 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.596 -0.108 6.039 1.00 0.00 H new ATOM 893 N VAL A 57 1.245 -3.403 4.699 1.00 0.00 N ATOM 894 CA VAL A 57 -0.192 -3.190 4.700 1.00 0.00 C ATOM 895 C VAL A 57 -0.728 -3.355 6.123 1.00 0.00 C ATOM 896 O VAL A 57 -1.529 -2.545 6.587 1.00 0.00 O ATOM 897 CB VAL A 57 -0.862 -4.132 3.697 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.165 -4.698 4.262 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.104 -3.427 2.360 1.00 0.00 C ATOM 0 H VAL A 57 1.531 -4.382 4.664 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.427 -2.175 4.380 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.185 -4.967 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.620 -5.364 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.954 -5.254 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.851 -3.880 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.581 -4.118 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.752 -2.564 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.152 -3.096 1.946 1.00 0.00 H new ATOM 909 N ASP A 58 -0.263 -4.409 6.778 1.00 0.00 N ATOM 910 CA ASP A 58 -0.685 -4.691 8.139 1.00 0.00 C ATOM 911 C ASP A 58 -0.444 -3.455 9.009 1.00 0.00 C ATOM 912 O ASP A 58 -1.297 -3.081 9.812 1.00 0.00 O ATOM 913 CB ASP A 58 0.114 -5.852 8.735 1.00 0.00 C ATOM 914 CG ASP A 58 -0.691 -7.128 8.988 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.942 -7.847 7.997 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.038 -7.355 10.167 1.00 0.00 O ATOM 0 H ASP A 58 0.402 -5.078 6.391 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.742 -4.956 8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.939 -6.088 8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.554 -5.525 9.677 1.00 0.00 H new ATOM 922 N PRO A 59 0.754 -2.841 8.815 1.00 0.00 N ATOM 923 CA PRO A 59 1.118 -1.655 9.572 1.00 0.00 C ATOM 924 C PRO A 59 0.365 -0.425 9.062 1.00 0.00 C ATOM 925 O PRO A 59 -0.321 0.249 9.828 1.00 0.00 O ATOM 926 CB PRO A 59 2.625 -1.536 9.415 1.00 0.00 C ATOM 927 CG PRO A 59 2.986 -2.381 8.204 1.00 0.00 C ATOM 928 CD PRO A 59 1.789 -3.256 7.872 1.00 0.00 C ATOM 0 HA PRO A 59 0.844 -1.728 10.625 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.922 -0.497 9.269 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.140 -1.892 10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.240 -1.744 7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.861 -2.996 8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.466 -3.111 6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.028 -4.313 7.986 1.00 0.00 H new ATOM 936 N ILE A 60 0.518 -0.171 7.770 1.00 0.00 N ATOM 937 CA ILE A 60 -0.139 0.966 7.149 1.00 0.00 C ATOM 938 C ILE A 60 -1.604 1.007 7.590 1.00 0.00 C ATOM 939 O ILE A 60 -2.069 2.017 8.115 1.00 0.00 O ATOM 940 CB ILE A 60 0.045 0.927 5.630 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.444 1.404 5.235 1.00 0.00 C ATOM 942 CG2 ILE A 60 -1.053 1.725 4.924 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.585 1.488 3.714 1.00 0.00 C ATOM 0 H ILE A 60 1.087 -0.733 7.137 1.00 0.00 H new ATOM 0 HA ILE A 60 0.320 1.898 7.479 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.047 -0.108 5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.637 2.382 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.192 0.720 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.899 1.681 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.026 1.300 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.017 2.763 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.588 1.829 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.415 0.504 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.852 2.191 3.319 1.00 0.00 H new ATOM 955 N ILE A 61 -2.289 -0.104 7.360 1.00 0.00 N ATOM 956 CA ILE A 61 -3.691 -0.207 7.727 1.00 0.00 C ATOM 957 C ILE A 61 -3.828 -0.063 9.244 1.00 0.00 C ATOM 958 O ILE A 61 -4.901 0.271 9.744 1.00 0.00 O ATOM 959 CB ILE A 61 -4.295 -1.500 7.175 1.00 0.00 C ATOM 960 CG1 ILE A 61 -4.035 -1.629 5.673 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.785 -1.596 7.509 