USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 65 LYS NZ :NH3+ 167:sc= 0.394 (180deg=-0.77) USER MOD Set 1.2: A 83 THR OG1 : rot -102:sc= 1.67 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 19 CYS SG : rot 76:sc= 1.85 USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= -0.661 (180deg=-2.6!) USER MOD Single : A 24 SER OG : rot -60:sc= 0.196 USER MOD Single : A 27 HIS : no HD1:sc= -0.0792 X(o=-0.079,f=-0.099) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= -0.0333 (180deg=-0.102) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -1.61 (180deg=-1.69!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= -1.18 (180deg=-2.88!) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.314) USER MOD Single : A 53 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.64) USER MOD Single : A 55 LYS NZ :NH3+ 138:sc= 1.23 (180deg=0.0478) USER MOD Single : A 56 SER OG : rot 111:sc= 1.22 USER MOD Single : A 69 GLN : amide:sc= -2.42! K(o=-2.4!,f=-1.8) USER MOD Single : A 70 ASN : amide:sc= -3.05! C(o=-3.1!,f=-1.2!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.984 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= -0.883 (180deg=-2.13!) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.18) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= 1.29 (180deg=0.138) USER MOD Single : A 106 MET CE :methyl -120:sc= -3.26 (180deg=-7.77!) USER MOD Single : A 108 LYS NZ :NH3+ 168:sc= 1.13 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -12.811 7.384 5.468 1.00 0.00 N ATOM 61 CA GLY A 5 -11.667 8.151 5.940 1.00 0.00 C ATOM 62 C GLY A 5 -10.428 7.303 6.165 1.00 0.00 C ATOM 63 O GLY A 5 -9.404 7.804 6.630 1.00 0.00 O ATOM 0 HA2 GLY A 5 -11.438 8.932 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.932 8.649 6.872 1.00 0.00 H new ATOM 67 N ILE A 6 -10.532 6.016 5.847 1.00 0.00 N ATOM 68 CA ILE A 6 -9.390 5.116 5.862 1.00 0.00 C ATOM 69 C ILE A 6 -8.344 5.604 4.862 1.00 0.00 C ATOM 70 O ILE A 6 -7.138 5.464 5.074 1.00 0.00 O ATOM 71 CB ILE A 6 -9.810 3.676 5.490 1.00 0.00 C ATOM 72 CG1 ILE A 6 -10.980 3.218 6.365 1.00 0.00 C ATOM 73 CG2 ILE A 6 -8.630 2.724 5.631 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.509 1.844 6.009 1.00 0.00 C ATOM 0 H ILE A 6 -11.408 5.572 5.573 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.976 5.109 6.870 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.135 3.667 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.662 3.216 7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -11.790 3.942 6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.943 1.714 5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.826 3.041 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.275 2.734 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.336 1.589 6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.859 1.845 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.714 1.107 6.122 1.00 0.00 H new ATOM 86 N LEU A 7 -8.827 6.191 3.776 1.00 0.00 N ATOM 87 CA LEU A 7 -7.966 6.723 2.741 1.00 0.00 C ATOM 88 C LEU A 7 -8.539 8.028 2.205 1.00 0.00 C ATOM 89 O LEU A 7 -9.731 8.123 1.919 1.00 0.00 O ATOM 90 CB LEU A 7 -7.805 5.724 1.586 1.00 0.00 C ATOM 91 CG LEU A 7 -9.064 5.470 0.744 1.00 0.00 C ATOM 92 CD1 LEU A 7 -8.688 4.968 -0.637 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.983 4.468 1.428 1.00 0.00 C ATOM 0 H LEU A 7 -9.823 6.309 3.592 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.986 6.905 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.016 6.084 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.467 4.773 1.997 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.596 6.416 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.593 4.793 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.071 5.713 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.130 4.036 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.867 4.305 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.456 3.524 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.285 4.856 2.401 1.00 0.00 H new ATOM 105 N ASN A 8 -7.699 9.037 2.086 1.00 0.00 N ATOM 106 CA ASN A 8 -8.119 10.284 1.475 1.00 0.00 C ATOM 107 C ASN A 8 -7.869 10.221 -0.021 1.00 0.00 C ATOM 108 O ASN A 8 -6.725 10.203 -0.465 1.00 0.00 O ATOM 109 CB ASN A 8 -7.383 11.471 2.092 1.00 0.00 C ATOM 110 CG ASN A 8 -7.912 11.810 3.469 1.00 0.00 C ATOM 111 OD1 ASN A 8 -8.744 12.701 3.631 1.00 0.00 O ATOM 112 ND2 ASN A 8 -7.464 11.070 4.461 1.00 0.00 N ATOM 0 H ASN A 8 -6.729 9.020 2.401 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.184 10.425 1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.319 11.244 2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.484 12.339 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.808 11.225 5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.773 10.341 4.282 1.00 0.00 H new ATOM 119 N ASP A 9 -8.954 10.170 -0.789 1.00 0.00 N ATOM 120 CA ASP A 9 -8.886 10.043 -2.250 1.00 0.00 C ATOM 121 C ASP A 9 -8.008 11.132 -2.861 1.00 0.00 C ATOM 122 O ASP A 9 -7.350 10.921 -3.883 1.00 0.00 O ATOM 123 CB ASP A 9 -10.300 10.103 -2.835 1.00 0.00 C ATOM 124 CG ASP A 9 -10.316 10.149 -4.351 1.00 0.00 C ATOM 125 OD1 ASP A 9 -10.055 9.110 -4.987 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.601 11.230 -4.909 1.00 0.00 O ATOM 0 H ASP A 9 -9.905 10.215 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.434 9.082 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.863 9.233 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.811 10.984 -2.445 1.00 0.00 H new ATOM 131 N ALA A 10 -7.992 12.290 -2.219 1.00 0.00 N ATOM 132 CA ALA A 10 -7.142 13.397 -2.637 1.00 0.00 C ATOM 133 C ALA A 10 -5.671 13.075 -2.389 1.00 0.00 C ATOM 134 O ALA A 10 -4.819 13.353 -3.228 1.00 0.00 O ATOM 135 CB ALA A 10 -7.538 14.661 -1.894 1.00 0.00 C ATOM 0 H ALA A 10 -8.564 12.490 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.278 13.555 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.899 15.485 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.578 14.903 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.422 14.504 -0.822 1.00 0.00 H new ATOM 141 N ASP A 11 -5.381 12.470 -1.240 1.00 0.00 N ATOM 142 CA ASP A 11 -4.013 12.087 -0.894 1.00 0.00 C ATOM 143 C ASP A 11 -3.516 10.981 -1.805 1.00 0.00 C ATOM 144 O ASP A 11 -2.373 11.006 -2.266 1.00 0.00 O ATOM 145 CB ASP A 11 -3.919 11.637 0.566 1.00 0.00 C ATOM 146 CG ASP A 11 -3.777 12.794 1.532 1.00 0.00 C ATOM 147 OD1 ASP A 11 -4.797 13.419 1.889 1.00 0.00 O ATOM 148 OD2 ASP A 11 -2.636 13.080 1.949 1.00 0.00 O ATOM 0 H ASP A 11 -6.075 12.234 -0.531 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.382 12.966 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.810 11.064 0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.066 10.968 0.680 1.00 0.00 H new ATOM 153 N ILE A 12 -4.380 10.012 -2.053 1.00 0.00 N ATOM 154 CA ILE A 12 -4.088 8.941 -2.990 1.00 0.00 C ATOM 155 C ILE A 12 -3.747 9.529 -4.358 1.00 0.00 C ATOM 156 O ILE A 12 -2.718 9.201 -4.952 1.00 0.00 O ATOM 157 CB ILE A 12 -5.288 7.968 -3.102 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.245 6.912 -1.992 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.334 7.287 -4.463 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.443 7.457 -0.597 1.00 0.00 C ATOM 0 H ILE A 12 -5.298 9.945 -1.614 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.230 8.378 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.194 8.564 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.015 6.166 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.285 6.398 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.189 6.612 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.430 8.041 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.416 6.719 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.397 6.640 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.659 8.181 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.416 7.944 -0.531 1.00 0.00 H new ATOM 172 N THR A 13 -4.603 10.431 -4.824 1.00 0.00 N ATOM 173 CA THR A 13 -4.395 11.106 -6.094 1.00 0.00 C ATOM 174 C THR A 13 -3.105 11.927 -6.078 1.00 0.00 C ATOM 175 O THR A 13 -2.399 11.989 -7.074 1.00 0.00 O ATOM 176 CB THR A 13 -5.591 12.019 -6.430 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.789 11.236 -6.529 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.367 12.767 -7.732 1.00 0.00 C ATOM 0 H THR A 13 -5.453 10.711 -4.335 1.00 0.00 H new ATOM 0 HA THR A 13 -4.308 10.339 -6.863 1.00 0.00 H new ATOM 0 HB THR A 13 -5.691 12.750 -5.627 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.209 11.168 -5.646 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.228 13.402 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.473 13.385 -7.647 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.238 12.052 -8.545 1.00 0.00 H new ATOM 186 N ALA A 14 -2.800 12.539 -4.937 1.00 0.00 N ATOM 187 CA ALA A 14 -1.596 13.353 -4.796 1.00 0.00 C ATOM 188 C ALA A 14 -0.337 12.543 -5.091 1.00 0.00 C ATOM 189 O ALA A 14 0.455 12.910 -5.959 1.00 0.00 O ATOM 190 CB ALA A 14 -1.527 13.960 -3.403 1.00 0.00 C ATOM 0 H ALA A 14 -3.372 12.486 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.650 14.159 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.624 14.564 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.402 14.588 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.506 13.163 -2.660 1.00 0.00 H new ATOM 196 N ALA A 15 -0.156 11.438 -4.368 1.00 0.00 N ATOM 197 CA ALA A 15 0.998 10.569 -4.582 1.00 0.00 C ATOM 198 C ALA A 15 1.042 10.025 -6.011 1.00 0.00 C ATOM 199 O ALA A 15 2.109 9.955 -6.622 1.00 0.00 O ATOM 200 CB ALA A 15 0.981 9.429 -3.582 1.00 0.00 C ATOM 0 H ALA A 15 -0.791 11.126 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 15 1.898 11.166 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.845 8.786 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.019 9.832 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.067 8.849 -3.708 1.00 0.00 H new ATOM 206 N LEU A 16 -0.118 9.653 -6.538 1.00 0.00 N ATOM 207 CA LEU A 16 -0.213 9.113 -7.893 1.00 0.00 C ATOM 208 C LEU A 16 0.098 10.183 -8.941 1.00 0.00 C ATOM 209 O LEU A 16 0.650 9.886 -10.000 1.00 0.00 O ATOM 210 CB LEU A 16 -1.606 8.525 -8.132 1.00 0.00 C ATOM 211 CG LEU A 16 -1.894 7.230 -7.376 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.376 6.919 -7.415 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.095 6.076 -7.964 1.00 0.00 C ATOM 0 H LEU A 16 -1.010 9.715 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 16 0.529 8.321 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.352 9.268 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.729 8.341 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.591 7.362 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.568 5.993 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.931 7.734 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.697 6.806 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.314 5.163 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.367 5.941 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.030 6.297 -7.892 1.00 0.00 H new ATOM 225 N ALA A 17 -0.251 11.427 -8.633 1.00 0.00 N ATOM 226 CA ALA A 17 -0.006 12.547 -9.533 1.00 0.00 C ATOM 227 C ALA A 17 1.481 12.848 -9.632 1.00 0.00 C ATOM 228 O ALA A 17 1.976 13.261 -10.683 1.00 0.00 O ATOM 229 CB ALA A 17 -0.766 13.778 -9.067 1.00 0.00 C ATOM 0 H ALA A 17 -0.708 11.686 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.364 12.270 -10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.572 14.605 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.834 13.562 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.437 14.051 -8.064 1.00 0.00 H new ATOM 235 N ALA A 18 2.193 12.611 -8.539 1.00 0.00 N ATOM 236 CA ALA A 18 3.632 12.817 -8.500 1.00 0.00 C ATOM 237 C ALA A 18 4.348 11.662 -9.185 1.00 0.00 C ATOM 238 O ALA A 