USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 72 ASN : amide:sc= -0.0439 X(o=-0.66,f=-0.7) USER MOD Set 1.2: A 73 SER OG : rot 30:sc= -0.62 USER MOD Set 2.1: A 7 SER OG : rot -139:sc= 0.838 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 171:sc=0.000778 (180deg=0) USER MOD Set 3.1: A 55 ASN : amide:sc= 1.54 K(o=2.7,f=-9.6!) USER MOD Set 3.2: A 58 THR OG1 : rot -170:sc= -0.279 USER MOD Set 3.3: A 62 TYR OH : rot 51:sc= 1.48 USER MOD Set 4.1: A 32 CYS SG : rot 180:sc= -0.541 USER MOD Set 4.2: A 36 LYS NZ :NH3+ -178:sc= 0.571 (180deg=0.563) USER MOD Single : A 8 CYS SG : rot 28:sc= 0.0305 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0.238 USER MOD Single : A 12 LYS NZ :NH3+ 137:sc= 0.435 (180deg=-0.528) USER MOD Single : A 14 SER OG : rot -166:sc= -1.72! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 2.18 (180deg=1.66) USER MOD Single : A 18 ASN : amide:sc=-2.05e-05 K(o=-2.1e-05,f=-0.91) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 28 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-3.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= -0.304 (180deg=-0.946!) USER MOD Single : A 37 GLN : amide:sc= -1.4 K(o=-1.4,f=-6.2!) USER MOD Single : A 39 MET CE :methyl 167:sc= -0.111 (180deg=-0.448) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 21:sc= 1.27 USER MOD Single : A 52 GLN : amide:sc= 0.519 K(o=0.52,f=-6.4!) USER MOD Single : A 54 THR OG1 : rot -160:sc= -0.49 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc=-0.00444 (180deg=-0.106) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 26:sc= 0.978 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.147 2.976 -2.865 1.00 0.00 N ATOM 79 CA SER A 7 -13.282 1.954 -2.420 1.00 0.00 C ATOM 80 C SER A 7 -12.076 2.574 -1.772 1.00 0.00 C ATOM 81 O SER A 7 -11.360 3.348 -2.401 1.00 0.00 O ATOM 82 CB SER A 7 -12.900 1.136 -3.626 1.00 0.00 C ATOM 83 OG SER A 7 -14.075 0.659 -4.265 1.00 0.00 O ATOM 0 HA SER A 7 -13.761 1.312 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.316 1.741 -4.319 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.270 0.298 -3.326 1.00 0.00 H new ATOM 0 HG SER A 7 -13.941 -0.270 -4.545 1.00 0.00 H new ATOM 89 N CYS A 8 -11.874 2.278 -0.526 1.00 0.00 N ATOM 90 CA CYS A 8 -10.788 2.844 0.193 1.00 0.00 C ATOM 91 C CYS A 8 -10.151 1.810 1.090 1.00 0.00 C ATOM 92 O CYS A 8 -10.850 1.048 1.751 1.00 0.00 O ATOM 93 CB CYS A 8 -11.282 4.049 0.999 1.00 0.00 C ATOM 94 SG CYS A 8 -12.597 3.671 2.185 1.00 0.00 S ATOM 0 H CYS A 8 -12.457 1.640 0.015 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.027 3.183 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.438 4.481 1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.642 4.810 0.307 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.488 2.436 2.575 1.00 0.00 H new ATOM 100 N VAL A 9 -8.846 1.771 1.097 1.00 0.00 N ATOM 101 CA VAL A 9 -8.121 0.860 1.952 1.00 0.00 C ATOM 102 C VAL A 9 -7.495 1.646 3.079 1.00 0.00 C ATOM 103 O VAL A 9 -6.807 2.653 2.834 1.00 0.00 O ATOM 104 CB VAL A 9 -6.988 0.066 1.200 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.141 -0.734 2.177 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.556 -0.883 0.158 1.00 0.00 C ATOM 0 H VAL A 9 -8.255 2.365 0.515 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.838 0.126 2.319 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.370 0.811 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.366 -1.272 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.676 -0.057 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.773 -1.446 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.740 -1.410 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.213 -1.605 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.122 -0.316 -0.581 1.00 0.00 H new ATOM 116 N HIS A 10 -7.792 1.234 4.289 1.00 0.00 N ATOM 117 CA HIS A 10 -7.190 1.781 5.467 1.00 0.00 C ATOM 118 C HIS A 10 -5.811 1.218 5.602 1.00 0.00 C ATOM 119 O HIS A 10 -5.635 0.022 5.881 1.00 0.00 O ATOM 120 CB HIS A 10 -8.006 1.456 6.724 1.00 0.00 C ATOM 121 CG HIS A 10 -9.292 2.212 6.851 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.415 3.407 7.525 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.530 1.921 6.382 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.686 3.794 7.451 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.410 2.929 6.763 1.00 0.00 N ATOM 0 H HIS A 10 -8.471 0.497 4.478 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.156 2.866 5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.226 0.389 6.731 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.392 1.661 7.601 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.791 1.046 5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.075 4.698 7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.407 2.988 6.555 1.00 0.00 H new ATOM 133 N TYR A 11 -4.849 2.033 5.379 1.00 0.00 N ATOM 134 CA TYR A 11 -3.494 1.604 5.441 1.00 0.00 C ATOM 135 C TYR A 11 -2.743 2.514 6.363 1.00 0.00 C ATOM 136 O TYR A 11 -2.935 3.723 6.329 1.00 0.00 O ATOM 137 CB TYR A 11 -2.849 1.598 4.027 1.00 0.00 C ATOM 138 CG TYR A 11 -2.635 2.974 3.389 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.645 3.602 2.685 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.410 3.636 3.505 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.450 4.846 2.117 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.211 4.878 2.942 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.238 5.479 2.249 1.00 0.00 C ATOM 144 OH TYR A 11 -2.051 6.719 1.684 1.00 0.00 O ATOM 0 H TYR A 11 -4.974 3.019 5.148 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.454 0.583 5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.885 1.093 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.478 1.004 3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.602 3.113 2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.603 3.165 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.250 5.321 1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.258 5.376 3.043 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.140 7.029 1.869 1.00 0.00 H new ATOM 154 N LYS A 12 -1.941 1.978 7.213 1.00 0.00 N ATOM 155 CA LYS A 12 -1.133 2.836 8.014 1.00 0.00 C ATOM 156 C LYS A 12 0.296 2.565 7.641 1.00 0.00 C ATOM 157 O LYS A 12 0.680 1.415 7.441 1.00 0.00 O ATOM 158 CB LYS A 12 -1.382 2.684 9.538 1.00 0.00 C ATOM 159 CG LYS A 12 -0.430 1.767 10.275 1.00 0.00 C ATOM 160 CD LYS A 12 -0.712 1.752 11.764 1.00 0.00 C ATOM 161 CE LYS A 12 0.436 1.108 12.518 1.00 0.00 C ATOM 162 NZ LYS A 12 1.678 1.922 12.421 1.00 0.00 N ATOM 0 H LYS A 12 -1.825 0.977 7.372 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.397 3.874 7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.331 3.672 9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.397 2.316 9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.517 0.756 9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.596 2.091 10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.863 2.771 12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.635 1.206 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.161 0.985 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.621 0.111 12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.139 1.964 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.325 1.487 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.438 2.885 12.110 1.00 0.00 H new ATOM 176 N PHE A 13 1.051 3.588 7.485 1.00 0.00 N ATOM 177 CA PHE A 13 2.418 3.443 7.086 1.00 0.00 C ATOM 178 C PHE A 13 3.246 3.292 8.347 1.00 0.00 C ATOM 179 O PHE A 13 2.771 3.640 9.419 1.00 0.00 O ATOM 180 CB PHE A 13 2.841 4.707 6.330 1.00 0.00 C ATOM 181 CG PHE A 13 3.847 4.483 5.249 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.179 4.245 5.533 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.445 4.514 3.933 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.083 4.033 4.524 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.342 4.309 2.921 1.00 0.00 C ATOM 186 CZ PHE A 13 5.664 4.065 3.215 1.00 0.00 C ATOM 0 H PHE A 13 0.749 4.552 7.628 1.00 0.00 H new ATOM 0 HA PHE A 13 2.557 2.577 6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.954 5.166 5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.249 5.421 7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.511 4.226 6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.408 4.703 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.120 3.842 4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.013 4.339 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.373 3.899 2.417 1.00 0.00 H new ATOM 196 N SER A 14 4.447 2.771 8.239 1.00 0.00 N ATOM 197 CA SER A 14 5.360 2.687 9.368 1.00 0.00 C ATOM 198 C SER A 14 5.627 4.098 9.940 1.00 0.00 C ATOM 199 O SER A 14 5.814 4.281 11.148 1.00 0.00 O ATOM 200 CB SER A 14 6.657 2.045 8.900 1.00 0.00 C ATOM 201 OG SER A 14 6.379 0.823 8.235 1.00 0.00 O ATOM 0 H SER A 14 4.823 2.393 7.370 1.00 0.00 H new ATOM 0 HA SER A 14 4.920 2.080 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.186 2.722 8.229 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.312 1.864 9.753 1.00 0.00 H new ATOM 0 HG SER A 14 7.208 0.310 8.133 1.00 0.00 H new ATOM 207 N SER A 15 5.570 