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.883 -2.748 5.064 1.00 0.00 C ATOM 0 H ILE A 61 -1.899 -0.940 6.924 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.264 0.603 7.276 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.802 -2.342 7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.263 -0.685 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.978 -1.833 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.189 -2.524 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.917 -1.583 8.591 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.312 -0.749 7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.679 -2.819 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.635 -3.695 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.940 -2.529 5.218 1.00 0.00 H new ATOM 974 N HIS A 62 -2.727 -0.321 9.933 1.00 0.00 N ATOM 975 CA HIS A 62 -2.711 -0.224 11.383 1.00 0.00 C ATOM 976 C HIS A 62 -2.935 1.230 11.802 1.00 0.00 C ATOM 977 O HIS A 62 -3.714 1.504 12.713 1.00 0.00 O ATOM 978 CB HIS A 62 -1.419 -0.814 11.953 1.00 0.00 C ATOM 979 CG HIS A 62 -0.418 0.223 12.403 1.00 0.00 C ATOM 980 ND1 HIS A 62 -0.686 1.141 13.403 1.00 0.00 N ATOM 981 CD2 HIS A 62 0.854 0.476 11.979 1.00 0.00 C ATOM 982 CE1 HIS A 62 0.382 1.907 13.565 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.335 1.494 12.682 1.00 0.00 N ATOM 0 H HIS A 62 -1.839 -0.597 9.514 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.526 -0.815 11.800 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.667 -1.456 12.798 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.956 -1.447 11.196 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.558 1.215 13.927 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.380 -0.061 11.203 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.481 2.717 14.273 1.00 0.00 H new ATOM 992 N GLU A 63 -2.237 2.124 11.117 1.00 0.00 N ATOM 993 CA GLU A 63 -2.349 3.543 11.407 1.00 0.00 C ATOM 994 C GLU A 63 -3.791 4.014 11.205 1.00 0.00 C ATOM 995 O GLU A 63 -4.429 4.493 12.141 1.00 0.00 O ATOM 996 CB GLU A 63 -1.381 4.357 10.547 1.00 0.00 C ATOM 997 CG GLU A 63 -0.299 5.012 11.408 1.00 0.00 C ATOM 998 CD GLU A 63 0.820 4.019 11.730 1.00 0.00 C ATOM 999 OE1 GLU A 63 1.094 3.170 10.855 1.00 0.00 O ATOM 1000 OE2 GLU A 63 1.375 4.132 12.844 1.00 0.00 O ATOM 0 H GLU A 63 -1.592 1.893 10.362 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.078 3.703 12.451 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.916 3.709 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.931 5.124 10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.114 5.875 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.740 5.382 12.334 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.263 3.861 9.976 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.617 4.264 9.638 1.00 0.00 C ATOM 1010 C LEU A 64 -6.606 3.506 10.527 1.00 0.00 C ATOM 1011 O LEU A 64 -7.767 3.896 10.641 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.873 4.083 8.141 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.771 4.588 7.207 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.381 3.516 6.188 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -5.183 5.898 6.531 1.00 0.00 C ATOM 0 H LEU A 64 -3.731 3.463 9.202 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.759 5.327 9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.030 3.022 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.801 4.595 7.887 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.886 4.799 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.596 3.901 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.017 2.632 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.252 3.250 5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.382 6.235 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.089 5.737 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.371 6.656 7.291 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.110 2.437 11.132 1.00 0.00 N ATOM 1028 CA GLU A 65 -6.936 1.621 12.006 1.00 0.00 C ATOM 1029 C GLU A 65 -7.161 2.334 13.341 1.00 0.00 C ATOM 1030 O GLU A 65 -8.207 2.172 