18 5.568 11.665 -9.338 1.00 0.00 O ATOM 239 CB ALA A 18 4.108 12.966 -7.062 1.00 0.00 C ATOM 0 H ALA A 18 1.793 12.274 -7.663 1.00 0.00 H new ATOM 0 HA ALA A 18 3.868 13.736 -9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.187 13.119 -7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.615 13.822 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.864 12.063 -6.502 1.00 0.00 H new ATOM 245 N CYS A 19 3.569 10.678 -9.602 1.00 0.00 N ATOM 246 CA CYS A 19 4.097 9.515 -10.287 1.00 0.00 C ATOM 247 C CYS A 19 3.559 9.446 -11.714 1.00 0.00 C ATOM 248 O CYS A 19 2.829 8.526 -12.077 1.00 0.00 O ATOM 249 CB CYS A 19 3.728 8.249 -9.518 1.00 0.00 C ATOM 250 SG CYS A 19 4.294 8.248 -7.800 1.00 0.00 S ATOM 0 H CYS A 19 2.557 10.665 -9.475 1.00 0.00 H new ATOM 0 HA CYS A 19 5.183 9.597 -10.334 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.645 8.128 -9.534 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.153 7.386 -10.031 1.00 0.00 H new ATOM 0 HG CYS A 19 3.526 9.020 -7.090 1.00 0.00 H new ATOM 256 N LYS A 20 3.890 10.450 -12.513 1.00 0.00 N ATOM 257 CA LYS A 20 3.521 10.455 -13.916 1.00 0.00 C ATOM 258 C LYS A 20 4.724 10.082 -14.769 1.00 0.00 C ATOM 259 O LYS A 20 4.582 9.555 -15.875 1.00 0.00 O ATOM 260 CB LYS A 20 2.980 11.828 -14.324 1.00 0.00 C ATOM 261 CG LYS A 20 2.551 11.894 -15.779 1.00 0.00 C ATOM 262 CD LYS A 20 1.849 13.203 -16.131 1.00 0.00 C ATOM 263 CE LYS A 20 2.823 14.360 -16.350 1.00 0.00 C ATOM 264 NZ LYS A 20 3.451 14.839 -15.088 1.00 0.00 N ATOM 0 H LYS A 20 4.414 11.271 -12.211 1.00 0.00 H new ATOM 0 HA LYS A 20 2.734 9.718 -14.075 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.130 12.079 -13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.747 12.582 -14.143 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.427 11.774 -16.417 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.883 11.060 -15.994 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.255 13.059 -17.033 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.156 13.464 -15.331 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.605 14.044 -17.041 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.295 15.188 -16.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.512 15.877 -15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.874 14.538 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.406 14.437 -15.001 1.00 0.00 H new ATOM 278 N ALA A 21 5.911 10.349 -14.244 1.00 0.00 N ATOM 279 CA ALA A 21 7.144 10.055 -14.953 1.00 0.00 C ATOM 280 C ALA A 21 7.383 8.554 -15.029 1.00 0.00 C ATOM 281 O ALA A 21 7.355 7.854 -14.014 1.00 0.00 O ATOM 282 CB ALA A 21 8.315 10.749 -14.282 1.00 0.00 C ATOM 0 H ALA A 21 6.045 10.771 -13.325 1.00 0.00 H new ATOM 0 HA ALA A 21 7.052 10.433 -15.971 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.233 10.520 -14.824 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.150 11.826 -14.286 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.404 10.400 -13.253 1.00 0.00 H new ATOM 288 N GLU A 22 7.610 8.072 -16.242 1.00 0.00 N ATOM 289 CA GLU A 22 7.844 6.656 -16.479 1.00 0.00 C ATOM 290 C GLU A 22 9.106 6.186 -15.759 1.00 0.00 C ATOM 291 O GLU A 22 10.203 6.691 -16.000 1.00 0.00 O ATOM 292 CB GLU A 22 7.942 6.385 -17.986 1.00 0.00 C ATOM 293 CG GLU A 22 8.940 7.281 -18.703 1.00 0.00 C ATOM 294 CD GLU A 22 8.947 7.071 -20.201 1.00 0.00 C ATOM 295 OE1 GLU A 22 9.616 6.130 -20.669 1.00 0.00 O ATOM 296 OE2 GLU A 22 8.295 7.859 -20.921 1.00 0.00 O ATOM 0 H GLU A 22 7.637 8.647 -17.084 1.00 0.00 H new ATOM 0 HA GLU A 22 7.002 6.092 -16.078 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.224 5.344 -18.142 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.958 6.519 -18.435 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.705 8.323 -18.488 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.939 7.092 -18.310 1.00 0.00 H new ATOM 303 N GLY A 23 8.940 5.226 -14.863 1.00 0.00 N ATOM 304 CA GLY A 23 10.064 4.717 -14.105 1.00 0.00 C ATOM 305 C GLY A 23 10.243 5.434 -12.782 1.00 0.00 C ATOM 306 O GLY A 23 11.179 5.150 -12.034 1.00 0.00 O ATOM 0 H GLY A 23 8.044 4.789 -14.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.922 3.652 -13.921 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.974 4.820 -14.697 1.00 0.00 H new ATOM 310 N SER A 24 9.350 6.367 -12.489 1.00 0.00 N ATOM 311 CA SER A 24 9.423 7.122 -11.252 1.00 0.00 C ATOM 312 C SER A 24 8.097 7.037 -10.502 1.00 0.00 C ATOM 313 O SER A 24 7.448 8.049 -10.234 1.00 0.00 O ATOM 314 CB SER A 24 9.787 8.583 -11.542 1.00 0.00 C ATOM 315 OG SER A 24 9.953 9.328 -10.344 1.00 0.00 O ATOM 0 H SER A 24 8.567 6.618 -13.092 1.00 0.00 H new ATOM 0 HA SER A 24 10.202 6.691 -10.623 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.707 8.621 -12.125 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.006 9.040 -12.150 1.00 0.00 H new ATOM 0 HG SER A 24 9.120 9.309 -9.829 1.00 0.00 H new ATOM 321 N PHE A 25 7.686 5.817 -10.190 1.00 0.00 N ATOM 322 CA PHE A 25 6.478 5.602 -9.415 1.00 0.00 C ATOM 323 C PHE A 25 6.831 5.271 -7.973 1.00 0.00 C ATOM 324 O PHE A 25 7.257 4.157 -7.660 1.00 0.00 O ATOM 325 CB PHE A 25 5.634 4.486 -10.029 1.00 0.00 C ATOM 326 CG PHE A 25 4.999 4.864 -11.341 1.00 0.00 C ATOM 327 CD1 PHE A 25 5.750 4.915 -12.505 1.00 0.00 C ATOM 328 CD2 PHE A 25 3.651 5.170 -11.408 1.00 0.00 C ATOM 329 CE1 PHE A 25 5.168 5.261 -13.707 1.00 0.00 C ATOM 330 CE2 PHE A 25 3.063 5.515 -12.609 1.00 0.00 C ATOM 331 CZ PHE A 25 3.823 5.561 -13.760 1.00 0.00 C ATOM 0 H PHE A 25 8.172 4.963 -10.462 1.00 0.00 H new ATOM 0 HA PHE A 25 5.890 6.520 -9.429 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.261 3.607 -10.178 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.852 4.203 -9.324 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.804 4.681 -12.470 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.052 5.139 -10.510 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.765 5.297 -14.606 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.009 5.749 -12.647 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.365 5.831 -14.700 1.00 0.00 H new ATOM 341 N ASP A 26 6.658 6.250 -7.101 1.00 0.00 N ATOM 342 CA ASP A 26 7.007 6.097 -5.698 1.00 0.00 C ATOM 343 C ASP A 26 5.935 5.311 -4.949 1.00 0.00 C ATOM 344 O ASP A 26 5.085 5.882 -4.264 1.00 0.00 O ATOM 345 CB ASP A 26 7.214 7.467 -5.047 1.00 0.00 C ATOM 346 CG ASP A 26 8.537 8.098 -5.425 1.00 0.00 C ATOM 347 OD1 ASP A 26 9.560 7.754 -4.792 1.00 0.00 O ATOM 348 OD2 ASP A 26 8.566 8.941 -6.349 1.00 0.00 O ATOM 0 H ASP A 26 6.276 7.165 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 26 7.940 5.536 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.402 8.131 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.163 7.362 -3.963 1.00 0.00 H new ATOM 353 N HIS A 27 5.991 3.991 -5.089 1.00 0.00 N ATOM 354 CA HIS A 27 5.032 3.096 -4.442 1.00 0.00 C ATOM 355 C HIS A 27 5.115 3.182 -2.920 1.00 0.00 C ATOM 356 O HIS A 27 4.101 3.081 -2.222 1.00 0.00 O ATOM 357 CB HIS A 27 5.232 1.645 -4.923 1.00 0.00 C ATOM 358 CG HIS A 27 6.621 1.092 -4.753 1.00 0.00 C ATOM 359 ND1 HIS A 27 7.529 1.004 -5.789 1.00 0.00 N ATOM 360 CD2 HIS A 27 7.244 0.569 -3.668 1.00 0.00 C ATOM 361 CE1 HIS A 27 8.644 0.450 -5.347 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.499 0.179 -4.063 1.00 0.00 N ATOM 0 H HIS A 27 6.696 3.512 -5.649 1.00 0.00 H new ATOM 0 HA HIS A 27 4.032 3.421 -4.731 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.536 1.003 -4.384 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.965 1.590 -5.978 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.829 0.476 -2.675 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.526 0.252 -5.937 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.204 -0.250 -3.463 1.00 0.00 H new ATOM 371 N LYS A 28 6.315 3.389 -2.414 1.00 0.00 N ATOM 372 CA LYS A 28 6.522 3.520 -0.985 1.00 0.00 C ATOM 373 C LYS A 28 5.961 4.838 -0.498 1.00 0.00 C ATOM 374 O LYS A 28 5.209 4.876 0.474 1.00 0.00 O ATOM 375 CB LYS A 28 8.005 3.445 -0.664 1.00 0.00 C ATOM 376 CG LYS A 28 8.330 3.676 0.807 1.00 0.00 C ATOM 377 CD LYS A 28 9.805 3.471 1.106 1.00 0.00 C ATOM 378 CE LYS A 28 10.220 2.024 0.900 1.00 0.00 C ATOM 379 NZ LYS A 28 11.657 1.814 1.203 1.00 0.00 N ATOM 0 H LYS A 28 7.164 3.470 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 28 6.006 2.704 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.382 2.466 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.535 4.185 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.041 4.689 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.739 2.996 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.401 4.117 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.013 3.767 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.616 1.378 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.019 1.732 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.902 0.815 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.235 2.411 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.844 2.069 2.194 1.00 0.00 H new ATOM 393 N ALA A 29 6.327 5.914 -1.193 1.00 0.00 N ATOM 394 CA ALA A 29 5.820 7.236 -0.868 1.00 0.00 C ATOM 395 C ALA A 29 4.303 7.222 -0.825 1.00 0.00 C ATOM 396 O ALA A 29 3.697 7.920 -0.031 1.00 0.00 O ATOM 397 CB ALA A 29 6.312 8.272 -1.864 1.00 0.00 C ATOM 0 H ALA A 29 6.972 5.891 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 29 6.198 7.511 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.917 9.252 -1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.401 8.304 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.972 8.005 -2.865 1.00 0.00 H new ATOM 403 N PHE A 30 3.704 6.394 -1.669 1.00 0.00 N ATOM 404 CA PHE A 30 2.261 6.243 -1.703 1.00 0.00 C ATOM 405 C PHE A 30 1.728 5.742 -0.358 1.00 0.00 C ATOM 406 O PHE A 30 0.978 6.454 0.308 1.00 0.00 O ATOM 407 CB PHE A 30 1.862 5.288 -2.837 1.00 0.00 C ATOM 408 CG PHE A 30 0.379 5.115 -3.004 1.00 0.00 C ATOM 409 CD1 PHE A 30 -0.357 6.021 -3.749 1.00 0.00 C ATOM 410 CD2 PHE A 30 -0.279 4.045 -2.419 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.719 5.865 -3.908 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.640 3.883 -2.575 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.363 4.795 -3.320 1.00 0.00 C ATOM 0 H PHE A 30 4.202 5.813 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 30 1.815 7.219 -1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.281 5.658 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.311 4.313 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.141 6.860 -4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.280 3.330 -1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.280 6.579 -4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.140 3.044 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.429 4.671 -3.442 1.00 0.00 H new ATOM 423 N PHE A 31 2.142 4.538 0.062 1.00 0.00 N ATOM 424 CA PHE A 31 1.616 3.939 1.304 1.00 0.00 C ATOM 425 C PHE A 31 1.873 4.837 2.492 1.00 0.00 C ATOM 426 O PHE A 31 1.050 4.940 3.404 1.00 0.00 O ATOM 427 CB PHE A 31 2.200 2.526 1.547 1.00 0.00 C ATOM 428 CG PHE A 31 3.578 2.422 2.162 1.00 0.00 C ATOM 429 CD1 PHE A 31 3.821 2.798 3.473 1.00 0.00 C ATOM 430 CD2 PHE A 31 4.623 1.897 1.422 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.079 2.668 4.027 1.00 0.00 C ATOM 432 CE2 PHE A 31 5.881 1.757 1.973 1.00 0.00 C ATOM 433 CZ PHE A 31 6.111 2.145 3.276 1.00 0.00 C ATOM 0 H PHE A 31 2.828 3.965 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 31 0.538 3.835 1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.506 1.984 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.222 2.005 0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.015 3.198 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.452 1.593 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.255 2.975 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.686 1.343 