5.087 9.065 1.00 0.00 N ATOM 208 CA SER A 15 5.792 6.455 9.425 1.00 0.00 C ATOM 209 C SER A 15 4.492 7.130 9.932 1.00 0.00 C ATOM 210 O SER A 15 4.492 8.314 10.276 1.00 0.00 O ATOM 211 CB SER A 15 6.363 7.177 8.214 1.00 0.00 C ATOM 212 OG SER A 15 7.480 6.449 7.707 1.00 0.00 O ATOM 0 H SER A 15 5.365 4.949 8.075 1.00 0.00 H new ATOM 0 HA SER A 15 6.501 6.507 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.599 7.275 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.669 8.186 8.490 1.00 0.00 H new ATOM 0 HG SER A 15 7.846 6.914 6.926 1.00 0.00 H new ATOM 218 N LYS A 16 3.400 6.381 9.997 1.00 0.00 N ATOM 219 CA LYS A 16 2.146 6.904 10.520 1.00 0.00 C ATOM 220 C LYS A 16 1.608 6.053 11.654 1.00 0.00 C ATOM 221 O LYS A 16 1.651 4.820 11.624 1.00 0.00 O ATOM 222 CB LYS A 16 1.048 7.147 9.449 1.00 0.00 C ATOM 223 CG LYS A 16 1.064 8.552 8.812 1.00 0.00 C ATOM 224 CD LYS A 16 2.169 8.754 7.802 1.00 0.00 C ATOM 225 CE LYS A 16 1.839 8.097 6.475 1.00 0.00 C ATOM 226 NZ LYS A 16 0.668 8.710 5.809 1.00 0.00 N ATOM 0 H LYS A 16 3.357 5.408 9.694 1.00 0.00 H new ATOM 0 HA LYS A 16 2.405 7.889 10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.160 6.404 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.072 6.982 9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.105 8.731 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.166 9.297 9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.333 9.821 7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.099 8.341 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.704 8.166 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.645 7.037 6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.558 8.305 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.188 8.519 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.810 9.738 5.734 1.00 0.00 H new ATOM 240 N LEU A 17 1.120 6.717 12.649 1.00 0.00 N ATOM 241 CA LEU A 17 0.560 6.072 13.798 1.00 0.00 C ATOM 242 C LEU A 17 -0.904 5.749 13.538 1.00 0.00 C ATOM 243 O LEU A 17 -1.449 4.805 14.100 1.00 0.00 O ATOM 244 CB LEU A 17 0.701 6.984 15.019 1.00 0.00 C ATOM 245 CG LEU A 17 2.131 7.423 15.374 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.114 8.371 16.559 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.016 6.217 15.669 1.00 0.00 C ATOM 0 H LEU A 17 1.097 7.736 12.691 1.00 0.00 H new ATOM 0 HA LEU A 17 1.094 5.142 13.994 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.100 7.877 14.851 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.276 6.471 15.881 1.00 0.00 H new ATOM 0 HG LEU A 17 2.549 7.946 14.514 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.134 8.673 16.798 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.523 9.253 16.311 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.673 7.869 17.420 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.022 6.556 15.917 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.603 5.660 16.510 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.057 5.572 14.791 1.00 0.00 H new ATOM 259 N ASN A 18 -1.528 6.532 12.676 1.00 0.00 N ATOM 260 CA ASN A 18 -2.936 6.334 12.322 1.00 0.00 C ATOM 261 C ASN A 18 -3.063 5.840 10.894 1.00 0.00 C ATOM 262 O ASN A 18 -2.076 5.827 10.141 1.00 0.00 O ATOM 263 CB ASN A 18 -3.771 7.614 12.508 1.00 0.00 C ATOM 264 CG ASN A 18 -3.945 8.030 13.955 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.937 7.200 14.861 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.131 9.306 14.185 1.00 0.00 N ATOM 0 H ASN A 18 -1.084 7.318 12.201 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.330 5.580 13.004 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.296 8.428 11.961 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.754 7.462 12.063 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.275 9.637 15.139 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.132 9.969 13.410 1.00 0.00 H new ATOM 273 N TYR A 19 -4.266 5.470 10.509 1.00 0.00 N ATOM 274 CA TYR A 19 -4.527 4.916 9.194 1.00 0.00 C ATOM 275 C TYR A 19 -4.917 5.984 8.195 1.00 0.00 C ATOM 276 O TYR A 19 -5.661 6.912 8.511 1.00 0.00 O ATOM 277 CB TYR A 19 -5.638 3.855 9.252 1.00 0.00 C ATOM 278 CG TYR A 19 -5.273 2.578 9.987 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.323 2.499 11.374 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.886 1.449 9.285 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.996 1.330 12.035 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.558 0.278 9.938 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.611 0.222 11.310 1.00 0.00 C ATOM 284 OH TYR A 19 -4.286 -0.949 11.961 1.00 0.00 O ATOM 0 H TYR A 19 -5.094 5.545 11.100 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.597 4.454 8.864 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.513 4.294 9.731 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.928 3.599 8.233 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.622 3.366 11.945 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.840 1.485 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.042 1.285 13.113 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.260 -0.592 9.372 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.038 -1.631 11.303 1.00 0.00 H new ATOM 294 N ASP A 20 -4.410 5.846 7.014 1.00 0.00 N ATOM 295 CA ASP A 20 -4.767 6.673 5.883 1.00 0.00 C ATOM 296 C ASP A 20 -5.692 5.851 5.019 1.00 0.00 C ATOM 297 O ASP A 20 -5.894 4.663 5.295 1.00 0.00 O ATOM 298 CB ASP A 20 -3.529 7.067 5.046 1.00 0.00 C ATOM 299 CG ASP A 20 -2.676 8.182 5.621 1.00 0.00 C ATOM 300 OD1 ASP A 20 -1.784 7.922 6.467 1.00 0.00 O ATOM 301 OD2 ASP A 20 -2.845 9.340 5.183 1.00 0.00 O ATOM 0 H ASP A 20 -3.713 5.135 6.791 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.232 7.593 6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.903 6.184 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.864 7.366 4.053 1.00 0.00 H new ATOM 306 N THR A 21 -6.222 6.425 3.979 1.00 0.00 N ATOM 307 CA THR A 21 -7.103 5.716 3.107 1.00 0.00 C ATOM 308 C THR A 21 -6.779 6.039 1.700 1.00 0.00 C ATOM 309 O THR A 21 -6.572 7.208 1.355 1.00 0.00 O ATOM 310 CB THR A 21 -8.587 6.020 3.377 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.780 7.419 3.671 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.143 5.146 4.476 1.00 0.00 C ATOM 0 H THR A 21 -6.054 7.396 3.714 1.00 0.00 H new ATOM 0 HA THR A 21 -6.953 4.654 3.299 1.00 0.00 H new ATOM 0 HB THR A 21 -9.143 5.787 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.730 7.590 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.193 5.389 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.054 4.099 4.188 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.584 5.318 5.396 1.00 0.00 H new ATOM 320 N VAL A 22 -6.656 5.043 0.903 1.00 0.00 N ATOM 321 CA VAL A 22 -6.422 5.254 -0.476 1.00 0.00 C ATOM 322 C VAL A 22 -7.670 4.863 -1.238 1.00 0.00 C ATOM 323 O VAL A 22 -8.223 3.780 -1.016 1.00 0.00 O ATOM 324 CB VAL A 22 -5.156 4.501 -0.991 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.310 2.979 -1.017 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.702 5.065 -2.316 1.00 0.00 C ATOM 0 H VAL A 22 -6.714 4.065 1.186 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.210 6.310 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.366 4.680 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.390 2.526 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.514 2.617 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.136 2.708 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.818 4.526 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.500 4.956 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.460 6.121 -2.198 1.00 0.00 H new ATOM 336 N THR A 23 -8.171 5.764 -2.026 1.00 0.00 N ATOM 337 CA THR A 23 -9.323 5.501 -2.814 1.00 0.00 C ATOM 338 C THR A 23 -8.933 4.966 -4.162 1.00 0.00 C ATOM 339 O THR A 23 -7.915 5.381 -4.732 1.00 0.00 O ATOM 340 CB THR A 23 -10.212 6.745 -2.937 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.396 7.917 -3.131 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.067 6.912 -1.695 1.00 0.00 C ATOM 0 H THR A 23 -7.788 6.703 -2.137 1.00 0.00 H new ATOM 0 HA THR A 23 -9.911 4.735 -2.308 1.00 0.00 H new ATOM 0 HB THR A 23 -10.868 6.618 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.971 8.707 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.691 7.799 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.702 6.035 -1.569 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.423 7.022 -0.822 1.00 0.00 H new ATOM 350 N PHE A 24 -9.686 4.023 -4.634 1.00 0.00 N ATOM 351 CA PHE A 24 -9.428 3.388 -5.890 1.00 0.00 C ATOM 352 C PHE A 24 -10.738 2.934 -6.474 1.00 0.00 C ATOM 353 O PHE A 24 -11.779 3.046 -5.819 1.00 0.00 O ATOM 354 CB PHE A 24 -8.475 2.185 -5.692 1.00 0.00 C ATOM 355 CG PHE A 24 -9.007 1.117 -4.762 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.956 1.291 -3.391 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.562 -0.052 -5.257 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.443 0.334 -2.549 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.047 -1.008 -4.408 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.985 -0.814 -3.056 1.00 0.00 C ATOM 0 H PHE A 24 -10.510 3.666 