USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 56 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 140:sc= 0.705 (180deg=-1.63!) USER MOD Single : A 44 SER OG : rot -49:sc= 0.0955 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00684) USER MOD Single : A 64 SER OG : rot 128:sc= 1.23 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -119:sc= -0.517 (180deg=-2.07!) USER MOD Single : A 71 LYS NZ :NH3+ -108:sc= 0.305 (180deg=-2.66!) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 1.17 (180deg=1.02) USER MOD Single : A 76 ASN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 47:sc= 0.111 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.194 K(o=0.19,f=-6!) USER MOD Single : A 92 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.017) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= -0.0101 (180deg=-0.14) USER MOD Single : A 105 GLN : amide:sc= -0.0125 K(o=-0.013,f=-0.87) USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= -0.311 (180deg=-0.752) USER MOD Single : A 114 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 44 13.615 -3.866 7.606 1.00 0.00 N ATOM 77 CA SER A 44 12.854 -4.204 8.800 1.00 0.00 C ATOM 78 C SER A 44 11.722 -3.207 9.009 1.00 0.00 C ATOM 79 O SER A 44 11.149 -3.109 10.095 1.00 0.00 O ATOM 80 CB SER A 44 13.767 -4.214 10.028 1.00 0.00 C ATOM 81 OG SER A 44 13.196 -4.956 11.095 1.00 0.00 O ATOM 0 HA SER A 44 12.429 -5.199 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.733 -4.643 9.761 1.00 0.00 H new ATOM 0 HB3 SER A 44 13.952 -3.190 10.353 1.00 0.00 H new ATOM 0 HG SER A 44 12.269 -4.670 11.233 1.00 0.00 H new ATOM 87 N LYS A 45 11.350 -2.525 7.944 1.00 0.00 N ATOM 88 CA LYS A 45 10.222 -1.623 7.996 1.00 0.00 C ATOM 89 C LYS A 45 8.950 -2.417 7.776 1.00 0.00 C ATOM 90 O LYS A 45 8.820 -3.128 6.776 1.00 0.00 O ATOM 91 CB LYS A 45 10.347 -0.528 6.934 1.00 0.00 C ATOM 92 CG LYS A 45 11.710 0.143 6.899 1.00 0.00 C ATOM 93 CD LYS A 45 12.033 0.832 8.214 1.00 0.00 C ATOM 94 CE LYS A 45 13.482 1.290 8.253 1.00 0.00 C ATOM 95 NZ LYS A 45 13.800 2.051 9.488 1.00 0.00 N ATOM 0 H LYS A 45 11.812 -2.579 7.036 1.00 0.00 H new ATOM 0 HA LYS A 45 10.196 -1.140 8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.140 -0.960 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.585 0.229 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.476 -0.601 6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.735 0.873 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.374 1.690 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.842 0.149 9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.137 0.421 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.687 1.913 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.798 2.342 9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.194 2.895 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.630 1.450 10.320 1.00 0.00 H new ATOM 109 N SER A 46 8.045 -2.345 8.727 1.00 0.00 N ATOM 110 CA SER A 46 6.800 -3.075 8.627 1.00 0.00 C ATOM 111 C SER A 46 5.931 -2.455 7.538 1.00 0.00 C ATOM 112 O SER A 46 5.637 -1.258 7.569 1.00 0.00 O ATOM 113 CB SER A 46 6.076 -3.065 9.972 1.00 0.00 C ATOM 114 OG SER A 46 6.970 -3.343 11.038 1.00 0.00 O ATOM 0 H SER A 46 8.147 -1.790 9.577 1.00 0.00 H new ATOM 0 HA SER A 46 7.007 -4.112 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.609 -2.093 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.276 -3.805 9.963 1.00 0.00 H new ATOM 0 HG SER A 46 6.481 -3.329 11.887 1.00 0.00 H new ATOM 120 N TYR A 47 5.583 -3.261 6.543 1.00 0.00 N ATOM 121 CA TYR A 47 4.809 -2.787 5.401 1.00 0.00 C ATOM 122 C TYR A 47 3.474 -2.206 5.852 1.00 0.00 C ATOM 123 O TYR A 47 3.008 -1.215 5.301 1.00 0.00 O ATOM 124 CB TYR A 47 4.588 -3.917 4.387 1.00 0.00 C ATOM 125 CG TYR A 47 5.829 -4.298 3.601 1.00 0.00 C ATOM 126 CD1 TYR A 47 7.028 -4.551 4.254 1.00 0.00 C ATOM 127 CD2 TYR A 47 5.808 -4.406 2.213 1.00 0.00 C ATOM 128 CE1 TYR A 47 8.167 -4.901 3.552 1.00 0.00 C ATOM 129 CE2 TYR A 47 6.942 -4.756 1.502 1.00 0.00 C ATOM 130 CZ TYR A 47 8.098 -4.994 2.138 1.00 0.00 C ATOM 131 OH TYR A 47 9.257 -5.353 1.480 1.00 0.00 O ATOM 0 H TYR A 47 5.826 -4.251 6.503 1.00 0.00 H new ATOM 0 HA TYR A 47 5.379 -1.995 4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.221 -4.797 4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.807 -3.616 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.072 -4.473 5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.888 -4.213 1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.093 -5.100 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.896 -4.838 0.426 1.00 0.00 H new ATOM 0 HH TYR A 47 9.043 -5.618 0.561 1.00 0.00 H new ATOM 141 N ARG A 48 2.916 -2.780 6.910 1.00 0.00 N ATOM 142 CA ARG A 48 1.673 -2.288 7.500 1.00 0.00 C ATOM 143 C ARG A 48 1.771 -0.804 7.868 1.00 0.00 C ATOM 144 O ARG A 48 0.840 -0.035 7.637 1.00 0.00 O ATOM 145 CB ARG A 48 1.328 -3.133 8.732 1.00 0.00 C ATOM 146 CG ARG A 48 0.349 -2.476 9.692 1.00 0.00 C ATOM 147 CD ARG A 48 -0.144 -3.470 10.727 1.00 0.00 C ATOM 148 NE ARG A 48 -1.262 -4.265 10.225 1.00 0.00 N ATOM 149 CZ ARG A 48 -1.680 -5.407 10.764 1.00 0.00 C ATOM 150 NH1 ARG A 48 -0.998 -5.974 11.753 1.00 0.00 N ATOM 151 NH2 ARG A 48 -2.775 -5.988 10.292 1.00 0.00 N ATOM 0 H ARG A 48 3.307 -3.595 7.383 1.00 0.00 H new ATOM 0 HA ARG A 48 0.877 -2.381 6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.910 -4.083 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.248 -3.361 9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.831 -1.635 10.190 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.498 -2.074 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.673 -4.132 11.014 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.452 -2.936 11.626 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.757 -3.920 9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.148 -5.534 12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.325 -6.850 12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.289 -5.559 9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.103 -6.864 10.699 1.00 0.00 H new ATOM 165 N GLU A 49 2.918 -0.396 8.398 1.00 0.00 N ATOM 166 CA GLU A 49 3.135 1.002 8.752 1.00 0.00 C ATOM 167 C GLU A 49 3.245 1.846 7.497 1.00 0.00 C ATOM 168 O GLU A 49 2.571 2.861 7.349 1.00 0.00 O ATOM 169 CB GLU A 49 4.422 1.153 9.560 1.00 0.00 C ATOM 170 CG GLU A 49 4.590 0.096 10.627 1.00 0.00 C ATOM 171 CD GLU A 49 3.735 0.343 11.853 1.00 0.00 C ATOM 172 OE1 GLU A 49 2.501 0.462 11.702 1.00 0.00 O ATOM 173 OE2 GLU A 49 4.288 0.438 12.971 1.00 0.00 O ATOM 0 H GLU A 49 3.709 -1.010 8.592 1.00 0.00 H new ATOM 0 HA GLU A 49 2.288 1.337 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.274 1.113 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.434 2.137 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.338 -0.878 10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.638 0.054 10.925 1.00 0.00 H new ATOM 180 N LEU A 50 4.130 1.407 6.618 1.00 0.00 N ATOM 181 CA LEU A 50 4.437 2.113 5.385 1.00 0.00 C ATOM 182 C LEU A 50 3.194 2.326 4.534 1.00 0.00 C ATOM 183 O LEU A 50 2.936 3.434 4.062 1.00 0.00 O ATOM 184 CB LEU A 50 5.475 1.315 4.598 1.00 0.00 C ATOM 185 CG LEU A 50 6.942 1.534 4.990 1.00 0.00 C ATOM 186 CD1 LEU A 50 7.119 1.706 6.487 1.00 0.00 C ATOM 187 CD2 LEU A 50 7.763 0.356 4.525 1.00 0.00 C ATOM 0 H LEU A 50 4.660 0.544 6.741 1.00 0.00 H new ATOM 0 HA LEU A 50 4.832 3.096 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.246 0.255 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.364 1.558 3.541 1.00 0.00 H new ATOM 0 HG LEU A 50 7.277 2.453 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.174 1.858 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.547 2.571 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.763 0.813 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.806 0.508 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.392 -0.555 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.685 0.263 3.442 1.00 0.00 H new ATOM 199 N ILE A 51 2.434 1.259 4.334 1.00 0.00 N ATOM 200 CA ILE A 51 1.233 1.327 3.522 1.00 0.00 C ATOM 201 C ILE A 51 0.214 2.257 4.140 1.00 0.00 C ATOM 202 O ILE A 51 -0.318 3.114 3.463 1.00 0.00 O ATOM 203 CB ILE A 51 0.577 -0.050 3.334 1.00 0.00 C ATOM 204 CG1 ILE A 51 1.538 -0.999 2.626 1.00 0.00 C ATOM 205 CG2 ILE A 51 -0.725 0.085 2.548 1.00 0.00 C ATOM 206 CD1 ILE A 51 1.001 -2.401 2.513 1.00 0.00 C ATOM 0 H ILE A 51 2.630 0.337 4.724 1.00 0.00 H new ATOM 0 HA ILE A 51 1.548 1.704 2.549 1.00 0.00 H new ATOM 0 HB ILE A 51 0.343 -0.464 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.750 -0.615 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.484 -1.020 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.178 -0.898 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.412 0.735 3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.516 0.515 