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.096 2.040 3.707 1.00 0.00 H new ATOM 443 N THR A 32 2.998 5.499 2.462 1.00 0.00 N ATOM 444 CA THR A 32 3.450 6.249 3.594 1.00 0.00 C ATOM 445 C THR A 32 2.855 7.663 3.607 1.00 0.00 C ATOM 446 O THR A 32 2.767 8.292 4.661 1.00 0.00 O ATOM 447 CB THR A 32 4.989 6.230 3.619 1.00 0.00 C ATOM 448 OG1 THR A 32 5.489 6.687 4.885 1.00 0.00 O ATOM 449 CG2 THR A 32 5.588 7.066 2.502 1.00 0.00 C ATOM 0 H THR A 32 3.621 5.532 1.655 1.00 0.00 H new ATOM 0 HA THR A 32 3.094 5.786 4.514 1.00 0.00 H new ATOM 0 HB THR A 32 5.291 5.194 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.469 6.665 4.877 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.676 7.023 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.259 6.676 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.260 8.100 2.605 1.00 0.00 H new ATOM 457 N LYS A 33 2.421 8.149 2.443 1.00 0.00 N ATOM 458 CA LYS A 33 1.781 9.457 2.351 1.00 0.00 C ATOM 459 C LYS A 33 0.272 9.356 2.585 1.00 0.00 C ATOM 460 O LYS A 33 -0.330 10.253 3.171 1.00 0.00 O ATOM 461 CB LYS A 33 2.104 10.114 1.002 1.00 0.00 C ATOM 462 CG LYS A 33 1.258 9.671 -0.174 1.00 0.00 C ATOM 463 CD LYS A 33 0.015 10.541 -0.350 1.00 0.00 C ATOM 464 CE LYS A 33 0.348 12.029 -0.412 1.00 0.00 C ATOM 465 NZ LYS A 33 1.465 12.330 -1.351 1.00 0.00 N ATOM 0 H LYS A 33 2.502 7.656 1.554 1.00 0.00 H new ATOM 0 HA LYS A 33 2.182 10.093 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.000 11.193 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.150 9.917 0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.857 9.707 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.956 8.633 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.502 10.249 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.672 10.360 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.539 12.583 -0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.613 12.380 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.583 13.360 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.345 11.908 -0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.248 11.932 -2.287 1.00 0.00 H new ATOM 479 N VAL A 34 -0.339 8.264 2.129 1.00 0.00 N ATOM 480 CA VAL A 34 -1.768 8.082 2.263 1.00 0.00 C ATOM 481 C VAL A 34 -2.138 7.588 3.660 1.00 0.00 C ATOM 482 O VAL A 34 -3.315 7.487 4.005 1.00 0.00 O ATOM 483 CB VAL A 34 -2.294 7.092 1.211 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.951 7.559 -0.193 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.764 5.689 1.457 1.00 0.00 C ATOM 0 H VAL A 34 0.142 7.494 1.663 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.234 9.054 2.104 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.380 7.059 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.334 6.842 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.404 8.534 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.869 7.637 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.155 5.014 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.675 5.698 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.081 5.348 2.442 1.00 0.00 H new ATOM 495 N GLY A 35 -1.124 7.274 4.455 1.00 0.00 N ATOM 496 CA GLY A 35 -1.359 6.843 5.817 1.00 0.00 C ATOM 497 C GLY A 35 -1.647 5.360 5.921 1.00 0.00 C ATOM 498 O GLY A 35 -2.061 4.875 6.972 1.00 0.00 O ATOM 0 H GLY A 35 -0.142 7.310 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.487 7.083 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.199 7.402 6.230 1.00 0.00 H new ATOM 502 N LEU A 36 -1.389 4.621 4.848 1.00 0.00 N ATOM 503 CA LEU A 36 -1.665 3.189 4.834 1.00 0.00 C ATOM 504 C LEU A 36 -0.536 2.438 5.510 1.00 0.00 C ATOM 505 O LEU A 36 -0.437 1.219 5.421 1.00 0.00 O ATOM 506 CB LEU A 36 -1.871 2.690 3.401 1.00 0.00 C ATOM 507 CG LEU A 36 -2.559 1.329 3.278 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.978 1.402 3.825 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.565 0.865 1.830 1.00 0.00 C ATOM 0 H LEU A 36 -0.992 4.986 3.982 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.586 3.004 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.461 3.428 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.900 2.634 2.910 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.000 0.602 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.455 0.426 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.949 1.692 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.548 2.140 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.058 -0.105 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.102 1.590 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.539 0.777 1.472 1.00 0.00 H new ATOM 521 N ALA A 37 0.326 3.182 6.169 1.00 0.00 N ATOM 522 CA ALA A 37 1.327 2.606 7.037 1.00 0.00 C ATOM 523 C ALA A 37 0.822 2.594 8.481 1.00 0.00 C ATOM 524 O ALA A 37 1.296 1.822 9.310 1.00 0.00 O ATOM 525 CB ALA A 37 2.624 3.383 6.908 1.00 0.00 C ATOM 0 H ALA A 37 0.352 4.200 6.118 1.00 0.00 H new ATOM 0 HA ALA A 37 1.519 1.574 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.377 2.946 7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.973 3.340 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.455 4.422 7.191 1.00 0.00 H new ATOM 531 N ALA A 38 -0.174 3.433 8.759 1.00 0.00 N ATOM 532 CA ALA A 38 -0.721 3.566 10.108 1.00 0.00 C ATOM 533 C ALA A 38 -2.088 2.892 10.216 1.00 0.00 C ATOM 534 O ALA A 38 -2.786 3.024 11.222 1.00 0.00 O ATOM 535 CB ALA A 38 -0.820 5.034 10.488 1.00 0.00 C ATOM 0 H ALA A 38 -0.620 4.033 8.065 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.046 3.066 10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.229 5.123 11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.172 5.485 10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.474 5.549 9.784 1.00 0.00 H new ATOM 541 N LYS A 39 -2.451 2.175 9.164 1.00 0.00 N ATOM 542 CA LYS A 39 -3.705 1.418 9.105 1.00 0.00 C ATOM 543 C LYS A 39 -3.843 0.423 10.255 1.00 0.00 C ATOM 544 O LYS A 39 -2.864 0.047 10.903 1.00 0.00 O ATOM 545 CB LYS A 39 -3.792 0.655 7.773 1.00 0.00 C ATOM 546 CG LYS A 39 -2.440 0.246 7.204 1.00 0.00 C ATOM 547 CD LYS A 39 -1.636 -0.611 8.176 1.00 0.00 C ATOM 548 CE LYS A 39 -0.175 -0.697 7.774 1.00 0.00 C ATOM 549 NZ LYS A 39 0.038 -1.589 6.606 1.00 0.00 N ATOM 0 H LYS A 39 -1.885 2.097 8.319 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.516 2.141 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.399 -0.239 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.309 1.277 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.591 -0.306 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.869 1.140 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.713 -0.192 9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.062 -1.614 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.194 0.301 7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.411 -1.061 8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.057 -1.751 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.438 -2.499 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.355 -1.143 5.753 1.00 0.00 H new ATOM 563 N SER A 40 -5.069 0.002 10.495 1.00 0.00 N ATOM 564 CA SER A 40 -5.339 -1.089 11.408 1.00 0.00 C ATOM 565 C SER A 40 -5.496 -2.373 10.593 1.00 0.00 C ATOM 566 O SER A 40 -5.731 -2.299 9.387 1.00 0.00 O ATOM 567 CB SER A 40 -6.607 -0.793 12.213 1.00 0.00 C ATOM 568 OG SER A 40 -6.503 0.452 12.888 1.00 0.00 O ATOM 0 H SER A 40 -5.902 0.405 10.065 1.00 0.00 H new ATOM 0 HA SER A 40 -4.516 -1.207 12.113 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.470 -0.778 11.547 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.777 -1.590 12.937 1.00 0.00 H new ATOM 0 HG SER A 40 -7.326 0.620 13.394 1.00 0.00 H new ATOM 574 N PRO A 41 -5.341 -3.557 11.217 1.00 0.00 N ATOM 575 CA PRO A 41 -5.431 -4.847 10.515 1.00 0.00 C ATOM 576 C PRO A 41 -6.599 -4.929 9.528 1.00 0.00 C ATOM 577 O PRO A 41 -6.420 -5.336 8.379 1.00 0.00 O ATOM 578 CB PRO A 41 -5.623 -5.839 11.657 1.00 0.00 C ATOM 579 CG PRO A 41 -4.888 -5.232 12.800 1.00 0.00 C ATOM 580 CD PRO A 41 -5.044 -3.739 12.653 1.00 0.00 C ATOM 0 HA PRO A 41 -4.552 -5.030 9.897 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.679 -5.976 11.891 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.222 -6.820 11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.295 -5.574 13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.836 -5.517 12.783 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.850 -3.357 13.280 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.136 -3.211 12.944 1.00 0.00 H new ATOM 588 N ALA A 42 -7.785 -4.512 9.970 1.00 0.00 N ATOM 589 CA ALA A 42 -8.991 -4.594 9.148 1.00 0.00 C ATOM 590 C ALA A 42 -8.886 -3.730 7.892 1.00 0.00 C ATOM 591 O ALA A 42 -9.467 -4.056 6.852 1.00 0.00 O ATOM 592 CB ALA A 42 -10.213 -4.193 9.960 1.00 0.00 C ATOM 0 H ALA A 42 -7.936 -4.113 10.896 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.097 -5.630 8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.103 -4.259 9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.319 -4.863 10.813 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.094 -3.169 10.315 1.00 0.00 H new ATOM 598 N ASP A 43 -8.129 -2.642 7.982 1.00 0.00 N ATOM 599 CA ASP A 43 -7.978 -1.727 6.858 1.00 0.00 C ATOM 600 C ASP A 43 -7.166 -2.397 5.767 1.00 0.00 C ATOM 601 O ASP A 43 -7.497 -2.316 4.593 1.00 0.00 O ATOM 602 CB ASP A 43 -7.286 -0.424 7.274 1.00 0.00 C ATOM 603 CG ASP A 43 -8.035 0.343 8.345 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.281 0.418 8.282 1.00 0.00 O ATOM 605 OD2 ASP A 43 -7.372 0.894 9.251 1.00 0.00 O ATOM 0 H ASP A 43 -7.612 -2.373 8.819 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.975 -1.479 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.284 -0.654 7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.170 0.212 6.397 1.00 0.00 H new ATOM 610 N ILE A 44 -6.113 -3.084 6.172 1.00 0.00 N ATOM 611 CA ILE A 44 -5.250 -3.780 5.233 1.00 0.00 C ATOM 612 C ILE A 44 -5.961 -5.002 4.641 1.00 0.00 C ATOM 613 O ILE A 44 -5.638 -5.447 3.540 1.00 0.00 O ATOM 614 CB ILE A 44 -3.911 -4.165 5.910 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.023 -2.929 6.038 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.168 -5.259 5.152 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.601 -2.324 4.712 1.00 0.00 C ATOM 0 H ILE A 44 -5.834 -3.175 7.149 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.021 -3.108 4.406 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.148 -4.560 6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.554 -2.173 6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.130 -3.195 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.237 -5.491 5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.789 -6.154 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.947 -4.915 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.973 -1.452 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.040 -3.061 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.486 -2.024 4.151 1.00 0.00 H new ATOM 629 N LYS A 45 -6.959 -5.514 5.351 1.00 0.00 N ATOM 630 CA LYS A 45 -7.778 -6.601 4.825 1.00 0.00 C ATOM 631 C LYS A 45 -8.576 -6.126 3.611 1.00 0.00 C ATOM 632 O LYS A 45 -8.608 -6.787 2.574 1.00 0.00 O ATOM 633 CB LYS A 45 -8.721 -7.150 5.899 1.00 0.00 C ATOM 634 CG LYS A 45 -8.001 -7.776 7.086 1.00 0.00 C ATOM 635 CD LYS A 45 -7.083 -8.925 6.677 1.00 0.00 C ATOM 636 CE LYS A 45 -7.832 -10.236 6.456 1.00 0.00 C ATOM 637 NZ LYS A 45 -8.771 -10.188 5.302 1.00 0.00 N ATOM 0 H LYS A 45 -7.220 -5.198 6.285 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.112 -7.406 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.358 -6.342 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.375 -7.896 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.415 -7.011 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.738 -8.142 