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.947 4.090 -6.572 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.270 1.735 -6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.525 2.549 -5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.526 2.194 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.612 -0.210 -6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.400 0.484 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.478 -1.915 -4.805 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.366 -1.571 -2.386 1.00 0.00 H new ATOM 370 N ASP A 25 -10.697 2.439 -7.675 1.00 0.00 N ATOM 371 CA ASP A 25 -11.860 1.932 -8.316 1.00 0.00 C ATOM 372 C ASP A 25 -11.765 0.443 -8.347 1.00 0.00 C ATOM 373 O ASP A 25 -10.670 -0.107 -8.561 1.00 0.00 O ATOM 374 CB ASP A 25 -11.967 2.472 -9.729 1.00 0.00 C ATOM 375 CG ASP A 25 -12.094 3.966 -9.773 1.00 0.00 C ATOM 376 OD1 ASP A 25 -13.115 4.508 -9.334 1.00 0.00 O ATOM 377 OD2 ASP A 25 -11.153 4.646 -10.232 1.00 0.00 O ATOM 0 H ASP A 25 -9.847 2.378 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.748 2.244 -7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.086 2.170 -10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.831 2.024 -10.220 1.00 0.00 H new ATOM 382 N GLY A 26 -12.864 -0.213 -8.132 1.00 0.00 N ATOM 383 CA GLY A 26 -12.884 -1.647 -8.096 1.00 0.00 C ATOM 384 C GLY A 26 -13.117 -2.130 -6.692 1.00 0.00 C ATOM 385 O GLY A 26 -13.352 -1.327 -5.793 1.00 0.00 O ATOM 0 H GLY A 26 -13.771 0.227 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.669 -2.023 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.939 -2.040 -8.471 1.00 0.00 H new ATOM 389 N LEU A 27 -13.062 -3.406 -6.486 1.00 0.00 N ATOM 390 CA LEU A 27 -13.265 -3.956 -5.164 1.00 0.00 C ATOM 391 C LEU A 27 -11.901 -4.025 -4.490 1.00 0.00 C ATOM 392 O LEU A 27 -11.735 -3.705 -3.302 1.00 0.00 O ATOM 393 CB LEU A 27 -13.868 -5.368 -5.274 1.00 0.00 C ATOM 394 CG LEU A 27 -14.702 -5.907 -4.085 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.060 -7.356 -4.317 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.015 -5.737 -2.730 1.00 0.00 C ATOM 0 H LEU A 27 -12.878 -4.098 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.951 -3.336 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.501 -5.391 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.049 -6.066 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.608 -5.303 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.646 -7.725 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.644 -7.444 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.148 -7.946 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.656 -6.136 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.067 -6.275 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.831 -4.679 -2.545 1.00 0.00 H new ATOM 408 N HIS A 28 -10.933 -4.413 -5.255 1.00 0.00 N ATOM 409 CA HIS A 28 -9.596 -4.567 -4.770 1.00 0.00 C ATOM 410 C HIS A 28 -8.600 -3.950 -5.674 1.00 0.00 C ATOM 411 O HIS A 28 -8.848 -3.768 -6.870 1.00 0.00 O ATOM 412 CB HIS A 28 -9.234 -6.025 -4.438 1.00 0.00 C ATOM 413 CG HIS A 28 -9.751 -7.070 -5.371 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.383 -8.203 -4.929 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.708 -7.161 -6.720 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.710 -8.938 -5.990 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.318 -8.348 -7.116 1.00 0.00 N ATOM 0 H HIS A 28 -11.047 -4.635 -6.244 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.562 -4.023 -3.826 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.148 -6.107 -4.403 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.603 -6.249 -3.437 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.270 -6.430 -7.384 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.225 -9.886 -5.943 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.439 -8.693 -8.068 1.00 0.00 H new ATOM 425 N ILE A 29 -7.496 -3.607 -5.104 1.00 0.00 N ATOM 426 CA ILE A 29 -6.451 -2.987 -5.813 1.00 0.00 C ATOM 427 C ILE A 29 -5.179 -3.810 -5.714 1.00 0.00 C ATOM 428 O ILE A 29 -4.771 -4.215 -4.626 1.00 0.00 O ATOM 429 CB ILE A 29 -6.241 -1.505 -5.353 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.051 -0.877 -6.055 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.084 -1.398 -3.833 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.971 0.630 -5.919 1.00 0.00 C ATOM 0 H ILE A 29 -7.299 -3.756 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.730 -2.943 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.138 -0.953 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.136 -1.315 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.092 -1.133 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.940 -0.354 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.980 -1.783 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.220 -1.981 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.092 0.997 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.867 1.082 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.896 0.897 -4.865 1.00 0.00 H new ATOM 444 N SER A 30 -4.616 -4.118 -6.858 1.00 0.00 N ATOM 445 CA SER A 30 -3.375 -4.839 -6.948 1.00 0.00 C ATOM 446 C SER A 30 -2.273 -4.046 -6.250 1.00 0.00 C ATOM 447 O SER A 30 -2.288 -2.816 -6.250 1.00 0.00 O ATOM 448 CB SER A 30 -3.014 -5.039 -8.413 1.00 0.00 C ATOM 449 OG SER A 30 -4.118 -5.567 -9.144 1.00 0.00 O ATOM 0 H SER A 30 -5.015 -3.870 -7.763 1.00 0.00 H new ATOM 0 HA SER A 30 -3.480 -5.810 -6.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.706 -4.088 -8.848 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.163 -5.716 -8.492 1.00 0.00 H new ATOM 0 HG SER A 30 -3.862 -5.685 -10.083 1.00 0.00 H new ATOM 455 N LEU A 31 -1.349 -4.746 -5.664 1.00 0.00 N ATOM 456 CA LEU A 31 -0.268 -4.172 -4.917 1.00 0.00 C ATOM 457 C LEU A 31 0.564 -3.238 -5.776 1.00 0.00 C ATOM 458 O LEU A 31 1.021 -2.220 -5.299 1.00 0.00 O ATOM 459 CB LEU A 31 0.600 -5.264 -4.316 1.00 0.00 C ATOM 460 CG LEU A 31 1.721 -4.779 -3.424 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.174 -4.102 -2.180 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.647 -5.898 -3.063 1.00 0.00 C ATOM 0 H LEU A 31 -1.325 -5.765 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.697 -3.582 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.036 -5.936 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.031 -5.851 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 31 2.294 -4.040 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.001 -3.763 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.564 -3.247 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.563 -4.810 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.443 -5.519 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.092 -6.673 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.081 -6.318 -3.970 1.00 0.00 H new ATOM 474 N CYS A 32 0.769 -3.602 -7.034 1.00 0.00 N ATOM 475 CA CYS A 32 1.463 -2.734 -7.978 1.00 0.00 C ATOM 476 C CYS A 32 0.752 -1.393 -8.031 1.00 0.00 C ATOM 477 O CYS A 32 1.358 -0.349 -7.859 1.00 0.00 O ATOM 478 CB CYS A 32 1.406 -3.331 -9.387 1.00 0.00 C ATOM 479 SG CYS A 32 2.514 -2.543 -10.576 1.00 0.00 S ATOM 0 H CYS A 32 0.465 -4.493 -7.426 1.00 0.00 H new ATOM 0 HA CYS A 32 2.498 -2.626 -7.654 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.650 -4.392 -9.329 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.384 -3.259 -9.758 1.00 0.00 H new ATOM 0 HG CYS A 32 2.391 -3.122 -11.734 1.00 0.00 H new ATOM 485 N ASP A 33 -0.548 -1.455 -8.145 1.00 0.00 N ATOM 486 CA ASP A 33 -1.364 -0.280 -8.280 1.00 0.00 C ATOM 487 C ASP A 33 -1.358 0.510 -7.002 1.00 0.00 C ATOM 488 O ASP A 33 -1.206 1.728 -7.019 1.00 0.00 O ATOM 489 CB ASP A 33 -2.792 -0.659 -8.696 1.00 0.00 C ATOM 490 CG ASP A 33 -2.862 -1.240 -10.081 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.800 -0.476 -11.069 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.941 -2.468 -10.216 1.00 0.00 O ATOM 0 H ASP A 33 -1.073 -2.329 -8.147 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.946 0.349 -9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.193 -1.380 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.427 0.226 -8.646 1.00 0.00 H new ATOM 497 N LEU A 34 -1.449 -0.196 -5.905 1.00 0.00 N ATOM 498 CA LEU A 34 -1.487 0.405 -4.592 1.00 0.00 C ATOM 499 C LEU A 34 -0.147 1.062 -4.219 1.00 0.00 C ATOM 500 O LEU A 34 -0.125 2.219 -3.785 1.00 0.00 O ATOM 501 CB LEU A 34 -1.977 -0.647 -3.553 1.00 0.00 C ATOM 502 CG LEU A 34 -1.971 -0.264 -2.062 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.017 -1.077 -1.315 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.612 -0.563 -1.453 1.00 0.00 C ATOM 0 H LEU A 34 -1.499 -1.215 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.206 1.224 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.996 -0.926 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.361 -1.539 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.191 0.800 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.007 -0.801 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.003 -0.875 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.792 -2.139 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.618 -0.289 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.396 -1.627 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.154 0.012 -1.973 1.00 0.00 H new ATOM 516 N LYS A 35 0.958 0.357 -4.441 1.00 0.00 N ATOM 517 CA LYS A 35 2.274 0.876 -4.081 1.00 0.00 C ATOM 518 C LYS A 35 2.616 2.100 -4.879 1.00 0.00 C ATOM 519 O LYS A 35 3.099 3.071 -4.328 1.00 0.00 O ATOM 520 CB LYS A 35 3.385 -0.153 -4.252 1.00 0.00 C ATOM 521 CG LYS A 35 3.277 -1.368 -3.358 1.00 0.00 C ATOM 522 CD LYS A 35 4.464 -2.311 -3.543 1.00 0.00 C ATOM 523 CE LYS A 35 4.598 -2.837 -4.954 1.00 0.00 C ATOM 524 NZ LYS A 35 5.758 -3.748 -5.092 1.00 0.00 N ATOM 0 H LYS A 35 0.969 -0.570 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 35 2.208 1.131 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.395 -0.485 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.342 0.334 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.223 -1.050 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.351 -1.900 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.380 -1.788 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.361 -3.152 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.686 -3.364 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.708 -2.001 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.419 -3.364 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.242 -3.835 -4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.429 -4.685 -5.400 1.00 0.00 H new ATOM 538 N LYS A 36 2.326 2.064 -6.166 1.00 0.00 N ATOM 539 CA LYS A 36 2.619 3.182 -7.048 1.00 0.00 C ATOM 540 C LYS A 36 1.860 4.439 -6.613 1.00 0.00 C ATOM 541 O LYS A 36 2.403 5.552 -6.660 1.00 0.00 O ATOM 542 CB LYS A 36 2.294 2.836 -8.506 1.00 0.00 C ATOM 543 CG LYS A 36 3.383 2.090 -9.321 1.00 0.00 C ATOM 544 CD LYS A 36 3.916 0.803 -8.672 1.00 0.00 C ATOM 545 CE LYS A 36 4.732 -0.016 -9.677 1.00 0.00 C ATOM 546 NZ LYS A 36 5.343 -1.247 -9.087 1.00 0.00 N ATOM 0 H LYS A 36 1.885 1.268 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 36 3.687 3.386 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.390 2.227 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.058 3.763 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.975 1.842 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.220 2.769 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.537 1.054 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.083 0.206 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.088 -0.302 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.523 0.611 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.908 -1.735 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.956 -0.982 -8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.590 -1.881 -8.750 1.00 0.00 H new ATOM 560 N GLN A 37 0.633 4.261 -6.139 1.00 0.00 N ATOM 561 CA GLN A 37 -0.152 5.389 -5.674 1.00 0.00 C ATOM 562 C GLN A 37 0.413 5.923 -4.364 1.00 0.00 C ATOM 563 O GLN A 37 0.589 7.129 -4.196 1.00 0.00 O ATOM 564 CB GLN A 37 -1.636 5.016 -5.504 1.00 0.00 C ATOM 565 CG GLN A 37 -2.360 4.598 -6.793 1.00 0.00 C ATOM 566 CD GLN A 37 -2.433 5.688 -7.865 1.00 0.00 C ATOM 567 OE1 GLN A 37 -1.555 6.541 -7.985 1.00 0.00 O ATOM 568 NE2 GLN A 37 -3.484 5.669 -8.641 1.00 0.00 N ATOM 0 H GLN A 37 0.167 3.356 -6.068 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.091 6.170 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.708 4.200 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.161 5.868 -5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.855 3.728 -7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.374 4.287 -6.540 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.196 4.949 -8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.592 6.374 -9.370 1.00 0.00 H new ATOM 577 N ILE A 38 0.743 5.015 -3.459 1.00 0.00 N ATOM 578 CA ILE A 38 1.275 5.389 -2.153 1.00 0.00 C ATOM 579 C ILE A 38 2.658 6.033 -2.274 1.00 0.00 C ATOM 580 O ILE A 38 2.937 7.027 -1.610 1.00 0.00 O ATOM 581 CB ILE A 38 1.312 4.187 -1.162 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.113 3.671 -0.915 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.973 4.581 0.160 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.195 2.526 0.067 1.00 0.00 C ATOM 0 H ILE A 38 0.652 4.009 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 38 0.589 6.129 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 38 1.909 3.392 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.727 4.494 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.542 3.352 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.984 3.722 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.996 4.908 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.411 5.394 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.235 2.221 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.390 1.685 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.201 2.845 1.031 1.00 0.00 H new ATOM 596 N MET A 39 3.498 5.496 -3.153 1.00 0.00 N ATOM 597 CA MET A 39 4.843 6.045 -3.357 1.00 0.00 C ATOM 598 C MET A 39 4.764 7.480 -3.822 1.00 0.00 C ATOM 599 O MET A 39 5.524 8.328 -3.361 1.00 0.00 O ATOM 600 CB MET A 39 5.699 5.230 -4.345 1.00 0.00 C ATOM 601 CG MET A 39 6.053 3.822 -3.893 1.00 0.00 C ATOM 602 SD MET A 39 7.190 3.029 -5.048 1.00 0.00 S ATOM 603 CE MET A 39 7.520 1.481 -4.226 1.00 0.00 C ATOM 0 H MET A 39 3.278 4.687 -3.734 1.00 0.00 H new ATOM 0 HA MET A 39 5.338 5.989 -2.387 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.166 5.166 -5.294 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.623 5.776 -4.535 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.505 3.859 -2.902 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.144 3.226 -3.807 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.014 0.800 -4.918 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.166 1.656 -3.366 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.581 1.040 -3.891 1.00 0.00 H new ATOM 613 N GLY A 40 3.815 7.757 -4.694 1.00 0.00 N ATOM 614 CA GLY A 40 3.643 9.100 -5.177 1.00 0.00 C ATOM 615 C GLY A 40 3.044 10.004 -4.128 1.00 0.00 C ATOM 616 O GLY A 40 3.465 11.137 -3.962 1.00 0.00 O ATOM 0 H GLY A 40 3.161 7.074 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.607 9.499 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.000 9.090 -6.057 1.00 0.00 H new ATOM 620 N ARG A 41 2.102 9.476 -3.390 1.00 0.00 N ATOM 621 CA ARG A 41 1.395 10.229 -2.369 1.00 0.00 C ATOM 622 C ARG A 41 2.294 10.584 -1.179 1.00 0.00 C ATOM 623 O ARG A 41 2.380 11.745 -0.777 1.00 0.00 O ATOM 624 CB ARG A 41 0.171 9.450 -1.883 1.00 0.00 C ATOM 625 CG ARG A 41 -0.534 10.116 -0.713 1.00 0.00 C ATOM 626 CD ARG A 41 -1.684 9.293 -0.186 1.00 0.00 C ATOM 627 NE ARG A 41 -2.835 9.241 -1.095 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.057 8.841 -0.724 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.224 8.197 0.430 1.00 0.00 N ATOM 630 NH2 ARG A 41 -5.094 9.024 -1.533 1.00 0.00 N ATOM 0 H ARG A 41 1.797 8.506 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 41 1.074 11.164 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.533 9.339 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.479 8.446 -1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.184 10.287 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.903 11.093 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.336 8.278 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.006 9.704 0.771 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.696 9.526 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.421 8.009 1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.155 7.892 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.960 9.471 -2.440 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.024 8.718 -1.247 1.00 0.00 H new ATOM 644 N GLU A 42 2.988 9.601 -0.661 1.00 0.00 N ATOM 645 CA GLU A 42 3.777 9.763 0.560 1.00 0.00 C ATOM 646 C GLU A 42 5.126 10.378 0.284 1.00 0.00 C ATOM 647 O GLU A 42 5.827 10.813 1.210 1.00 0.00 O ATOM 648 CB GLU A 42 4.014 8.435 1.194 1.00 0.00 C ATOM 649 CG GLU A 42 2.797 7.727 1.773 1.00 0.00 C ATOM 650 CD GLU A 42 2.206 8.435 2.960 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.967 9.020 3.750 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.970 8.366 3.168 1.00 0.00 O ATOM 0 H GLU A 42 3.030 8.665 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 42 3.207 10.421 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.468 7.779 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.744 8.565 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.036 7.635 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.079 6.715 2.065 1.00 0.00 H new ATOM 659 N LYS A 43 5.473 10.387 -0.983 1.00 0.00 N ATOM 660 CA LYS A 43 6.730 10.888 -1.519 1.00 0.00 C ATOM 661 C LYS A 43 7.856 9.909 -1.239 1.00 0.00 C ATOM 662 O LYS A 43 8.752 10.163 -0.429 1.00 0.00 O ATOM 663 CB LYS A 43 7.110 12.340 -1.066 1.00 0.00 C ATOM 664 CG LYS A 43 5.974 13.362 -1.109 1.00 0.00 C ATOM 665 CD LYS A 43 5.118 13.172 -2.332 1.00 0.00 C ATOM 666 CE LYS A 43 4.055 14.253 -2.473 1.00 0.00 C ATOM 667 NZ LYS A 43 3.134 14.295 -1.313 1.00 0.00 N ATOM 0 H LYS A 43 4.856 10.027 