13.967 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.311 0.241 12.220 1.00 0.00 C ATOM 1032 CG GLU A 65 -7.089 -0.836 11.462 1.00 0.00 C ATOM 1033 CD GLU A 65 -6.655 -2.236 11.901 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -5.431 -2.425 12.068 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -7.557 -3.087 12.059 1.00 0.00 O ATOM 0 H GLU A 65 -5.146 2.117 11.034 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.904 1.475 11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.274 0.251 11.883 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.298 0.005 13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.157 -0.710 11.639 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.927 -0.720 10.390 1.00 0.00 H new ATOM 1043 N GLY A 66 -6.161 3.109 13.738 1.00 0.00 N ATOM 1044 CA GLY A 66 -6.237 3.847 14.987 1.00 0.00 C ATOM 1045 C GLY A 66 -6.909 5.206 14.781 1.00 0.00 C ATOM 1046 O GLY A 66 -7.650 5.673 15.645 1.00 0.00 O ATOM 0 H GLY A 66 -5.295 3.241 13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.797 3.268 15.722 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.235 3.990 15.390 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.627 5.802 13.632 1.00 0.00 N ATOM 1051 CA GLY A 67 -7.195 7.098 13.301 1.00 0.00 C ATOM 1052 C GLY A 67 -6.140 8.017 12.683 1.00 0.00 C ATOM 1053 O GLY A 67 -6.065 9.197 13.021 1.00 0.00 O ATOM 0 H GLY A 67 -6.012 5.411 12.918 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.023 6.969 12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.604 7.560 14.200 1.00 0.00 H new ATOM 1057 N THR A 68 -5.350 7.441 11.788 1.00 0.00 N ATOM 1058 CA THR A 68 -4.303 8.195 11.120 1.00 0.00 C ATOM 1059 C THR A 68 -4.673 8.439 9.656 1.00 0.00 C ATOM 1060 O THR A 68 -5.365 7.628 9.043 1.00 0.00 O ATOM 1061 CB THR A 68 -2.988 7.433 11.295 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.533 7.818 12.589 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.892 7.932 10.351 1.00 0.00 C ATOM 0 H THR A 68 -5.414 6.462 11.510 1.00 0.00 H new ATOM 0 HA THR A 68 -4.184 9.184 11.562 1.00 0.00 H new ATOM 0 HB THR A 68 -3.159 6.370 11.123 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.685 7.368 12.785 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.980 7.358 10.516 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.217 7.807 9.318 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.697 8.987 10.545 1.00 0.00 H new ATOM 1071 N ALA A 69 -4.196 9.561 9.137 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.468 9.923 7.757 1.00 0.00 C ATOM 1073 C ALA A 69 -3.498 9.178 6.838 1.00 0.00 C ATOM 1074 O ALA A 69 -2.468 8.680 7.290 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.372 11.442 7.598 1.00 0.00 C ATOM 0 H ALA A 69 -3.622 10.232 9.648 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.479 9.630 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.576 11.713 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.102 11.923 8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.370 11.774 7.869 1.00 0.00 H new ATOM 1081 N PRO A 70 -3.871 9.124 5.531 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.045 8.448 4.545 1.00 0.00 C ATOM 1083 C PRO A 70 -1.813 9.285 4.195 1.00 0.00 C ATOM 1084 O PRO A 70 -0.944 8.835 3.450 1.00 0.00 O ATOM 1085 CB PRO A 70 -3.963 8.216 3.356 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.128 9.176 3.535 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.084 9.702 4.960 1.00 0.00 C ATOM 0 HA PRO A 70 -2.642 7.504 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.442 8.405 2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.309 7.183 3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.058 9.998 2.822 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.074 8.668 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.051 10.791 4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.969 9.400 5.521 1.00 0.00 H new ATOM 1095 N LYS A 71 -1.778 10.488 4.748 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.668 11.393 4.504 1.00 0.00 C ATOM 1097 C LYS A 71 0.179 11.509 5.773 1.00 0.00 C ATOM 1098 O LYS A 71 1.163 12.246 5.802 