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.557 -8.654 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.326 -9.071 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.110 -11.037 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.389 -10.485 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.843 -11.133 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.710 -9.885 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.417 -9.513 4.594 1.00 0.00 H new ATOM 651 N LYS A 46 -9.196 -4.958 3.717 1.00 0.00 N ATOM 652 CA LYS A 46 -9.917 -4.413 2.576 1.00 0.00 C ATOM 653 C LYS A 46 -8.920 -3.977 1.503 1.00 0.00 C ATOM 654 O LYS A 46 -9.252 -3.874 0.321 1.00 0.00 O ATOM 655 CB LYS A 46 -10.861 -3.273 2.998 1.00 0.00 C ATOM 656 CG LYS A 46 -10.189 -1.997 3.494 1.00 0.00 C ATOM 657 CD LYS A 46 -9.805 -1.056 2.355 1.00 0.00 C ATOM 658 CE LYS A 46 -11.005 -0.737 1.471 1.00 0.00 C ATOM 659 NZ LYS A 46 -10.743 0.391 0.541 1.00 0.00 N ATOM 0 H LYS A 46 -9.215 -4.383 4.559 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.554 -5.189 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.495 -3.019 2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.517 -3.644 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.861 -1.479 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.296 -2.258 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.397 -0.132 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.019 -1.512 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.274 -1.623 0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.861 -0.493 2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.647 0.778 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.212 1.135 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.186 0.051 -0.269 1.00 0.00 H new ATOM 673 N VAL A 47 -7.683 -3.750 1.924 1.00 0.00 N ATOM 674 CA VAL A 47 -6.607 -3.472 0.993 1.00 0.00 C ATOM 675 C VAL A 47 -6.268 -4.726 0.193 1.00 0.00 C ATOM 676 O VAL A 47 -5.935 -4.634 -0.985 1.00 0.00 O ATOM 677 CB VAL A 47 -5.356 -2.921 1.705 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.189 -2.790 0.743 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.671 -1.572 2.329 1.00 0.00 C ATOM 0 H VAL A 47 -7.404 -3.754 2.905 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.951 -2.697 0.308 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.070 -3.625 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.321 -2.399 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.949 -3.768 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.458 -2.108 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.783 -1.187 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.979 -0.874 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.477 -1.686 3.054 1.00 0.00 H new ATOM 689 N PHE A 48 -6.373 -5.896 0.829 1.00 0.00 N ATOM 690 CA PHE A 48 -6.277 -7.169 0.109 1.00 0.00 C ATOM 691 C PHE A 48 -7.259 -7.167 -1.050 1.00 0.00 C ATOM 692 O PHE A 48 -6.927 -7.570 -2.168 1.00 0.00 O ATOM 693 CB PHE A 48 -6.537 -8.369 1.049 1.00 0.00 C ATOM 694 CG PHE A 48 -7.638 -9.324 0.610 1.00 0.00 C ATOM 695 CD1 PHE A 48 -7.480 -10.149 -0.496 1.00 0.00 C ATOM 696 CD2 PHE A 48 -8.828 -9.394 1.317 1.00 0.00 C ATOM 697 CE1 PHE A 48 -8.483 -11.017 -0.885 1.00 0.00 C ATOM 698 CE2 PHE A 48 -9.833 -10.262 0.933 1.00 0.00 C ATOM 699 CZ PHE A 48 -9.660 -11.074 -0.169 1.00 0.00 C ATOM 0 H PHE A 48 -6.523 -5.988 1.834 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.264 -7.277 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.611 -8.934 1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.787 -7.985 2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.560 -10.112 -1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.972 -8.761 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.345 -11.650 -1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.754 -10.305 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.444 -11.753 -0.470 1.00 0.00 H new ATOM 709 N GLU A 49 -8.464 -6.691 -0.775 1.00 0.00 N ATOM 710 CA GLU A 49 -9.492 -6.598 -1.799 1.00 0.00 C ATOM 711 C GLU A 49 -9.075 -5.632 -2.904 1.00 0.00 C ATOM 712 O GLU A 49 -9.519 -5.759 -4.044 1.00 0.00 O ATOM 713 CB GLU A 49 -10.817 -6.147 -1.192 1.00 0.00 C ATOM 714 CG GLU A 49 -11.265 -6.991 -0.014 1.00 0.00 C ATOM 715 CD GLU A 49 -12.659 -6.639 0.442 1.00 0.00 C ATOM 716 OE1 GLU A 49 -13.621 -7.234 -0.083 1.00 0.00 O ATOM 717 OE2 GLU A 49 -12.802 -5.759 1.314 1.00 0.00 O ATOM 0 H GLU A 49 -8.753 -6.364 0.147 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.620 -7.590 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.725 -5.110 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.588 -6.175 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.230 -8.045 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.569 -6.855 0.814 1.00 0.00 H new ATOM 724 N ILE A 50 -8.231 -4.665 -2.556 1.00 0.00 N ATOM 725 CA ILE A 50 -7.757 -3.681 -3.523 1.00 0.00 C ATOM 726 C ILE A 50 -6.776 -4.282 -4.537 1.00 0.00 C ATOM 727 O ILE A 50 -6.993 -4.146 -5.743 1.00 0.00 O ATOM 728 CB ILE A 50 -7.088 -2.472 -2.847 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.001 -1.874 -1.780 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.757 -1.418 -3.891 1.00 0.00 C ATOM 731 CD1 ILE A 50 -7.351 -0.753 -0.999 1.00 0.00 C ATOM 0 H ILE A 50 -7.862 -4.542 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.651 -3.346 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.170 -2.809 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.907 -1.499 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.305 -2.660 -1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.283 -0.563 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.077 -1.840 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.673 -1.094 -4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.053 -0.372 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.460 -1.129 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.071 0.051 -1.680 1.00 0.00 H new ATOM 743 N ILE A 51 -5.692 -4.936 -4.074 1.00 0.00 N ATOM 744 CA ILE A 51 -4.719 -5.490 -5.020 1.00 0.00 C ATOM 745 C ILE A 51 -5.386 -6.549 -5.860 1.00 0.00 C ATOM 746 O ILE A 51 -5.133 -6.647 -7.058 1.00 0.00 O ATOM 747 CB ILE A 51 -3.403 -6.069 -4.401 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.654 -6.901 -3.128 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.419 -4.950 -4.129 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.542 -6.111 -1.839 1.00 0.00 C ATOM 0 H ILE A 51 -5.477 -5.087 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.393 -4.637 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.977 -6.753 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.649 -7.342 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.941 -7.725 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.507 -5.364 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.181 -4.440 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.860 -4.239 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.733 -6.769 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.539 -5.692 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.274 -5.303 -1.843 1.00 0.00 H new ATOM 762 N ASP A 52 -6.270 -7.323 -5.246 1.00 0.00 N ATOM 763 CA ASP A 52 -6.981 -8.342 -5.987 1.00 0.00 C ATOM 764 C ASP A 52 -8.188 -7.719 -6.677 1.00 0.00 C ATOM 765 O ASP A 52 -9.324 -7.924 -6.248 1.00 0.00 O ATOM 766 CB ASP A 52 -7.459 -9.483 -5.089 1.00 0.00 C ATOM 767 CG ASP A 52 -7.625 -10.779 -5.867 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.215 -10.835 -7.054 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.160 -11.752 -5.312 1.00 0.00 O ATOM 0 H ASP A 52 -6.506 -7.264 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.287 -8.757 -6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.744 -9.633 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.409 -9.211 -4.629 1.00 0.00 H new ATOM 774 N GLN A 53 -7.936 -6.938 -7.723 1.00 0.00 N ATOM 775 CA GLN A 53 -9.005 -6.276 -8.472 1.00 0.00 C ATOM 776 C GLN A 53 -10.082 -7.275 -8.889 1.00 0.00 C ATOM 777 O GLN A 53 -11.277 -7.015 -8.747 1.00 0.00 O ATOM 778 CB GLN A 53 -8.431 -5.568 -9.706 1.00 0.00 C ATOM 779 CG GLN A 53 -9.486 -4.931 -10.603 1.00 0.00 C ATOM 780 CD GLN A 53 -10.272 -3.832 -9.911 1.00 0.00 C ATOM 781 OE1 GLN A 53 -11.288 -4.086 -9.270 1.00 0.00 O ATOM 782 NE2 GLN A 53 -9.822 -2.599 -10.053 1.00 0.00 N ATOM 0 H GLN A 53 -6.998 -6.746 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.465 -5.533 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.734 -4.797 -9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.858 -6.287 -10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.001 -4.520 -11.489 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.176 -5.702 -10.946 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.974 -2.424 -10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.322 -1.821 -9.623 1.00 0.00 H new ATOM 791 N ASP A 54 -9.645 -8.422 -9.377 1.00 0.00 N ATOM 792 CA ASP A 54 -10.571 -9.465 -9.831 1.00 0.00 C ATOM 793 C ASP A 54 -11.119 -10.286 -8.653 1.00 0.00 C ATOM 794 O ASP A 54 -12.146 -10.954 -8.796 1.00 0.00 O ATOM 795 CB ASP A 54 -9.889 -10.392 -10.845 1.00 0.00 C ATOM 796 CG ASP A 54 -9.049 -11.470 -10.195 1.00 0.00 C ATOM 797 OD1 ASP A 54 -8.161 -11.143 -9.381 1.00 0.00 O ATOM 798 OD2 ASP A 54 -9.264 -12.660 -10.488 1.00 0.00 O ATOM 0 H ASP A 54 -8.658 -8.662 -9.472 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.411 -8.966 -10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.650 -10.860 -11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.258 -9.797 -11.505 1.00 0.00 H new ATOM 803 N LYS A 55 -10.446 -10.235 -7.502 1.00 0.00 N ATOM 804 CA LYS A 55 -10.958 -10.850 -6.269 1.00 0.00 C ATOM 805 C LYS A 55 -11.199 -12.361 -6.422 1.00 0.00 C ATOM 806 O LYS A 55 -12.341 -12.833 -6.448 1.00 0.00 O ATOM 807 CB LYS A 55 -12.220 -10.117 -5.785 1.00 0.00 C ATOM 808 CG LYS A 55 -12.882 -10.737 -4.556 1.00 0.00 C ATOM 809 CD LYS A 55 -11.993 -10.667 -3.323 1.00 0.00 C ATOM 810 CE LYS A 55 -11.979 -9.274 -2.713 1.00 0.00 C ATOM 811 NZ LYS A 55 -13.335 -8.850 -2.260 1.00 0.00 N ATOM 0 H LYS A 55 -9.543 -9.774 -7.395 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.188 -10.743 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.960 -9.083 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.945 -10.092 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.821 -10.222 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.128 -11.778 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.344 -11.385 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.977 -10.956 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.292 -9.255 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.602 -8.561 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.260 -8.375 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.744 -8.193 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.948 -9.685 -2.171 1.00 0.00 H new ATOM 825 N SER A 56 -10.114 -13.105 -6.579 1.00 0.00 N ATOM 826 CA SER A 56 -10.182 -14.557 -6.674 1.00 0.00 C ATOM 827 C SER A 56 -9.211 -15.203 -5.682 1.00 0.00 C ATOM 828 O SER A 56 -8.798 -16.351 -5.857 1.00 0.00 O ATOM 829 CB SER A 56 -9.861 -15.011 -8.098 1.00 0.00 C ATOM 830 OG SER A 56 -10.652 -14.311 -9.046 1.00 0.00 O ATOM 0 H SER A 56 -9.170 -12.725 -6.644 1.00 0.00 H new ATOM 0 HA SER A 56 -11.195 -14.873 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.804 -14.844 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.039 -16.082 -8.191 1.00 0.00 H new ATOM 0 HG SER A 56 -10.083 -13.702 -9.561 1.00 0.00 H new ATOM 836 N ASP A 57 -8.826 -14.424 -4.664 1.00 0.00 N ATOM 837 CA ASP A 57 -7.932 -14.873 -3.580 1.00 0.00 C ATOM 838 C ASP A 57 -6.486 -15.003 -4.069 1.00 0.00 C ATOM 839 O ASP A 57 -5.567 -15.274 -3.293 1.00 0.00 O ATOM 840 CB ASP A 57 -8.434 -16.192 -2.971 1.00 0.00 C ATOM 841 CG ASP