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 43 6.576 10.968 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.496 12.295 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.922 12.698 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.360 13.265 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.388 14.370 -1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.752 13.172 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.635 12.196 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.540 15.223 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.481 14.078 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.409 15.023 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.675 13.369 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.671 14.523 -0.452 1.00 0.00 H new ATOM 681 N LEU A 44 7.756 8.755 -1.844 1.00 0.00 N ATOM 682 CA LEU A 44 8.782 7.750 -1.710 1.00 0.00 C ATOM 683 C LEU A 44 9.711 7.753 -2.874 1.00 0.00 C ATOM 684 O LEU A 44 9.344 8.136 -3.993 1.00 0.00 O ATOM 685 CB LEU A 44 8.243 6.328 -1.532 1.00 0.00 C ATOM 686 CG LEU A 44 7.950 5.857 -0.113 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.784 6.589 0.495 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.727 4.364 -0.100 1.00 0.00 C ATOM 0 H LEU A 44 6.972 8.485 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 44 9.311 8.027 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.323 6.242 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.963 5.638 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 44 8.819 6.087 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.611 6.221 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.002 7.656 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.893 6.420 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.518 4.036 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.881 4.117 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.621 3.859 -0.468 1.00 0.00 H new ATOM 700 N LYS A 45 10.902 7.327 -2.609 1.00 0.00 N ATOM 701 CA LYS A 45 11.900 7.167 -3.605 1.00 0.00 C ATOM 702 C LYS A 45 12.081 5.692 -3.924 1.00 0.00 C ATOM 703 O LYS A 45 12.714 4.931 -3.169 1.00 0.00 O ATOM 704 CB LYS A 45 13.196 7.867 -3.201 1.00 0.00 C ATOM 705 CG LYS A 45 13.636 7.638 -1.765 1.00 0.00 C ATOM 706 CD LYS A 45 14.909 8.405 -1.453 1.00 0.00 C ATOM 707 CE LYS A 45 14.727 9.906 -1.654 1.00 0.00 C ATOM 708 NZ LYS A 45 15.952 10.646 -1.349 1.00 0.00 N ATOM 0 H LYS A 45 11.212 7.076 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 45 11.578 7.653 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.993 7.533 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.076 8.939 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.844 7.950 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.799 6.573 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.209 8.209 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.716 8.047 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.431 10.102 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.918 10.263 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.790 11.662 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.221 10.479 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.718 10.323 -1.974 1.00 0.00 H new ATOM 722 N ALA A 46 11.508 5.293 -5.038 1.00 0.00 N ATOM 723 CA ALA A 46 11.474 3.903 -5.468 1.00 0.00 C ATOM 724 C ALA A 46 12.842 3.406 -5.951 1.00 0.00 C ATOM 725 O ALA A 46 13.028 2.221 -6.213 1.00 0.00 O ATOM 726 CB ALA A 46 10.403 3.724 -6.536 1.00 0.00 C ATOM 0 H ALA A 46 11.044 5.931 -5.684 1.00 0.00 H new ATOM 0 HA ALA A 46 11.220 3.288 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.379 2.682 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.431 4.000 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.631 4.361 -7.390 1.00 0.00 H new ATOM 732 N ALA A 47 13.798 4.307 -6.065 1.00 0.00 N ATOM 733 CA ALA A 47 15.139 3.918 -6.464 1.00 0.00 C ATOM 734 C ALA A 47 15.992 3.626 -5.247 1.00 0.00 C ATOM 735 O ALA A 47 17.101 3.112 -5.359 1.00 0.00 O ATOM 736 CB ALA A 47 15.782 4.994 -7.301 1.00 0.00 C ATOM 0 H ALA A 47 13.675 5.304 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 47 15.063 3.012 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.786 4.681 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.185 5.164 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.841 5.917 -6.724 1.00 0.00 H new ATOM 742 N ASP A 48 15.471 3.942 -4.084 1.00 0.00 N ATOM 743 CA ASP A 48 16.212 3.731 -2.852 1.00 0.00 C ATOM 744 C ASP A 48 15.559 2.647 -2.034 1.00 0.00 C ATOM 745 O ASP A 48 16.231 1.775 -1.490 1.00 0.00 O ATOM 746 CB ASP A 48 16.281 5.012 -2.019 1.00 0.00 C ATOM 747 CG ASP A 48 17.149 4.873 -0.775 1.00 0.00 C ATOM 748 OD1 ASP A 48 16.703 4.289 0.232 1.00 0.00 O ATOM 749 OD2 ASP A 48 18.308 5.363 -0.783 1.00 0.00 O ATOM 0 H ASP A 48 14.542 4.344 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 48 17.225 3.434 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.671 5.820 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.273 5.298 -1.720 1.00 0.00 H new ATOM 754 N CYS A 49 14.252 2.687 -1.970 1.00 0.00 N ATOM 755 CA CYS A 49 13.511 1.756 -1.167 1.00 0.00 C ATOM 756 C CYS A 49 12.386 1.113 -1.972 1.00 0.00 C ATOM 757 O CYS A 49 12.101 1.512 -3.103 1.00 0.00 O ATOM 758 CB CYS A 49 12.920 2.470 0.048 1.00 0.00 C ATOM 759 SG CYS A 49 14.123 3.234 1.159 1.00 0.00 S ATOM 0 H CYS A 49 13.677 3.364 -2.472 1.00 0.00 H new ATOM 0 HA CYS A 49 14.196 0.974 -0.838 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.234 3.241 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.329 1.753 0.618 1.00 0.00 H new ATOM 0 HG CYS A 49 15.239 3.431 0.521 1.00 0.00 H new ATOM 765 N ASP A 50 11.764 0.130 -1.380 1.00 0.00 N ATOM 766 CA ASP A 50 10.646 -0.579 -1.954 1.00 0.00 C ATOM 767 C ASP A 50 9.522 -0.507 -0.944 1.00 0.00 C ATOM 768 O ASP A 50 9.745 -0.096 0.212 1.00 0.00 O ATOM 769 CB ASP A 50 10.990 -2.041 -2.228 1.00 0.00 C ATOM 770 CG ASP A 50 10.057 -2.676 -3.247 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.968 -3.135 -2.883 1.00 0.00 O ATOM 772 OD2 ASP A 50 10.411 -2.714 -4.446 1.00 0.00 O ATOM 0 H ASP A 50 12.027 -0.212 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 50 10.369 -0.129 -2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.017 -2.108 -2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.942 -2.603 -1.296 1.00 0.00 H new ATOM 777 N LEU A 51 8.361 -0.913 -1.318 1.00 0.00 N ATOM 778 CA LEU A 51 7.232 -0.753 -0.476 1.00 0.00 C ATOM 779 C LEU A 51 6.628 -2.121 -0.181 1.00 0.00 C ATOM 780 O LEU A 51 6.160 -2.813 -1.073 1.00 0.00 O ATOM 781 CB LEU A 51 6.244 0.196 -1.153 1.00 0.00 C ATOM 782 CG LEU A 51 5.157 0.776 -0.287 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.780 1.509 0.869 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.294 1.726 -1.088 1.00 0.00 C ATOM 0 H LEU A 51 8.168 -1.363 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 51 7.511 -0.311 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.809 1.021 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.772 -0.337 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 51 4.530 -0.034 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.996 1.930 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.383 0.817 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.413 2.312 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.513 2.136 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.910 2.538 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.836 1.189 -1.919 1.00 0.00 H new ATOM 796 N GLN A 52 6.660 -2.506 1.057 1.00 0.00 N ATOM 797 CA GLN A 52 6.222 -3.815 1.457 1.00 0.00 C ATOM 798 C GLN A 52 4.986 -3.711 2.339 1.00 0.00 C ATOM 799 O GLN A 52 5.038 -3.202 3.447 1.00 0.00 O ATOM 800 CB GLN A 52 7.364 -4.505 2.168 1.00 0.00 C ATOM 801 CG GLN A 52 7.120 -5.942 2.539 1.00 0.00 C ATOM 802 CD GLN A 52 8.342 -6.567 3.158 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.533 -6.526 4.370 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.183 -7.141 2.343 1.00 0.00 N ATOM 0 H GLN A 52 6.991 -1.922 1.825 1.00 0.00 H new ATOM 0 HA GLN A 52 5.942 -4.406 0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.248 -4.457 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.594 -3.947 3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.286 -6.002 3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.833 -6.505 1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.992 -7.156 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.031 -7.574 2.708 1.00 0.00 H new ATOM 813 N ILE A 53 3.889 -4.178 1.840 1.00 0.00 N ATOM 814 CA ILE A 53 2.630 -4.063 2.536 1.00 0.00 C ATOM 815 C ILE A 53 2.314 -5.377 3.257 1.00 0.00 C ATOM 816 O ILE A 53 2.530 -6.449 2.723 1.00 0.00 O ATOM 817 CB ILE A 53 1.461 -3.620 1.563 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.579 -2.133 1.140 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.098 -3.824 2.187 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.793 -1.741 0.330 1.00 0.00 C ATOM 0 H ILE A 53 3.830 -4.652 0.939 1.00 0.00 H new ATOM 0 HA ILE A 53 2.716 -3.276 3.285 1.00 0.00 H new ATOM 0 HB ILE A 53 1.562 -4.256 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.690 -1.874 