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.176 12.736 3.978 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.288 12.722 2.452 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.599 13.361 1.992 1.00 0.00 C ATOM 1102 CE LYS A 71 -3.758 12.366 2.090 1.00 0.00 C ATOM 1103 NZ LYS A 71 -4.559 12.380 0.845 1.00 0.00 N ATOM 0 H LYS A 71 -2.501 10.858 5.365 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.019 10.997 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.150 12.957 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.499 13.532 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.445 13.259 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.233 11.696 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.815 14.237 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.498 13.707 0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.370 11.363 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.392 12.619 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.341 11.700 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.944 13.334 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.955 12.117 0.041 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.236 10.771 6.792 1.00 0.00 N ATOM 1118 CA ASP A 72 0.472 10.782 8.061 1.00 0.00 C ATOM 1119 C ASP A 72 1.211 9.455 8.239 1.00 0.00 C ATOM 1120 O ASP A 72 2.208 9.387 8.957 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.500 10.943 9.232 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.516 12.332 9.872 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.589 12.891 10.044 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.633 12.804 10.176 1.00 0.00 O ATOM 0 H ASP A 72 -1.053 10.162 6.765 1.00 0.00 H new ATOM 0 HA ASP A 72 1.168 11.621 8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.506 10.708 8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.248 10.209 9.998 1.00 0.00 H new ATOM 1130 N VAL A 73 0.694 8.432 7.575 1.00 0.00 N ATOM 1131 CA VAL A 73 1.293 7.110 7.651 1.00 0.00 C ATOM 1132 C VAL A 73 2.633 7.119 6.913 1.00 0.00 C ATOM 1133 O VAL A 73 3.663 6.760 7.483 1.00 0.00 O ATOM 1134 CB VAL A 73 0.319 6.062 7.109 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.644 4.673 7.663 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.129 6.449 7.415 1.00 0.00 C ATOM 0 H VAL A 73 -0.133 8.492 6.982 1.00 0.00 H new ATOM 0 HA VAL A 73 1.495 6.841 8.688 1.00 0.00 H new ATOM 0 HB VAL A 73 0.434 6.026 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.063 3.947 7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.656 4.393 7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.571 4.689 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.801 5.687 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.265 6.527 8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.355 7.409 6.951 1.00 0.00 H new ATOM 1146 N CYS A 74 2.577 7.533 5.656 1.00 0.00 N ATOM 1147 CA CYS A 74 3.774 7.593 4.834 1.00 0.00 C ATOM 1148 C CYS A 74 4.650 8.740 5.343 1.00 0.00 C ATOM 1149 O CYS A 74 4.830 9.742 4.653 1.00 0.00 O ATOM 1150 CB CYS A 74 3.434 7.751 3.350 1.00 0.00 C ATOM 1151 SG CYS A 74 4.122 6.450 2.263 1.00 0.00 S ATOM 0 H CYS A 74 1.722 7.830 5.186 1.00 0.00 H new ATOM 0 HA CYS A 74 4.322 6.654 4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.350 7.762 3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.799 8.720 3.009 1.00 0.00 H new ATOM 1156 N THR A 75 5.170 8.554 6.547 1.00 0.00 N ATOM 1157 CA THR A 75 6.023 9.561 7.157 1.00 0.00 C ATOM 1158 C THR A 75 6.512 9.086 8.527 1.00 0.00 C ATOM 1159 O THR A 75 7.709 8.890 8.729 1.00 0.00 O ATOM 1160 CB THR A 75 5.239 10.873 7.213 1.00 0.00 C ATOM 1161 OG1 THR A 75 5.997 11.765 6.400 1.00 0.00 O ATOM 1162 CG2 THR A 75 5.271 11.516 8.601 1.00 0.00 C ATOM 0 H THR A 75 5.018 7.722 7.117 1.00 0.00 H new ATOM 0 HA THR A 75 6.923 9.729 6.566 1.00 0.00 H new ATOM 0 HB THR A 75 4.205 10.690 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.929 11.491 5.462 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.700 12.444 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.833 10.833 9.329 