A 57 -7.627 -16.639 -1.765 1.00 0.00 C ATOM 842 OD1 ASP A 57 -7.715 -15.984 -0.704 1.00 0.00 O ATOM 843 OD2 ASP A 57 -6.904 -17.652 -1.871 1.00 0.00 O ATOM 0 H ASP A 57 -9.127 -13.454 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.945 -14.114 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.478 -16.076 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.401 -16.972 -3.732 1.00 0.00 H new ATOM 848 N PHE A 58 -6.286 -14.764 -5.356 1.00 0.00 N ATOM 849 CA PHE A 58 -4.954 -14.705 -5.939 1.00 0.00 C ATOM 850 C PHE A 58 -4.758 -13.335 -6.559 1.00 0.00 C ATOM 851 O PHE A 58 -5.645 -12.839 -7.247 1.00 0.00 O ATOM 852 CB PHE A 58 -4.764 -15.784 -7.006 1.00 0.00 C ATOM 853 CG PHE A 58 -4.858 -17.187 -6.483 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.004 -17.628 -5.484 1.00 0.00 C ATOM 855 CD2 PHE A 58 -5.798 -18.068 -6.994 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.088 -18.918 -5.003 1.00 0.00 C ATOM 857 CE2 PHE A 58 -5.884 -19.360 -6.518 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.028 -19.786 -5.523 1.00 0.00 C ATOM 0 H PHE A 58 -7.040 -14.606 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.218 -14.880 -5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.515 -15.647 -7.784 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.790 -15.647 -7.476 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.265 -16.954 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.470 -17.740 -7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.420 -19.249 -4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.621 -20.038 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.093 -20.798 -5.151 1.00 0.00 H new ATOM 868 N VAL A 59 -3.621 -12.716 -6.315 1.00 0.00 N ATOM 869 CA VAL A 59 -3.405 -11.344 -6.755 1.00 0.00 C ATOM 870 C VAL A 59 -2.165 -11.230 -7.635 1.00 0.00 C ATOM 871 O VAL A 59 -1.081 -10.926 -7.149 1.00 0.00 O ATOM 872 CB VAL A 59 -3.256 -10.405 -5.550 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.368 -8.975 -5.986 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.276 -10.727 -4.470 1.00 0.00 C ATOM 0 H VAL A 59 -2.834 -13.134 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.278 -11.052 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.266 -10.558 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.260 -8.321 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.583 -8.752 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.342 -8.810 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.144 -10.045 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.282 -10.615 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.134 -11.753 -4.130 1.00 0.00 H new ATOM 884 N GLU A 60 -2.329 -11.462 -8.931 1.00 0.00 N ATOM 885 CA GLU A 60 -1.191 -11.449 -9.847 1.00 0.00 C ATOM 886 C GLU A 60 -0.932 -10.052 -10.411 1.00 0.00 C ATOM 887 O GLU A 60 -1.599 -9.089 -10.026 1.00 0.00 O ATOM 888 CB GLU A 60 -1.396 -12.454 -10.981 1.00 0.00 C ATOM 889 CG GLU A 60 -1.349 -13.899 -10.516 1.00 0.00 C ATOM 890 CD GLU A 60 -1.190 -14.875 -11.661 1.00 0.00 C ATOM 891 OE1 GLU A 60 -0.080 -14.952 -12.228 1.00 0.00 O ATOM 892 OE2 GLU A 60 -2.171 -15.570 -12.000 1.00 0.00 O ATOM 0 H GLU A 60 -3.228 -11.660 -9.370 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.311 -11.742 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.358 -12.263 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.629 -12.298 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.521 -14.025 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.264 -14.131 -9.970 1.00 0.00 H new ATOM 899 N GLU A 61 0.033 -9.947 -11.324 1.00 0.00 N ATOM 900 CA GLU A 61 0.451 -8.654 -11.861 1.00 0.00 C ATOM 901 C GLU A 61 -0.700 -7.939 -12.564 1.00 0.00 C ATOM 902 O GLU A 61 -0.830 -6.717 -12.473 1.00 0.00 O ATOM 903 CB GLU A 61 1.617 -8.828 -12.833 1.00 0.00 C ATOM 904 CG GLU A 61 2.156 -7.505 -13.339 1.00 0.00 C ATOM 905 CD GLU A 61 3.223 -7.658 -14.399 1.00 0.00 C ATOM 906 OE1 GLU A 61 4.348 -8.086 -14.072 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.943 -7.320 -15.568 1.00 0.00 O ATOM 0 H GLU A 61 0.541 -10.744 -11.708 1.00 0.00 H new ATOM 0 HA GLU A 61 0.771 -8.041 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.418 -9.377 -12.339 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.292 -9.432 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.333 -6.917 -13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.566 -6.943 -12.500 1.00 0.00 H new ATOM 914 N ASP A 62 -1.529 -8.705 -13.262 1.00 0.00 N ATOM 915 CA ASP A 62 -2.678 -8.147 -13.969 1.00 0.00 C ATOM 916 C ASP A 62 -3.565 -7.356 -13.024 1.00 0.00 C ATOM 917 O ASP A 62 -4.059 -6.282 -13.371 1.00 0.00 O ATOM 918 CB ASP A 62 -3.495 -9.251 -14.636 1.00 0.00 C ATOM 919 CG ASP A 62 -2.888 -9.716 -15.941 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.127 -9.059 -16.976 1.00 0.00 O ATOM 921 OD2 ASP A 62 -2.166 -10.732 -15.940 1.00 0.00 O ATOM 0 H ASP A 62 -1.428 -9.716 -13.355 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.296 -7.476 -14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.577 -10.098 -13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.507 -8.889 -14.819 1.00 0.00 H new ATOM 926 N GLU A 63 -3.759 -7.884 -11.826 1.00 0.00 N ATOM 927 CA GLU A 63 -4.543 -7.195 -10.818 1.00 0.00 C ATOM 928 C GLU A 63 -3.835 -5.940 -10.345 1.00 0.00 C ATOM 929 O GLU A 63 -4.463 -4.909 -10.174 1.00 0.00 O ATOM 930 CB GLU A 63 -4.839 -8.102 -9.631 1.00 0.00 C ATOM 931 CG GLU A 63 -5.909 -9.131 -9.923 1.00 0.00 C ATOM 932 CD GLU A 63 -5.343 -10.484 -10.271 1.00 0.00 C ATOM 933 OE1 GLU A 63 -4.855 -10.670 -11.402 1.00 0.00 O ATOM 934 OE2 GLU A 63 -5.409 -11.381 -9.403 1.00 0.00 O ATOM 0 H GLU A 63 -3.385 -8.785 -11.530 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.489 -6.912 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.923 -8.613 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.152 -7.492 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.560 -9.228 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.529 -8.779 -10.748 1.00 0.00 H new ATOM 941 N LEU A 64 -2.525 -6.027 -10.167 1.00 0.00 N ATOM 942 CA LEU A 64 -1.731 -4.886 -9.716 1.00 0.00 C ATOM 943 C LEU A 64 -1.725 -3.777 -10.755 1.00 0.00 C ATOM 944 O LEU A 64 -1.395 -2.633 -10.460 1.00 0.00 O ATOM 945 CB LEU A 64 -0.299 -5.311 -9.385 1.00 0.00 C ATOM 946 CG LEU A 64 -0.063 -5.705 -7.927 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.239 -4.499 -7.017 1.00 0.00 C ATOM 948 CD2 LEU A 64 -1.006 -6.825 -7.517 1.00 0.00 C ATOM 0 H LEU A 64 -1.985 -6.877 -10.328 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.195 -4.501 -8.808 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.030 -6.154 -10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.375 -4.492 -9.638 1.00 0.00 H new ATOM 0 HG LEU A 64 0.961 -6.066 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.068 -4.796 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.476 -3.725 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.252 -4.110 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.823 -7.092 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.038 -6.492 -7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.834 -7.695 -8.150 1.00 0.00 H new ATOM 960 N LYS A 65 -2.066 -4.129 -11.978 1.00 0.00 N ATOM 961 CA LYS A 65 -2.196 -3.146 -13.031 1.00 0.00 C ATOM 962 C LYS A 65 -3.419 -2.268 -12.794 1.00 0.00 C ATOM 963 O LYS A 65 -3.342 -1.047 -12.863 1.00 0.00 O ATOM 964 CB LYS A 65 -2.308 -3.842 -14.391 1.00 0.00 C ATOM 965 CG LYS A 65 -1.140 -3.582 -15.331 1.00 0.00 C ATOM 966 CD LYS A 65 0.192 -3.991 -14.722 1.00 0.00 C ATOM 967 CE LYS A 65 1.287 -4.034 -15.778 1.00 0.00 C ATOM 968 NZ LYS A 65 2.602 -4.445 -15.218 1.00 0.00 N ATOM 0 H LYS A 65 -2.258 -5.089 -12.266 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.307 -2.515 -13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.395 -4.916 -14.229 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.228 -3.517 -14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.296 -4.130 -16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.111 -2.523 -15.586 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.468 -3.287 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.096 -4.970 -14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.999 -4.728 -16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.383 -3.050 -16.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.255 -4.672 -15.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.996 -3.667 -14.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.476 -5.283 -14.616 1.00 0.00 H new ATOM 982 N LEU A 66 -4.555 -2.899 -12.537 1.00 0.00 N ATOM 983 CA LEU A 66 -5.812 -2.173 -12.397 1.00 0.00 C ATOM 984 C LEU A 66 -6.241 -2.024 -10.940 1.00 0.00 C ATOM 985 O LEU A 66 -7.317 -1.490 -10.646 1.00 0.00 O ATOM 986 CB LEU A 66 -6.887 -2.863 -13.229 1.00 0.00 C ATOM 987 CG LEU A 66 -6.475 -3.089 -14.683 1.00 0.00 C ATOM 988 CD1 LEU A 66 -7.636 -3.628 -15.499 1.00 0.00 C ATOM 989 CD2 LEU A 66 -5.927 -1.799 -15.285 1.00 0.00 C ATOM 0 H LEU A 66 -4.634 -3.909 -12.421 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.664 -1.159 -12.769 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.128 -3.824 -12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.796 -2.262 -13.206 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.683 -3.838 -14.706 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.316 -3.780 -16.530 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.967 -4.577 -15.078 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.459 -2.914 -15.476 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.638 -1.975 -16.321 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.695 -1.026 -15.249 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.057 -1.473 -14.716 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.398 -2.473 -10.021 1.00 0.00 N ATOM 1002 CA PHE A 67 -5.721 -2.386 -8.602 1.00 0.00 C ATOM 1003 C PHE A 67 -5.836 -0.914 -8.205 1.00 0.00 C ATOM 1004 O PHE A 67 -6.497 -0.566 -7.233 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.688 -3.128 -7.734 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.604 -2.281 -7.116 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -2.504 -1.884 -7.852 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -3.684 -1.897 -5.787 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -1.506 -1.120 -7.279 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -2.689 -1.134 -5.206 1.00 0.00 C ATOM 1011 CZ PHE A 67 -1.599 -0.744 -5.955 1.00 0.00 C ATOM 0 H PHE A 67 -4.494 -2.897 -10.228 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.677 -2.879 -8.427 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.220 -3.641 -6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.215 -3.896 -8.346 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.423 -2.175 -8.889 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.537 -2.198 -5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.653 -0.817 -7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.765 -0.844 -4.168 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.820 -0.146 -5.506 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.180 -0.058 -8.985 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.269 1.387 -8.807 1.00 0.00 C ATOM 1023 C LEU A 68 -6.707 1.841 -9.001 1.00 0.00 C ATOM 1024 O LEU A 68 -7.229 2.650 -8.235 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.380 2.135 -9.818 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.880 1.811 -9.813 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.296 1.936 -8.413 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.615 0.432 -10.402 1.00 0.00 C ATOM 0 H LEU A 68 -4.575 -0.346 -9.754 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.927 1.617 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.765 1.935 -10.818 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.494 