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.563 -1.522 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.674 -3.507 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.039 -4.879 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.024 -3.233 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.750 -0.676 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.696 -1.954 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.810 -2.310 -0.599 1.00 0.00 H new ATOM 832 N THR A 54 1.882 -5.282 4.479 1.00 0.00 N ATOM 833 CA THR A 54 1.550 -6.426 5.286 1.00 0.00 C ATOM 834 C THR A 54 0.102 -6.295 5.793 1.00 0.00 C ATOM 835 O THR A 54 -0.304 -5.228 6.206 1.00 0.00 O ATOM 836 CB THR A 54 2.524 -6.480 6.472 1.00 0.00 C ATOM 837 OG1 THR A 54 3.862 -6.432 5.969 1.00 0.00 O ATOM 838 CG2 THR A 54 2.331 -7.735 7.302 1.00 0.00 C ATOM 0 H THR A 54 1.747 -4.390 4.956 1.00 0.00 H new ATOM 0 HA THR A 54 1.632 -7.342 4.700 1.00 0.00 H new ATOM 0 HB THR A 54 2.328 -5.626 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.479 -6.777 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.039 -7.735 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.314 -7.760 7.693 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.502 -8.613 6.679 1.00 0.00 H new ATOM 846 N ASN A 55 -0.671 -7.364 5.714 1.00 0.00 N ATOM 847 CA ASN A 55 -2.066 -7.366 6.185 1.00 0.00 C ATOM 848 C ASN A 55 -2.119 -7.075 7.676 1.00 0.00 C ATOM 849 O ASN A 55 -1.344 -7.644 8.436 1.00 0.00 O ATOM 850 CB ASN A 55 -2.696 -8.715 5.932 1.00 0.00 C ATOM 851 CG ASN A 55 -4.181 -8.682 6.049 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.725 -8.836 7.123 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.836 -8.514 4.970 1.00 0.00 N ATOM 0 H ASN A 55 -0.362 -8.255 5.326 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.612 -6.595 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.421 -9.060 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.295 -9.439 6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.856 -8.505 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.341 -8.388 4.087 1.00 0.00 H new ATOM 860 N ALA A 56 -3.028 -6.210 8.101 1.00 0.00 N ATOM 861 CA ALA A 56 -3.123 -5.843 9.514 1.00 0.00 C ATOM 862 C ALA A 56 -3.725 -6.972 10.344 1.00 0.00 C ATOM 863 O ALA A 56 -3.443 -7.103 11.528 1.00 0.00 O ATOM 864 CB ALA A 56 -3.932 -4.566 9.685 1.00 0.00 C ATOM 0 H ALA A 56 -3.708 -5.750 7.496 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.111 -5.665 9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.990 -4.311 10.743 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.449 -3.754 9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.938 -4.717 9.292 1.00 0.00 H new ATOM 870 N GLN A 57 -4.512 -7.804 9.708 1.00 0.00 N ATOM 871 CA GLN A 57 -5.194 -8.888 10.387 1.00 0.00 C ATOM 872 C GLN A 57 -4.400 -10.179 10.332 1.00 0.00 C ATOM 873 O GLN A 57 -4.143 -10.806 11.355 1.00 0.00 O ATOM 874 CB GLN A 57 -6.569 -9.122 9.769 1.00 0.00 C ATOM 875 CG GLN A 57 -7.539 -7.981 9.942 1.00 0.00 C ATOM 876 CD GLN A 57 -8.828 -8.214 9.191 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.972 -7.810 8.032 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.760 -8.858 9.817 1.00 0.00 N ATOM 0 H GLN A 57 -4.700 -7.753 8.707 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.300 -8.593 11.431 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.445 -9.318 8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.003 -10.020 10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.756 -7.848 11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.078 -7.057 9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.606 -9.177 10.774 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.649 -9.047 9.354 1.00 0.00 H new ATOM 887 N THR A 58 -4.008 -10.572 9.151 1.00 0.00 N ATOM 888 CA THR A 58 -3.387 -11.862 8.969 1.00 0.00 C ATOM 889 C THR A 58 -1.866 -11.776 9.001 1.00 0.00 C ATOM 890 O THR A 58 -1.183 -12.796 9.159 1.00 0.00 O ATOM 891 CB THR A 58 -3.831 -12.471 7.621 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.285 -11.699 6.554 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.327 -12.393 7.490 1.00 0.00 C ATOM 0 H THR A 58 -4.106 -10.020 8.299 1.00 0.00 H new ATOM 0 HA THR A 58 -3.707 -12.496 9.796 1.00 0.00 H new ATOM 0 HB THR A 58 -3.491 -13.506 7.582 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.688 -11.982 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.632 -12.825 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.793 -12.947 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.642 -11.350 7.534 1.00 0.00 H new ATOM 901 N LYS A 59 -1.343 -10.552 8.856 1.00 0.00 N ATOM 902 CA LYS A 59 0.094 -10.300 8.755 1.00 0.00 C ATOM 903 C LYS A 59 0.705 -10.957 7.531 1.00 0.00 C ATOM 904 O LYS A 59 1.896 -11.248 7.480 1.00 0.00 O ATOM 905 CB LYS A 59 0.847 -10.602 10.054 1.00 0.00 C ATOM 906 CG LYS A 59 0.891 -9.413 11.019 1.00 0.00 C ATOM 907 CD LYS A 59 -0.485 -8.917 11.441 1.00 0.00 C ATOM 908 CE LYS A 59 -0.387 -7.600 12.212 1.00 0.00 C ATOM 909 NZ LYS A 59 0.472 -7.711 13.397 1.00 0.00 N ATOM 0 H LYS A 59 -1.911 -9.706 8.806 1.00 0.00 H new ATOM 0 HA LYS A 59 0.212 -9.227 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.373 -11.448 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.866 -10.904 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.453 -9.699 11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.434 -8.594 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.111 -8.779 10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.971 -9.670 12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.004 -6.824 11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.385 -7.285 12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.414 -6.833 13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.155 -8.511 13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.456 -7.868 13.099 1.00 0.00 H new ATOM 923 N GLU A 60 -0.133 -11.137 6.536 1.00 0.00 N ATOM 924 CA GLU A 60 0.252 -11.645 5.248 1.00 0.00 C ATOM 925 C GLU A 60 1.015 -10.542 4.530 1.00 0.00 C ATOM 926 O GLU A 60 0.476 -9.454 4.301 1.00 0.00 O ATOM 927 CB GLU A 60 -1.022 -11.979 4.509 1.00 0.00 C ATOM 928 CG GLU A 60 -0.905 -12.583 3.137 1.00 0.00 C ATOM 929 CD GLU A 60 -2.278 -12.911 2.610 1.00 0.00 C ATOM 930 OE1 GLU A 60 -3.051 -11.976 2.296 1.00 0.00 O ATOM 931 OE2 GLU A 60 -2.646 -14.099 2.556 1.00 0.00 O ATOM 0 H GLU A 60 -1.129 -10.927 6.607 1.00 0.00 H new ATOM 0 HA GLU A 60 0.883 -12.531 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.597 -12.667 5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.607 -11.064 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.403 -11.888 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.295 -13.485 3.177 1.00 0.00 H new ATOM 938 N GLU A 61 2.254 -10.790 4.252 1.00 0.00 N ATOM 939 CA GLU A 61 3.102 -9.847 3.614 1.00 0.00 C ATOM 940 C GLU A 61 2.986 -9.956 2.133 1.00 0.00 C ATOM 941 O GLU A 61 3.135 -11.038 1.553 1.00 0.00 O ATOM 942 CB GLU A 61 4.520 -10.070 4.055 1.00 0.00 C ATOM 943 CG GLU A 61 4.723 -9.679 5.480 1.00 0.00 C ATOM 944 CD GLU A 61 6.034 -10.119 6.051 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.151 -11.304 6.433 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.959 -9.296 6.168 1.00 0.00 O ATOM 0 H GLU A 61 2.711 -11.676 4.469 1.00 0.00 H new ATOM 0 HA GLU A 61 2.796 -8.840 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.780 -11.120 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.193 -9.494 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.648 -8.595 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.917 -10.101 6.080 1.00 0.00 H new ATOM 953 N TYR A 62 2.717 -8.858 1.536 1.00 0.00 N ATOM 954 CA TYR A 62 2.552 -8.769 0.120 1.00 0.00 C ATOM 955 C TYR A 62 3.830 -8.256 -0.470 1.00 0.00 C ATOM 956 O TYR A 62 4.164 -7.078 -0.327 1.00 0.00 O ATOM 957 CB TYR A 62 1.394 -7.835 -0.220 1.00 0.00 C ATOM 958 CG TYR A 62 0.110 -8.216 0.472 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.610 -9.322 0.075 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.363 -7.479 1.542 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.765 -9.679 0.715 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.518 -7.832 2.197 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.216 -8.933 1.778 1.00 0.00 C ATOM 964 OH TYR A 62 -3.369 -9.308 2.429 1.00 0.00 O ATOM 0 H TYR A 62 2.601 -7.969 2.022 1.00 0.00 H new ATOM 0 HA TYR A 62 2.321 -9.751 -0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.662 -6.816 0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.235 -7.840 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.257 -9.916 -0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.186 -6.609 1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.321 -10.544 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.872 -7.247 3.033 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.315 -10.256 2.670 1.00 0.00 H new ATOM 974 N THR A 63 4.572 -9.137 -1.064 1.00 0.00 N ATOM 975 CA THR A 63 5.837 -8.787 -1.636 1.00 0.00 C ATOM 976 C THR A 63 5.789 -8.928 -3.165 1.00 0.00 C ATOM 977 O THR A 63 6.761 -8.643 -3.876 1.00 0.00 O ATOM 978 CB THR A 63 6.939 -9.675 -1.019 1.00 0.00 C ATOM 979 OG1 THR A 63 