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.303 11.730 8.879 1.00 0.00 H new ATOM 1170 N LYS A 76 5.560 8.916 9.433 1.00 0.00 N ATOM 1171 CA LYS A 76 5.879 8.468 10.778 1.00 0.00 C ATOM 1172 C LYS A 76 6.209 6.975 10.749 1.00 0.00 C ATOM 1173 O LYS A 76 6.936 6.479 11.609 1.00 0.00 O ATOM 1174 CB LYS A 76 4.749 8.829 11.745 1.00 0.00 C ATOM 1175 CG LYS A 76 4.675 10.342 11.961 1.00 0.00 C ATOM 1176 CD LYS A 76 3.223 10.824 11.968 1.00 0.00 C ATOM 1177 CE LYS A 76 3.087 12.143 12.732 1.00 0.00 C ATOM 1178 NZ LYS A 76 2.431 11.919 14.039 1.00 0.00 N ATOM 0 H LYS A 76 4.568 9.080 9.262 1.00 0.00 H new ATOM 0 HA LYS A 76 6.764 8.983 11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.799 8.467 11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.909 8.329 12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.153 10.602 12.906 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.228 10.853 11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.875 10.955 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.587 10.067 12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.072 12.586 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.506 12.853 12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.346 12.824 14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.484 11.517 13.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.001 11.258 14.605 1.00 0.00 H new ATOM 1192 N LEU A 77 5.660 6.299 9.750 1.00 0.00 N ATOM 1193 CA LEU A 77 5.888 4.872 9.598 1.00 0.00 C ATOM 1194 C LEU A 77 7.224 4.646 8.888 1.00 0.00 C ATOM 1195 O LEU A 77 7.534 3.527 8.482 1.00 0.00 O ATOM 1196 CB LEU A 77 4.699 4.212 8.895 1.00 0.00 C ATOM 1197 CG LEU A 77 3.466 3.953 9.763 1.00 0.00 C ATOM 1198 CD1 LEU A 77 3.793 2.989 10.906 1.00 0.00 C ATOM 1199 CD2 LEU A 77 2.869 5.265 10.274 1.00 0.00 C ATOM 0 H LEU A 77 5.058 6.713 9.038 1.00 0.00 H new ATOM 0 HA LEU A 77 5.960 4.392 10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.403 4.842 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.031 3.261 8.478 1.00 0.00 H new ATOM 0 HG LEU A 77 2.708 3.474 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.900 2.822 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.136 2.040 10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.576 3.418 11.531 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.994 5.052 10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.611 5.794 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.575 5.885 9.427 1.00 0.00 H new ATOM 1211 N ASN A 78 7.981 5.726 8.761 1.00 0.00 N ATOM 1212 CA ASN A 78 9.277 5.660 8.108 1.00 0.00 C ATOM 1213 C ASN A 78 9.189 4.720 6.904 1.00 0.00 C ATOM 1214 O ASN A 78 10.158 4.038 6.573 1.00 0.00 O ATOM 1215 CB ASN A 78 10.345 5.113 9.058 1.00 0.00 C ATOM 1216 CG ASN A 78 10.439 5.965 10.325 1.00 0.00 C ATOM 1217 OD1 ASN A 78 10.215 7.164 10.317 1.00 0.00 O ATOM 1218 ND2 ASN A 78 10.783 5.281 11.413 1.00 0.00 N ATOM 0 H ASN A 78 7.721 6.652 9.100 1.00 0.00 H new ATOM 0 HA ASN A 78 9.551 6.669 7.799 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.107 4.083 9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.311 5.096 8.554 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.873 5.760 12.309 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.957 4.278 11.351 1.00 0.00 H new ATOM 1225 N GLU A 79 8.019 4.713 6.283 1.00 0.00 N ATOM 1226 CA GLU A 79 7.792 3.868 5.123 1.00 0.00 C ATOM 1227 C GLU A 79 8.022 4.661 3.835 1.00 0.00 C ATOM 1228 O GLU A 79 8.612 4.151 2.885 1.00 0.00 O ATOM 1229 CB GLU A 79 6.386 3.264 5.152 1.00 0.00 C ATOM 1230 CG GLU A 79 5.327 4.350 5.353 1.00 0.00 C ATOM 1231 CD GLU A 79 3.919 3.783 5.162 1.00 0.00 C ATOM 1232 OE1 GLU A 79 3.783 2.546 5.281 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.009 4.600 4.901 1.00 0.00 O ATOM 0 H GLU A 79 7.218 5.279 6.561 1.00 0.00 H new ATOM 0 HA GLU A 79 8.506 3.045 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.195 2.733 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.318 2.531 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.420 4.773 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.495 5.162 4.646 1.00 0.00 H new