3.204 -9.641 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.378 2.543 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.232 1.701 -8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.433 2.955 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.804 1.242 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.544 0.229 -10.386 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.136 -0.322 -9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.975 0.400 -11.430 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.342 1.292 -10.029 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.729 1.597 -10.339 1.00 0.00 C ATOM 1042 C GLN A 69 -9.639 1.062 -9.242 1.00 0.00 C ATOM 1043 O GLN A 69 -10.798 1.458 -9.126 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.108 0.986 -11.689 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.316 1.556 -12.855 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.645 0.881 -14.173 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.742 0.357 -14.366 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.700 0.908 -15.099 1.00 0.00 N ATOM 0 H GLN A 69 -6.910 0.625 -10.668 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.851 2.679 -10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.954 -0.092 -11.647 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.171 1.149 -11.867 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.518 2.624 -12.938 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.250 1.448 -12.652 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.804 1.352 -14.900 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.868 0.485 -16.012 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.102 0.146 -8.446 1.00 0.00 N ATOM 1058 CA ASN A 70 -9.828 -0.383 -7.291 1.00 0.00 C ATOM 1059 C ASN A 70 -9.616 0.528 -6.082 1.00 0.00 C ATOM 1060 O ASN A 70 -10.538 0.779 -5.306 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.340 -1.800 -6.962 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.238 -2.550 -5.988 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -10.941 -1.962 -5.164 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -10.207 -3.867 -6.074 1.00 0.00 N ATOM 0 H ASN A 70 -8.170 -0.247 -8.576 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.890 -0.421 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.266 -2.372 -7.887 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.336 -1.740 -6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.777 -4.433 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.613 -4.319 -6.769 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.392 1.031 -5.951 1.00 0.00 N ATOM 1072 CA PHE A 71 -7.989 1.822 -4.793 1.00 0.00 C ATOM 1073 C PHE A 71 -8.814 3.102 -4.683 1.00 0.00 C ATOM 1074 O PHE A 71 -9.352 3.414 -3.618 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.498 2.169 -4.889 1.00 0.00 C ATOM 1076 CG PHE A 71 -5.822 2.327 -3.554 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.155 3.368 -2.705 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -4.854 1.421 -3.146 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -5.538 3.504 -1.475 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.235 1.552 -1.919 1.00 0.00 C ATOM 1081 CZ PHE A 71 -4.577 2.595 -1.082 1.00 0.00 C ATOM 0 H PHE A 71 -7.653 0.902 -6.643 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.167 1.226 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.989 1.388 -5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.386 3.094 -5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.906 4.083 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.581 0.603 -3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.808 4.321 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.484 0.839 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.094 2.699 -0.122 1.00 0.00 H new ATOM 1091 N SER A 72 -8.921 3.834 -5.779 1.00 0.00 N ATOM 1092 CA SER A 72 -9.659 5.087 -5.782 1.00 0.00 C ATOM 1093 C SER A 72 -10.610 5.156 -6.975 1.00 0.00 C ATOM 1094 O SER A 72 -10.849 4.146 -7.639 1.00 0.00 O ATOM 1095 CB SER A 72 -8.681 6.261 -5.793 1.00 0.00 C ATOM 1096 OG SER A 72 -7.733 6.123 -6.837 1.00 0.00 O ATOM 0 H SER A 72 -8.507 3.583 -6.677 1.00 0.00 H new ATOM 0 HA SER A 72 -10.263 5.142 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.230 7.195 -5.916 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.166 6.318 -4.834 1.00 0.00 H new ATOM 0 HG SER A 72 -7.119 6.887 -6.825 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.161 6.333 -7.241 1.00 0.00 N ATOM 1103 CA ALA A 73 -12.093 6.496 -8.349 1.00 0.00 C ATOM 1104 C ALA A 73 -11.351 6.548 -9.680 1.00 0.00 C ATOM 1105 O ALA A 73 -11.748 5.904 -10.657 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.928 7.754 -8.154 1.00 0.00 C ATOM 0 H ALA A 73 -10.980 7.184 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.759 5.633 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.620 7.864 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.491 7.677 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.272 8.623 -8.110 1.00 0.00 H new ATOM 1112 N GLY A 74 -10.260 7.295 -9.706 1.00 0.00 N ATOM 1113 CA GLY A 74 -9.480 7.433 -10.916 1.00 0.00 C ATOM 1114 C GLY A 74 -7.995 7.477 -10.629 1.00 0.00 C ATOM 1115 O GLY A 74 -7.451 8.528 -10.284 1.00 0.00 O ATOM 0 H GLY A 74 -9.899 7.812 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.696 6.599 -11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.776 8.344 -11.437 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.341 6.336 -10.762 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.920 6.238 -10.479 1.00 0.00 C ATOM 1121 C ALA A 75 -5.151 5.737 -11.696 1.00 0.00 C ATOM 1122 O ALA A 75 -5.721 5.128 -12.601 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.687 5.330 -9.287 1.00 0.00 C ATOM 0 H ALA A 75 -7.773 5.463 -11.065 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.549 7.234 -10.239 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.618 5.264 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.198 5.737 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.077 4.336 -9.505 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.852 5.995 -11.697 1.00 0.00 N ATOM 1130 CA ARG A 76 -2.992 5.658 -12.819 1.00 0.00 C ATOM 1131 C ARG A 76 -2.432 4.250 -12.675 1.00 0.00 C ATOM 1132 O ARG A 76 -1.808 3.930 -11.666 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.841 6.659 -12.906 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.304 8.094 -13.095 1.00 0.00 C ATOM 1135 CD ARG A 76 -1.163 9.083 -12.940 1.00 0.00 C ATOM 1136 NE ARG A 76 -1.586 10.445 -13.247 1.00 0.00 N ATOM 1137 CZ ARG A 76 -0.859 11.531 -13.004 1.00 0.00 C ATOM 1138 NH1 ARG A 76 0.340 11.423 -12.442 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -1.337 12.726 -13.318 1.00 0.00 N ATOM 0 H ARG A 76 -3.366 6.443 -10.921 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.588 5.701 -13.731 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.243 6.594 -11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.190 6.382 -13.736 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.748 8.205 -14.084 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.084 8.322 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.781 9.041 -11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.343 8.799 -13.599 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.502 10.573 -13.677 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.707 10.504 -12.195 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.894 12.259 -12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.260 12.810 -13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.782 13.562 -13.133 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.656 3.420 -13.688 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.139 2.057 -13.693 1.00 0.00 C ATOM 1155 C ALA A 77 -0.618 2.055 -13.689 1.00 0.00 C ATOM 1156 O ALA A 77 0.019 2.748 -14.490 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.657 1.289 -14.899 1.00 0.00 C ATOM 0 H ALA A 77 -3.194 3.669 -14.518 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.490 1.563 -12.787 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.259 0.274 -14.883 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.746 1.252 -14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.338 1.789 -15.813 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.043 1.286 -12.780 1.00 0.00 N ATOM 1164 CA LEU A 78 1.402 1.172 -12.680 1.00 0.00 C ATOM 1165 C LEU A 78 1.891 0.088 -13.629 1.00 0.00 C ATOM 1166 O LEU A 78 1.435 -1.054 -13.556 1.00 0.00 O ATOM 1167 CB LEU A 78 1.816 0.819 -11.248 1.00 0.00 C ATOM 1168 CG LEU A 78 1.072 1.566 -10.136 1.00 0.00 C ATOM 1169 CD1 LEU A 78 1.504 1.046 -8.776 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.308 3.065 -10.233 1.00 0.00 C ATOM 0 H LEU A 78 -0.558 0.729 -12.098 1.00 0.00 H new ATOM 0 HA LEU A 78 1.848 2.130 -12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.671 -0.251 -11.101 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.883 1.014 -11.140 1.00 0.00 H new ATOM 0 HG LEU A 78 0.004 1.386 -10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.969 1.584 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.278 -0.018 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.576 1.198 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.769 3.571 -9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.374 3.272 -10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.951 3.428 -11.197 1.00 0.00 H new ATOM 1182 N SER A 79 2.813 0.437 -14.509 1.00 0.00 N ATOM 1183 CA SER A 79 3.332 -0.514 -15.480 1.00 0.00 C ATOM 1184 C SER A 79 4.858 -0.524 -15.455 1.00 0.00 C ATOM 1185 O SER A 79 5.469 0.147 -14.624 1.00 0.00 O ATOM 1186 CB SER A 79 2.826 -0.161 -16.878 1.00 0.00 C ATOM 1187 OG SER A 79 1.410 -0.063 -16.904 1.00 0.00 O ATOM 0 H SER A 79 3.218 1.371 -14.572 1.00 0.00 H new ATOM 0 HA SER A 79 2.978 -1.511 -15.218 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.264 0.784 -17.198 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.153 -0.920 -17.588 1.00 0.00 H new ATOM 0 HG SER A 79 1.114 0.165 -17.810 1.00 0.00 H new ATOM 1193 N ASP A 80 5.457 -1.301 -16.358 1.00 0.00 N ATOM 1194 CA ASP A 80 6.911 -1.386 -16.485 1.00 0.00 C ATOM 1195 C ASP A 80 7.528 -1.986 -15.228 1.00 0.00 C ATOM 1196 O ASP A 80 6.908 -2.823 -14.566 1.00 0.00 O ATOM 1197 CB ASP A 80 7.518 -0.008 -16.790 1.00 0.00 C ATOM 1198 CG ASP A 80 7.076 0.541 -18.133 1.00 0.00 C ATOM 1199 OD1 ASP A 80 6.025 1.210 -18.192 1.00 0.00 O ATOM 1200 OD2 ASP A 80 7.778 0.306 -19.139 1.00 0.00 O ATOM 0 H ASP A 80 4.949 -1.887 -17.020 1.00 0.00 H new ATOM 0 HA ASP A 80 7.139 -2.045 -17.323 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.233 0.692 -16.004 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.605 -0.082 -16.772 1.00 0.00 H new ATOM 1205 N ALA A 81 8.742 -1.573 -14.899 1.00 0.00 N ATOM 1206 CA ALA A 81 9.465 -2.161 -13.781 1.00 0.00 C ATOM 1207 C ALA A 81 8.799 -1.846 -12.444 1.00 0.00 C ATOM 1208 O ALA A 81 9.057 -2.518 -11.444 1.00 0.00 O ATOM 1209 CB ALA A 81 10.913 -1.697 -13.777 1.00 0.00 C ATOM 0 H ALA A 81 9.247 -0.834 -15.389 1.00 0.00 H new ATOM 0 HA ALA A 81 9.442 -3.243 -13.911 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.437 -2.147 -12.934 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.395 -1.999 -14.707 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.947 -0.611 -13.687 1.00 0.00 H new ATOM 1215 N GLU A 82 7.933 -0.840 -12.438 1.00 0.00 N ATOM 1216 CA GLU A 82 7.262 -0.404 -11.221 1.00 0.00 C ATOM 1217 C GLU A 82 6.422 -1.531 -10.673 1.00 0.00 C ATOM 1218 O GLU A 82 6.527 -1.886 -9.502 1.00 0.00 O ATOM 1219 CB GLU A 82 6.357 0.794 -11.493 1.00 0.00 C ATOM 1220 CG GLU A 82 6.944 1.787 -12.469 1.00 0.00 C ATOM 1221 CD GLU A 82 8.309 2.291 -12.043 1.00 0.00 C ATOM 1222 OE1 GLU A 82 8.382 3.089 -11.085 1.00 0.00 