6.602 -11.063 -1.222 1.00 0.00 O ATOM 980 CG2 THR A 63 7.063 -9.407 0.487 1.00 0.00 C ATOM 0 H THR A 63 4.319 -10.120 -1.167 1.00 0.00 H new ATOM 0 HA THR A 63 6.067 -7.745 -1.412 1.00 0.00 H new ATOM 0 HB THR A 63 7.888 -9.442 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.301 -11.630 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.844 -10.041 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.319 -8.360 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.114 -9.629 0.975 1.00 0.00 H new ATOM 988 N ASP A 64 4.645 -9.380 -3.660 1.00 0.00 N ATOM 989 CA ASP A 64 4.412 -9.522 -5.092 1.00 0.00 C ATOM 990 C ASP A 64 3.490 -8.423 -5.521 1.00 0.00 C ATOM 991 O ASP A 64 2.453 -8.242 -4.917 1.00 0.00 O ATOM 992 CB ASP A 64 3.721 -10.854 -5.436 1.00 0.00 C ATOM 993 CG ASP A 64 4.512 -12.079 -5.084 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.394 -12.487 -5.865 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.229 -12.690 -4.041 1.00 0.00 O ATOM 0 H ASP A 64 3.853 -9.659 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 64 5.378 -9.486 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.763 -10.895 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.506 -10.871 -6.505 1.00 0.00 H new ATOM 1000 N ASP A 65 3.817 -7.730 -6.586 1.00 0.00 N ATOM 1001 CA ASP A 65 2.987 -6.617 -7.102 1.00 0.00 C ATOM 1002 C ASP A 65 1.642 -7.114 -7.601 1.00 0.00 C ATOM 1003 O ASP A 65 0.718 -6.328 -7.852 1.00 0.00 O ATOM 1004 CB ASP A 65 3.691 -5.845 -8.231 1.00 0.00 C ATOM 1005 CG ASP A 65 4.765 -4.884 -7.780 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.842 -5.333 -7.314 1.00 0.00 O ATOM 1007 OD2 ASP A 65 4.559 -3.645 -7.869 1.00 0.00 O ATOM 0 H ASP A 65 4.660 -7.905 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 65 2.832 -5.939 -6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.135 -6.564 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.940 -5.289 -8.792 1.00 0.00 H new ATOM 1012 N ASN A 66 1.537 -8.409 -7.738 1.00 0.00 N ATOM 1013 CA ASN A 66 0.317 -9.054 -8.174 1.00 0.00 C ATOM 1014 C ASN A 66 -0.561 -9.447 -7.003 1.00 0.00 C ATOM 1015 O ASN A 66 -1.614 -10.049 -7.187 1.00 0.00 O ATOM 1016 CB ASN A 66 0.620 -10.251 -9.068 1.00 0.00 C ATOM 1017 CG ASN A 66 1.088 -9.828 -10.445 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.293 -9.713 -11.378 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.360 -9.557 -10.588 1.00 0.00 N ATOM 0 H ASN A 66 2.302 -9.057 -7.549 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.243 -8.329 -8.764 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.386 -10.869 -8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.274 -10.868 -9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.716 -9.241 -11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.996 -9.661 -9.797 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.122 -9.115 -5.796 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.933 -9.312 -4.618 1.00 0.00 C ATOM 1028 C ALA A 67 -2.043 -8.291 -4.666 1.00 0.00 C ATOM 1029 O ALA A 67 -1.856 -7.235 -5.216 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.108 -9.132 -3.371 1.00 0.00 C ATOM 0 H ALA A 67 0.795 -8.707 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.339 -10.324 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.737 -9.284 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.705 -9.858 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.305 -8.124 -3.351 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.181 -8.606 -4.162 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.301 -7.698 -4.251 1.00 0.00 C ATOM 1038 C LEU A 68 -4.783 -7.289 -2.865 1.00 0.00 C ATOM 1039 O LEU A 68 -4.778 -8.110 -1.940 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.410 -8.328 -5.093 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.171 -9.475 -4.452 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.401 -8.947 -3.767 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.507 -10.544 -5.462 1.00 0.00 C ATOM 0 H LEU A 68 -3.376 -9.483 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.985 -6.782 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.124 -7.548 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.971 -8.686 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.535 -9.944 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.945 -9.773 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.110 -8.232 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.041 -8.453 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.051 -11.350 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.125 -10.117 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.587 -10.938 -5.894 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.107 -6.029 -2.682 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.666 -5.591 -1.420 1.00 0.00 C ATOM 1057 C ILE A 69 -7.076 -5.007 -1.636 1.00 0.00 C ATOM 1058 O ILE A 69 -7.244 -4.012 -2.336 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.773 -4.551 -0.648 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.374 -5.111 -0.308 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.466 -4.096 0.631 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.380 -5.134 -1.456 1.00 0.00 C ATOM 0 H ILE A 69 -4.995 -5.295 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.713 -6.480 -0.792 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.636 -3.700 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.952 -4.517 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.491 -6.127 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.833 -3.377 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.418 -3.628 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.642 -4.957 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.432 -5.545 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.770 -5.754 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.223 -4.119 -1.822 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.107 -5.669 -1.101 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.485 -5.186 -1.165 1.00 0.00 C ATOM 1076 C PRO A 70 -9.779 -4.059 -0.176 1.00 0.00 C ATOM 1077 O PRO A 70 -9.177 -3.973 0.895 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.303 -6.420 -0.827 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.409 -7.235 0.037 1.00 0.00 C ATOM 1080 CD PRO A 70 -8.015 -6.971 -0.428 1.00 0.00 C ATOM 0 HA PRO A 70 -9.711 -4.753 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.224 -6.155 -0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.590 -6.965 -1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.527 -6.961 1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.651 -8.295 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.315 -6.941 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.667 -7.748 -1.108 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.746 -3.227 -0.535 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.166 -2.065 0.274 1.00 0.00 C ATOM 1090 C LYS A 71 -11.652 -2.424 1.665 1.00 0.00 C ATOM 1091 O LYS A 71 -11.617 -1.608 2.567 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.233 -1.268 -0.449 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.331 -2.112 -1.064 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.413 -1.250 -1.640 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.488 -2.053 -2.332 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.511 -1.174 -2.922 1.00 0.00 N ATOM 0 H LYS A 71 -11.273 -3.330 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.268 -1.461 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.681 -0.564 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.760 -0.679 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.912 -2.747 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.753 -2.774 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.863 -0.658 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.975 -0.549 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.040 -2.669 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.955 -2.732 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.151 -1.737 -3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.056 -0.718 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.049 -0.445 -3.503 1.00 0.00 H new ATOM 1110 N ASN A 72 -12.095 -3.626 1.841 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.573 -4.051 3.149 1.00 0.00 C ATOM 1112 C ASN A 72 -11.424 -4.389 4.088 1.00 0.00 C ATOM 1113 O ASN A 72 -11.596 -4.398 5.303 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.546 -5.238 3.061 1.00 0.00 C ATOM 1115 CG ASN A 72 -13.008 -6.392 2.243 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -12.240 -7.223 2.734 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -13.452 -6.482 1.012 1.00 0.00 N ATOM 0 H ASN A 72 -12.143 -4.338 1.112 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.118 -3.201 3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.772 -5.589 4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.485 -4.898 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.163 -7.262 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.086 -5.772 0.645 1.00 0.00 H new ATOM 1124 N SER A 73 -10.251 -4.597 3.547 1.00 0.00 N ATOM 1125 CA SER A 73 -9.138 -5.023 4.362 1.00 0.00 C ATOM 1126 C SER A 73 -8.217 -3.848 4.707 1.00 0.00 C ATOM 1127 O SER A 73 -7.996 -2.957 3.883 1.00 0.00 O ATOM 1128 CB SER A 73 -8.376 -6.136 3.645 1.00 0.00 C ATOM 1129 OG SER A 73 -9.242 -7.235 3.363 1.00 0.00 O ATOM 0 H SER A 73 -10.041 -4.480 2.556 1.00 0.00 H new ATOM 0 HA SER A 73 -9.522 -5.412 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.950 -5.754 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.543 -6.471 4.263 1.00 0.00 H new ATOM 0 HG SER A 73 -10.156 -6.907 3.236 1.00 0.00 H new ATOM 1135 N SER A 74 -7.741 -3.823 5.931 1.00 0.00 N ATOM 1136 CA SER A 74 -6.819 -2.824 6.372 1.00 0.00 C ATOM 1137 C SER A 74 -5.423 -3.446 6.315 1.00 0.00 C ATOM 1138 O SER A 74 -5.234 -4.625 6.687 1.00 0.00 O ATOM 1139 CB SER A 74 -7.167 -2.389 7.812 1.00 0.00 C ATOM 1140 OG SER A 74 -6.485 -1.213 8.188 1.00 0.00 O ATOM 0 H SER A 74 -7.990 -4.505 6.648 1.00 0.00 H new ATOM 0 HA SER A 74 -6.865 -1.937 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.242 -2.226 7.892 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.914 -3.192 8.504 1.00 0.00 H new ATOM 0 HG SER A 74 -6.265 -0.692 7.387 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.472 -2.709 5.824 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.131 -3.207 5.668 1.00 0.00 C ATOM 1148 C VAL A 75 -2.114 -2.216 6.251 1.00 0.00 C ATOM 1149 O VAL A 75 -2.395 -1.024 6.383 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.796 -3.532 4.170 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.580 -4.745 3.687 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.107 -2.354 3.261 1.00 0.00 C ATOM 0 H VAL A 75 -4.600 -1.744 5.519 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.064 -4.142 6.224 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.728 -3.744 4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.330 -4.949 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.324 -5.611 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.648 -4.545 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.863 -2.615 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.167 -2.110 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.515 -1.492 3.567 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.972 -2.714 6.617 1.00 0.00 N ATOM 1163 CA ILE A 76 0.100 -1.917 7.174 1.00 0.00 C ATOM 1164 C ILE A 76 1.153 -1.767 6.087 1.00 0.00 C ATOM 1165 O ILE A 76 1.539 -2.751 5.452 1.00 0.00 O ATOM 1166 CB ILE A 76 0.741 -2.615 8.420 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.338 -3.021 9.453 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.792 -1.713 9.078 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -1.149 -1.873 10.026 1.00 0.00 C ATOM 0 H ILE A 76 -0.746 -3.706 6.539 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.288 -0.952 7.500 1.00 0.00 H new ATOM 0 HB ILE A 76 1.235 -3.520 8.067 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.021 -3.728 8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.148 -3.547 10.275 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.221 -2.223 9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.581 -1.490 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.323 -0.784 9.402 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.877 -2.262 10.739 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.483 -1.174 10.532 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.671 -1.358 9.219 1.00 0.00 H new ATOM 1181 N VAL A 77 1.589 -0.568 5.856 1.00 0.00 N ATOM 1182 CA VAL A 77 2.520 -0.292 4.793 1.00 0.00 C ATOM 1183 C VAL A 77 3.911 -0.029 5.362 1.00 0.00 C ATOM 1184 O VAL A 77 4.138 0.965 6.055 1.00 0.00 O ATOM 1185 CB VAL A 77 2.051 0.912 3.953 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.933 1.107 2.753 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.611 0.737 3.528 1.00 0.00 C ATOM 0 H VAL A 77 1.313 0.252 6.396 1.00 0.00 H new ATOM 0 HA VAL A 77 2.565 -1.166 4.143 1.00 0.00 H new ATOM 0 HB VAL A 77 2.122 1.804 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.580 1.963 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.957 1.287 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.902 0.213 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.299 1.598 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.516 -0.169 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.022 0.656 4.412 1.00 0.00 H new ATOM 1197 N ARG A 78 4.811 -0.922 5.067 1.00 0.00 N ATOM 1198 CA ARG A 78 6.171 -0.882 5.551 1.00 0.00 C ATOM 1199 C ARG A 78 7.098 -0.466 4.400 1.00 0.00 C ATOM 1200 O ARG A 78 6.865 -0.835 3.245 1.00 0.00 O ATOM 1201 CB ARG A 78 6.524 -2.300 6.032 1.00 0.00 C ATOM 1202 CG ARG A 78 7.906 -2.491 6.611 1.00 0.00 C ATOM 1203 CD ARG A 78 8.182 -3.975 6.848 1.00 0.00 C ATOM 1204 NE ARG A 78 7.222 -4.597 7.777 1.00 0.00 N ATOM 1205 CZ ARG A 78 6.882 -5.903 7.778 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.314 -6.714 6.814 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.090 -6.383 8.731 1.00 0.00 N ATOM 0 H ARG A 78 4.619 -1.723 4.466 1.00 0.00 H new ATOM 0 HA ARG A 78 6.285 -0.167 6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.794 -2.596 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.409 -2.984 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.652 -2.079 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.993 -1.944 7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.150 -4.502 5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.191 -4.093 7.244 1.00 0.00 H new ATOM 0 HE ARG A 78 6.781 -3.995 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.906 -6.349 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.053 -7.700 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.739 -5.764 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.833 -7.370 8.731 1.00 0.00 H new ATOM 1221 N ARG A 79 8.119 0.299 4.686 1.00 0.00 N ATOM 1222 CA ARG A 79 9.057 0.691 3.654 1.00 0.00 C ATOM 1223 C ARG A 79 10.335 -0.106 3.836 1.00 0.00 C ATOM 1224 O ARG A 79 11.011 0.021 4.854 1.00 0.00 O ATOM 1225 CB ARG A 79 9.357 2.187 3.721 1.00 0.00 C ATOM 1226 CG ARG A 79 10.229 2.683 2.578 1.00 0.00 C ATOM 1227 CD ARG A 79 10.669 4.122 2.785 1.00 0.00 C ATOM 1228 NE ARG A 79 11.521 4.248 3.969 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.582 5.056 4.089 1.00 0.00 C ATOM 1230 NH1 ARG A 79 12.891 5.926 3.123 1.00 0.00 N ATOM 1231 NH2 ARG A 79 13.311 5.013 5.197 1.00 0.00 N ATOM 0 H ARG A 79 8.326 0.663 5.616 1.00 0.00 H new ATOM 0 HA ARG A 79 8.620 0.486 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.417 2.739 3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.851 2.408 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.108 2.044 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.679 2.603 1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.210 4.470 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.793 4.761 2.894 1.00 0.00 H new ATOM 0 HE ARG A 79 11.285 3.668 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.316 5.980 2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.702 6.536 3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.061 4.369 5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.121 5.624 5.298 1.00 0.00 H new ATOM 1245 N ILE A 80 10.670 -0.910 2.870 1.00 0.00 N ATOM 1246 CA ILE A 80 11.819 -1.779 2.994 1.00 0.00 C ATOM 1247 C ILE A 80 12.898 -1.384 1.984 1.00 0.00 C ATOM 1248 O ILE A 80 12.594 -0.764 0.979 1.00 0.00 O ATOM 1249 CB ILE A 80 11.407 -3.304 2.884 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.804 -3.681 1.523 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.434 -3.675 3.980 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.817 -4.160 0.508 1.00 0.00 C ATOM 0 H ILE A 80 10.169 -0.987 1.985 1.00 0.00 H new ATOM 0 HA ILE A 80 12.246 -1.652 3.989 1.00 0.00 H new ATOM 0 HB ILE A 80 12.333 -3.868 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.059 -4.462 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.281 -2.815 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.164 -4.727 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.898 -3.505 4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.537 -3.061 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.309 -4.406 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.550 -3.374 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.323 -5.047 0.890 1.00 0.00 H new ATOM 1264 N PRO A 81 14.160 -1.678 2.260 1.00 0.00 N ATOM 1265 CA PRO A 81 15.257 -1.377 1.344 1.00 0.00 C ATOM 1266 C PRO A 81 15.269 -2.338 0.154 1.00 0.00 C ATOM 1267 O PRO A 81 14.965 -3.523 0.293 1.00 0.00 O ATOM 1268 CB PRO A 81 16.499 -1.613 2.207 1.00 0.00 C ATOM 1269 CG PRO A 81 16.064 -2.649 3.171 1.00 0.00 C ATOM 1270 CD PRO A 81 14.643 -2.318 3.491 1.00 0.00 C ATOM 0 HA PRO A 81 15.188 -0.373 0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.344 -1.953 1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.814 -0.701 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.148 -3.647 2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.683 -2.636 4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.067 -3.211 3.733 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.569 -1.649 4.348 1.00 0.00 H new