O ATOM 1223 OE2 GLU A 82 9.317 1.879 -12.653 1.00 0.00 O ATOM 0 H GLU A 82 7.678 -0.308 -13.270 1.00 0.00 H new ATOM 0 HA GLU A 82 8.026 -0.114 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.403 0.437 -11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.149 1.302 -10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.024 1.321 -13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.265 2.633 -12.572 1.00 0.00 H new ATOM 1230 N THR A 83 5.590 -2.097 -11.538 1.00 0.00 N ATOM 1231 CA THR A 83 4.752 -3.211 -11.136 1.00 0.00 C ATOM 1232 C THR A 83 5.615 -4.374 -10.692 1.00 0.00 C ATOM 1233 O THR A 83 5.288 -5.047 -9.743 1.00 0.00 O ATOM 1234 CB THR A 83 3.830 -3.708 -12.259 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.526 -2.644 -13.167 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.540 -4.265 -11.673 1.00 0.00 C ATOM 0 H THR A 83 5.480 -1.805 -12.509 1.00 0.00 H new ATOM 0 HA THR A 83 4.129 -2.842 -10.321 1.00 0.00 H new ATOM 0 HB THR A 83 4.348 -4.498 -12.802 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.625 -2.304 -12.983 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.895 -4.614 -12.479 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.772 -5.097 -11.008 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.028 -3.483 -11.111 1.00 0.00 H new ATOM 1244 N LYS A 84 6.728 -4.588 -11.381 1.00 0.00 N ATOM 1245 CA LYS A 84 7.623 -5.696 -11.069 1.00 0.00 C ATOM 1246 C LYS A 84 8.203 -5.576 -9.660 1.00 0.00 C ATOM 1247 O LYS A 84 8.042 -6.476 -8.837 1.00 0.00 O ATOM 1248 CB LYS A 84 8.745 -5.772 -12.109 1.00 0.00 C ATOM 1249 CG LYS A 84 9.943 -6.599 -11.666 1.00 0.00 C ATOM 1250 CD LYS A 84 11.015 -6.690 -12.746 1.00 0.00 C ATOM 1251 CE LYS A 84 10.753 -7.816 -13.741 1.00 0.00 C ATOM 1252 NZ LYS A 84 9.549 -7.582 -14.581 1.00 0.00 N ATOM 0 H LYS A 84 7.034 -4.007 -12.162 1.00 0.00 H new ATOM 0 HA LYS A 84 7.041 -6.617 -11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.345 -6.195 -13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.080 -4.761 -12.342 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.373 -6.158 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.611 -7.603 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.067 -5.742 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.986 -6.844 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.623 -7.932 -14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.633 -8.753 -13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.672 -8.050 -15.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.711 -7.972 -14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.420 -6.560 -14.726 1.00 0.00 H new ATOM 1266 N VAL A 85 8.860 -4.458 -9.378 1.00 0.00 N ATOM 1267 CA VAL A 85 9.527 -4.275 -8.093 1.00 0.00 C ATOM 1268 C VAL A 85 8.509 -4.130 -6.955 1.00 0.00 C ATOM 1269 O VAL A 85 8.741 -4.593 -5.835 1.00 0.00 O ATOM 1270 CB VAL A 85 10.487 -3.059 -8.122 1.00 0.00 C ATOM 1271 CG1 VAL A 85 9.742 -1.773 -8.441 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.251 -2.929 -6.812 1.00 0.00 C ATOM 0 H VAL A 85 8.946 -3.668 -10.017 1.00 0.00 H new ATOM 0 HA VAL A 85 10.122 -5.169 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 85 11.210 -3.234 -8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.444 -0.939 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.266 -1.861 -9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.981 -1.595 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.916 -2.067 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.546 -2.795 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.839 -3.831 -6.642 1.00 0.00 H new ATOM 1282 N PHE A 86 7.373 -3.512 -7.253 1.00 0.00 N ATOM 1283 CA PHE A 86 6.321 -3.326 -6.263 1.00 0.00 C ATOM 1284 C PHE A 86 5.559 -4.635 -6.038 1.00 0.00 C ATOM 1285 O PHE A 86 5.101 -4.917 -4.932 1.00 0.00 O ATOM 1286 CB PHE A 86 5.390 -2.185 -6.708 1.00 0.00 C ATOM 1287 CG PHE A 86 4.173 -1.993 -5.849 1.00 0.00 C ATOM 1288 CD1 PHE A 86 4.297 -1.596 -4.528 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.904 -2.186 -6.370 1.00 0.00 C ATOM 1290 CE1 PHE A 86 3.179 -1.396 -3.743 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.783 -1.991 -5.588 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.921 -1.596 -4.272 1.00 0.00 C ATOM 0 H PHE A 86 7.157 -3.131 -8.174 1.00 0.00 H new ATOM 0 HA PHE A 86 6.764 -3.046 -5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.959 -1.255 -6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.068 -2.376 -7.732 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.279 -1.441 -4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.790 -2.492 -7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.289 -1.083 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.799 -2.147 -6.005 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.046 -1.444 -3.658 1.00 0.00 H new ATOM 1302 N LEU A 87 5.458 -5.447 -7.084 1.00 0.00 N ATOM 1303 CA LEU A 87 4.850 -6.769 -6.984 1.00 0.00 C ATOM 1304 C LEU A 87 5.751 -7.680 -6.168 1.00 0.00 C ATOM 1305 O LEU A 87 5.294 -8.395 -5.284 1.00 0.00 O ATOM 1306 CB LEU A 87 4.640 -7.371 -8.378 1.00 0.00 C ATOM 1307 CG LEU A 87 3.799 -8.645 -8.448 1.00 0.00 C ATOM 1308 CD1 LEU A 87 2.328 -8.332 -8.220 1.00 0.00 C ATOM 1309 CD2 LEU A 87 3.998 -9.327 -9.793 1.00 0.00 C ATOM 0 H LEU A 87 5.792 -5.211 -8.018 1.00 0.00 H new ATOM 0 HA LEU A 87 3.881 -6.673 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.170 -6.616 -9.009 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.618 -7.583 -8.809 1.00 0.00 H new ATOM 0 HG LEU A 87 4.127 -9.322 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.747 -9.253 -8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.200 -7.880 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.981 -7.639 -8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.395 -10.234 -9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.692 -8.652 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.050 -9.585 -9.918 1.00 0.00 H new ATOM 1321 N LYS A 88 7.046 -7.626 -6.457 1.00 0.00 N ATOM 1322 CA LYS A 88 8.022 -8.444 -5.753 1.00 0.00 C ATOM 1323 C LYS A 88 8.202 -7.991 -4.314 1.00 0.00 C ATOM 1324 O LYS A 88 8.709 -8.741 -3.482 1.00 0.00 O ATOM 1325 CB LYS A 88 9.360 -8.449 -6.494 1.00 0.00 C ATOM 1326 CG LYS A 88 9.460 -9.545 -7.537 1.00 0.00 C ATOM 1327 CD LYS A 88 9.706 -10.887 -6.872 1.00 0.00 C ATOM 1328 CE LYS A 88 9.756 -12.023 -7.880 1.00 0.00 C ATOM 1329 NZ LYS A 88 8.410 -12.346 -8.420 1.00 0.00 N ATOM 0 H LYS A 88 7.444 -7.022 -7.176 1.00 0.00 H new ATOM 0 HA LYS A 88 7.638 -9.464 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.504 -7.482 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.168 -8.569 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.541 -9.585 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.270 -9.322 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.645 -10.851 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.917 -11.082 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.420 -11.751 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.179 -12.909 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.436 -13.277 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.719 -12.365 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.131 -11.623 -9.113 1.00 0.00 H new ATOM 1343 N ALA A 89 7.776 -6.773 -4.017 1.00 0.00 N ATOM 1344 CA ALA A 89 7.779 -6.292 -2.646 1.00 0.00 C ATOM 1345 C ALA A 89 6.756 -7.063 -1.817 1.00 0.00 C ATOM 1346 O ALA A 89 6.907 -7.216 -0.605 1.00 0.00 O ATOM 1347 CB ALA A 89 7.501 -4.796 -2.600 1.00 0.00 C ATOM 0 H ALA A 89 7.426 -6.104 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 89 8.767 -6.461 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.508 -4.456 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.271 -4.266 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.525 -4.593 -3.042 1.00 0.00 H new ATOM 1353 N GLY A 90 5.722 -7.559 -2.486 1.00 0.00 N ATOM 1354 CA GLY A 90 4.711 -8.357 -1.823 1.00 0.00 C ATOM 1355 C GLY A 90 4.758 -9.796 -2.274 1.00 0.00 C ATOM 1356 O GLY A 90 3.917 -10.607 -1.900 1.00 0.00 O ATOM 0 H GLY A 90 5.566 -7.420 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.857 -8.308 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.725 -7.942 -2.030 1.00 0.00 H new ATOM 1360 N ASP A 91 5.710 -10.098 -3.132 1.00 0.00 N ATOM 1361 CA ASP A 91 5.977 -11.469 -3.515 1.00 0.00 C ATOM 1362 C ASP A 91 7.239 -11.949 -2.808 1.00 0.00 C ATOM 1363 O ASP A 91 8.318 -11.981 -3.403 1.00 0.00 O ATOM 1364 CB ASP A 91 6.143 -11.591 -5.026 1.00 0.00 C ATOM 1365 CG ASP A 91 6.204 -13.030 -5.473 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.465 -13.861 -4.912 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.977 -13.335 -6.405 1.00 0.00 O ATOM 0 H ASP A 91 6.315 -9.409 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 91 5.131 -12.089 -3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.312 -11.092 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.054 -11.077 -5.333 1.00 0.00 H new ATOM 1372 N SER A 92 7.118 -12.312 -1.543 1.00 0.00 N ATOM 1373 CA SER A 92 8.288 -12.629 -0.739 1.00 0.00 C ATOM 1374 C SER A 92 8.595 -14.114 -0.815 1.00 0.00 C ATOM 1375 O SER A 92 9.738 -14.537 -0.642 1.00 0.00 O ATOM 1376 CB SER A 92 8.068 -12.199 0.712 1.00 0.00 C ATOM 1377 OG SER A 92 7.768 -10.813 0.789 1.00 0.00 O ATOM 0 H SER A 92 6.228 -12.395 -1.052 1.00 0.00 H new ATOM 0 HA SER A 92 9.142 -12.080 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.252 -12.777 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.961 -12.415 1.299 1.00 0.00 H new ATOM 0 HG SER A 92 7.629 -10.560 1.726 1.00 0.00 H new ATOM 1383 N ASP A 93 7.570 -14.905 -1.084 1.00 0.00 N ATOM 1384 CA ASP A 93 7.754 -16.342 -1.251 1.00 0.00 C ATOM 1385 C ASP A 93 8.051 -16.672 -2.710 1.00 0.00 C ATOM 1386 O ASP A 93 8.300 -17.827 -3.064 1.00 0.00 O ATOM 1387 CB ASP A 93 6.534 -17.125 -0.750 1.00 0.00 C ATOM 1388 CG ASP A 93 5.299 -16.921 -1.599 1.00 0.00 C ATOM 1389 OD1 ASP A 93 4.880 -15.757 -1.788 1.00 0.00 O ATOM 1390 OD2 ASP A 93 4.732 -17.924 -2.074 1.00 0.00 O ATOM 0 H ASP A 93 6.608 -14.583 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 93 8.608 -16.646 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.778 -18.187 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.315 -16.825 0.275 1.00 0.00 H new ATOM 1395 N GLY A 94 8.023 -15.638 -3.547 1.00 0.00 N ATOM 1396 CA GLY A 94 8.448 -15.764 -4.930 1.00 0.00 C ATOM 1397 C GLY A 94 7.498 -16.582 -5.778 1.00 0.00 C ATOM 1398 O GLY A 94 7.934 -17.428 -6.562 1.00 0.00 O ATOM 0 H GLY A 94 7.709 -14.703 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.546 -14.769 -5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.436 -16.223 -4.958 1.00 0.00 H new ATOM 1402 N ASP A 95 6.206 -16.335 -5.640 1.00 0.00 N ATOM 1403 CA ASP A 95 5.221 -17.081 -6.403 1.00 0.00 C ATOM 1404 C ASP A 95 4.556 -16.198 -7.465 1.00 0.00 C ATOM 1405 O ASP A 95 3.547 -16.578 -8.059 1.00 0.00 O ATOM 1406 CB ASP A 95 4.192 -17.751 -5.480 1.00 0.00 C ATOM 1407 CG ASP A 95 3.201 -16.798 -4.843 1.00 0.00 C ATOM 1408 OD1 ASP A 95 3.607 -15.934 -4.032 1.00 0.00 O ATOM 1409 OD2 ASP A 95 1.995 -16.949 -5.110 1.00 0.00 O ATOM 0 H ASP A 95 5.818 -15.630 -5.013 1.00 0.00 H new ATOM 0 HA ASP A 95 5.741 -17.879 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.642 -18.497 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.723 -18.283 -4.691 1.00 0.00 H new ATOM 1414 N GLY A 96 5.134 -15.019 -7.698 1.00 0.00 N ATOM 1415 CA GLY A 96 4.774 -14.219 -8.864 1.00 0.00 C ATOM 1416 C GLY A 96 3.513 -13.389 -8.695 1.00 0.00 C ATOM 1417 O GLY A 96 2.812 -13.121 -9.670 1.00 0.00 O ATOM 0 H GLY A 96 5.847 -14.602 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.603 -13.552 -9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.644 -14.883 -9.718 1.00 0.00 H new ATOM 1421 N LYS A 97 3.214 -12.986 -7.473 1.00 0.00 N ATOM 1422 CA LYS A 97 1.985 -12.259 -7.191 1.00 0.00 C ATOM 1423 C LYS A 97 2.104 -11.507 -5.880 1.00 0.00 C ATOM 1424 O LYS A 97 3.123 -11.578 -5.204 1.00 0.00 O ATOM 1425 CB LYS A 97 0.816 -13.234 -7.117 1.00 0.00 C ATOM 1426 CG LYS A 97 0.954 -14.249 -6.001 1.00 0.00 C ATOM 1427 CD LYS A 97 -0.292 -15.114 -5.877 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.496 -15.989 -7.107 1.00 0.00 C ATOM 1429 NZ LYS A 97 0.697 -16.830 -7.398 1.00 0.00 N ATOM 0 H LYS A 97 3.805 -13.149 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 97 1.811 -11.542 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.108 -12.673 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.729 -13.759 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.821 -14.883 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.135 -13.733 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.211 -15.744 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.165 -14.477 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.364 -16.631 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.713 -15.358 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.433 -17.591 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.439 -16.242 -7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.053 -17.245 -6.513 1.00 0.00 H new ATOM 1443 N ILE A 98 1.062 -10.785 -5.530 1.00 0.00 N ATOM 1444 CA ILE A 98 0.986 -10.160 -4.229 1.00 0.00 C ATOM 1445 C ILE A 98 0.273 -11.070 -3.250 1.00 0.00 C ATOM 1446 O ILE A 98 -0.913 -11.374 -3.415 1.00 0.00 O ATOM 1447 CB ILE A 98 0.249 -8.805 -4.270 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.101 -7.757 -4.974 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.106 -8.346 -2.864 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.421 -7.479 -4.294 1.00 0.00 C ATOM 0 H ILE A 98 0.255 -10.616 -6.130 1.00 0.00 H new ATOM 0 HA ILE A 98 2.012 -9.982 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.676 -8.934 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.293 -8.086 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.535 -6.828 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.625 -7.389 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.753 -9.086 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.805 -8.234 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.968 -6.722 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.240 -7.118 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.009 -8.396 -4.253 1.00 0.00 H new ATOM 1462 N GLY A 99 1.000 -11.526 -2.249 1.00 0.00 N ATOM 1463 CA GLY A 99 0.359 -12.168 -1.135 1.00 0.00 C ATOM 1464 C GLY A 99 -0.345 -11.123 -0.310 1.00 0.00 C ATOM 1465 O GLY A 99 0.193 -10.040 -0.108 1.00 0.00 O ATOM 0 H GLY A 99 2.016 -11.463 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.354 -12.913 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.096 -12.694 -0.528 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.545 -11.416 0.146 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.344 -10.446 0.848 1.00 0.00 C ATOM 1471 C VAL A 100 -1.637 -9.919 2.091 1.00 0.00 C ATOM 1472 O VAL A 100 -1.515 -8.706 2.297 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.696 -11.062 1.210 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.531 -11.213 -0.050 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -3.541 -12.412 1.900 1.00 0.00 C ATOM 0 H VAL A 100 -1.988 -12.329 0.039 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.501 -9.592 0.189 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.196 -10.395 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.496 -11.652 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.686 -10.234 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.011 -11.862 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.526 -12.813 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.019 -13.102 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.967 -12.288 2.818 1.00 0.00 H new ATOM 1485 N ASP A 101 -1.129 -10.832 2.890 1.00 0.00 N ATOM 1486 CA ASP A 101 -0.426 -10.472 4.097 1.00 0.00 C ATOM 1487 C ASP A 101 0.998 -10.061 3.751 1.00 0.00 C ATOM 1488 O ASP A 101 1.627 -9.279 4.464 1.00 0.00 O ATOM 1489 CB ASP A 101 -0.453 -11.645 5.069 1.00 0.00 C ATOM 1490 CG ASP A 101 0.092 -11.285 6.435 1.00 0.00 C ATOM 1491 OD1 ASP A 101 -0.672 -10.740 7.258 1.00 0.00 O ATOM 1492 OD2 ASP A 101 1.286 -11.548 6.693 1.00 0.00 O ATOM 0 H ASP A 101 -1.192 -11.836 2.721 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.913 -9.624 4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.478 -12.001 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.130 -12.468 4.655 1.00 0.00 H new ATOM 1497 N GLU A 102 1.486 -10.576 2.623 1.00 0.00 N ATOM 1498 CA GLU A 102 2.780 -10.170 2.089 1.00 0.00 C ATOM 1499 C GLU A 102 2.742 -8.688 1.704 1.00 0.00 C ATOM 1500 O GLU A 102 3.741 -7.974 1.819 1.00 0.00 O ATOM 1501 CB GLU A 102 3.159 -11.007 0.859 1.00 0.00 C ATOM 1502 CG GLU A 102 3.218 -12.514 1.101 1.00 0.00 C ATOM 1503 CD GLU A 102 3.868 -13.274 -0.052 1.00 0.00 C ATOM 1504 OE1 GLU A 102 5.110 -13.266 -0.137 1.00 0.00 O ATOM 1505 OE2 GLU A 102 3.149 -13.898 -0.872 1.00 0.00 O ATOM 0 H GLU A 102 1.001 -11.277 2.062 1.00 0.00 H new ATOM 0 HA GLU A 102 3.531 -10.332 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.438 -10.809 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.131 -10.673 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.775 -12.708 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.207 -12.892 1.255 1.00 0.00 H new ATOM 1512 N PHE A 103 1.577 -8.237 1.244 1.00 0.00 N ATOM 1513 CA PHE A 103 1.375 -6.844 0.865 1.00 0.00 C ATOM 1514 C PHE A 103 1.435 -5.957 2.096 1.00 0.00 C ATOM 1515 O PHE A 103 2.152 -4.956 2.117 1.00 0.00 O ATOM 1516 CB PHE A 103 0.026 -6.671 0.161 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.150 -5.326 -0.489 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.409 -5.069 -1.728 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.871 -4.323 0.136 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.255 -3.838 -2.333 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.028 -3.088 -0.467 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.466 -2.846 -1.701 1.00 0.00 C ATOM 0 H PHE A 103 0.752 -8.825 1.125 1.00 0.00 H new ATOM 0 HA PHE A 103 2.168 -6.552 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.080 -7.447 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.774 -6.822 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.973 -5.842 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.315 -4.506 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.698 -3.652 -3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.592 -2.313 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.589 -1.882 -2.173 1.00 0.00 H new ATOM 1532 N GLY A 104 0.683 -6.335 3.125 1.00 0.00 N ATOM 1533 CA GLY A 104 0.737 -5.608 4.380 1.00 0.00 C ATOM 1534 C GLY A 104 2.156 -5.514 4.907 1.00 0.00 C ATOM 1535 O GLY A 104 2.586 -4.463 5.392 1.00 0.00 O ATOM 0 H GLY A 104 0.041 -7.127 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.333 -4.606 4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.106 -6.105 5.117 1.00 0.00 H new ATOM 1539 N ALA A 105 2.891 -6.611 4.759 1.00 0.00 N ATOM 1540 CA ALA A 105 4.271 -6.695 5.209 1.00 0.00 C ATOM 1541 C ALA A 105 5.200 -5.781 4.411 1.00 0.00 C ATOM 1542 O ALA A 105 6.230 -5.356 4.921 1.00 0.00 O ATOM 1543 CB ALA A 105 4.757 -8.131 5.120 1.00 0.00 C ATOM 0 H ALA A 105 2.544 -7.466 4.323 1.00 0.00 H new ATOM 0 HA ALA A 105 4.296 -6.358 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.792 -8.187 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.134 -8.766 5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.695 -8.473 4.087 1.00 0.00 H new ATOM 1549 N MET A 106 4.852 -5.477 3.160 1.00 0.00 N ATOM 1550 CA MET A 106 5.691 -4.589 2.352 1.00 0.00 C ATOM 1551 C MET A 106 5.458 -3.144 2.763 1.00 0.00 C ATOM 1552 O MET A 106 6.341 -2.295 2.644 1.00 0.00 O ATOM 1553 CB MET A 106 5.418 -4.735 0.847 1.00 0.00 C ATOM 1554 CG MET A 106 4.340 -3.792 0.322 1.00 0.00 C ATOM 1555 SD MET A 106 4.405 -3.551 -1.464 1.00 0.00 S ATOM 1556 CE MET A 106 3.766 -5.109 -2.056 1.00 0.00 C ATOM 0 H MET A 106 4.015 -5.823 2.692 1.00 0.00 H new ATOM 0 HA MET A 106 6.727 -4.875 2.533 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.343 -4.554 0.300 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.121 -5.763 0.639 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.360 -4.186 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.442 -2.825 0.815 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.517 -5.598 -2.676 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.523 -5.749 -1.207 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.867 -4.933 -2.646 1.00 0.00 H new ATOM 1566 N ILE A 107 4.256 -2.883 3.250 1.00 0.00 N ATOM 1567 CA ILE A 107 3.866 -1.549 3.650 1.00 0.00 C ATOM 1568 C ILE A 107 4.475 -1.232 4.999 1.00 0.00 C ATOM 1569 O ILE A 107 4.945 -0.127 5.256 1.00 0.00 O ATOM 1570 CB ILE A 107 2.331 -1.433 3.729 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.710 -1.639 2.348 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.924 -0.091 4.303 1.00 0.00 C ATOM 1573 CD1 ILE A 107 0.199 -1.578 2.352 1.00 0.00 C ATOM 0 H ILE A 107 3.530 -3.588 3.377 1.00 0.00 H new ATOM 0 HA ILE A 107 4.227 -0.838 2.907 1.00 0.00 H new ATOM 0 HB ILE A 107 1.961 -2.213 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.095 -0.879 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.026 -2.606 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.837 -0.030 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.337 0.016 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.305 0.708 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.174 -1.732 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.195 -2.356 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.125 -0.602 2.713 1.00 0.00 H new ATOM 1585 N LYS A 108 4.472 -2.233 5.851 1.00 0.00 N ATOM 1586 CA LYS A 108 5.050 -2.109 7.173 1.00 0.00 C ATOM 1587 C LYS A 108 6.572 -2.270 7.104 1.00 0.00 C ATOM 1588 O LYS A 108 7.300 -1.670 7.899 1.00 0.00 O ATOM 1589 CB LYS A 108 4.375 -3.128 8.103 1.00 0.00 C ATOM 1590 CG LYS A 108 5.186 -3.542 9.323 1.00 0.00 C ATOM 1591 CD LYS A 108 6.099 -4.712 8.999 1.00 0.00 C ATOM 1592 CE LYS A 108 6.950 -5.108 10.187 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.938 -6.154 9.827 1.00 0.00 N ATOM 0 H LYS A 108 4.072 -3.150 5.651 1.00 0.00 H new ATOM 0 HA LYS A 108 4.870 -1.115 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.427 -2.711 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.140 -4.022 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.781 -2.698 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.513 -3.816 10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.498 -5.565 8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.745 -4.448 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.471 -4.231 10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.309 -5.473 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.631 -6.256 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.447 -7.059 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.429 -5.881 8.952 1.00 0.00 H new ATOM 1607 N ALA A 109 7.034 -3.049 6.122 1.00 0.00 N ATOM 1608 CA ALA A 109 8.460 -3.275 5.884 1.00 0.00 C ATOM 1609 C ALA A 109 9.170 -3.795 7.132 1.00 0.00 C ATOM 1610 O ALA A 109 8.977 -4.982 7.480 1.00 0.00 O ATOM 1611 CB ALA A 109 9.126 -2.004 5.372 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.939 -3.027 7.748 1.00 0.00 O ATOM 0 H ALA A 109 6.426 -3.542 5.468 1.00 0.00 H new ATOM 0 HA ALA A 109 8.546 -4.046 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.186 -2.192 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.656 -1.698 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.013 -1.211 6.111 1.00 0.00 H new