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.729 -3.029 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.815 -2.801 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.070 -2.389 1.947 1.00 0.00 H new ATOM 218 N ILE A 52 -0.106 2.041 5.405 1.00 0.00 N ATOM 219 CA ILE A 52 -1.141 2.821 6.060 1.00 0.00 C ATOM 220 C ILE A 52 -0.769 4.299 6.154 1.00 0.00 C ATOM 221 O ILE A 52 -1.578 5.167 5.812 1.00 0.00 O ATOM 222 CB ILE A 52 -1.469 2.257 7.454 1.00 0.00 C ATOM 223 CG1 ILE A 52 -2.295 0.976 7.293 1.00 0.00 C ATOM 224 CG2 ILE A 52 -2.212 3.295 8.278 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.458 0.165 8.557 1.00 0.00 C ATOM 0 H ILE A 52 0.334 1.335 5.996 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.034 2.744 5.440 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.548 2.015 7.984 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.284 1.242 6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.825 0.350 6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.439 2.884 9.262 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.591 4.184 8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.141 3.563 7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.056 -0.722 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.477 -0.138 8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.959 0.768 9.314 1.00 0.00 H new ATOM 237 N GLU A 53 0.469 4.576 6.546 1.00 0.00 N ATOM 238 CA GLU A 53 0.960 5.947 6.622 1.00 0.00 C ATOM 239 C GLU A 53 0.855 6.612 5.255 1.00 0.00 C ATOM 240 O GLU A 53 0.421 7.760 5.129 1.00 0.00 O ATOM 241 CB GLU A 53 2.414 5.952 7.098 1.00 0.00 C ATOM 242 CG GLU A 53 2.944 7.327 7.467 1.00 0.00 C ATOM 243 CD GLU A 53 2.258 7.905 8.684 1.00 0.00 C ATOM 244 OE1 GLU A 53 1.076 8.297 8.582 1.00 0.00 O ATOM 245 OE2 GLU A 53 2.891 7.952 9.756 1.00 0.00 O ATOM 0 H GLU A 53 1.152 3.868 6.817 1.00 0.00 H new ATOM 0 HA GLU A 53 0.352 6.505 7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.503 5.296 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.043 5.531 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.016 7.261 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.809 8.003 6.623 1.00 0.00 H new ATOM 252 N GLY A 54 1.194 5.851 4.230 1.00 0.00 N ATOM 253 CA GLY A 54 1.085 6.332 2.878 1.00 0.00 C ATOM 254 C GLY A 54 -0.348 6.455 2.419 1.00 0.00 C ATOM 255 O GLY A 54 -0.762 7.497 1.921 1.00 0.00 O ATOM 0 H GLY A 54 1.547 4.898 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.572 7.304 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.619 5.655 2.211 1.00 0.00 H new ATOM 259 N LEU A 55 -1.080 5.366 2.560 1.00 0.00 N ATOM 260 CA LEU A 55 -2.459 5.259 2.114 1.00 0.00 C ATOM 261 C LEU A 55 -3.332 6.376 2.686 1.00 0.00 C ATOM 262 O LEU A 55 -4.214 6.898 2.004 1.00 0.00 O ATOM 263 CB LEU A 55 -2.993 3.880 2.513 1.00 0.00 C ATOM 264 CG LEU A 55 -4.416 3.546 2.082 1.00 0.00 C ATOM 265 CD1 LEU A 55 -4.574 3.667 0.587 1.00 0.00 C ATOM 266 CD2 LEU A 55 -4.775 2.141 2.528 1.00 0.00 C ATOM 0 H LEU A 55 -0.727 4.514 2.996 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.493 5.370 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.326 3.124 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.937 3.795 3.598 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.091 4.260 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.599 3.423 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.347 4.688 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.890 2.978 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.794 1.909 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.086 1.428 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.704 2.075 3.614 1.00 0.00 H new ATOM 278 N THR A 56 -3.082 6.744 3.933 1.00 0.00 N ATOM 279 CA THR A 56 -3.849 7.793 4.576 1.00 0.00 C ATOM 280 C THR A 56 -3.434 9.167 4.046 1.00 0.00 C ATOM 281 O THR A 56 -4.257 10.082 3.950 1.00 0.00 O ATOM 282 CB THR A 56 -3.719 7.736 6.120 1.00 0.00 C ATOM 283 OG1 THR A 56 -4.757 8.514 6.731 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.365 8.237 6.598 1.00 0.00 C ATOM 0 H THR A 56 -2.355 6.331 4.517 1.00 0.00 H new ATOM 0 HA THR A 56 -4.899 7.629 4.332 1.00 0.00 H new ATOM 0 HB THR A 56 -3.814 6.691 6.414 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.668 8.471 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.319 8.179 7.685 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.576 7.620 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.228 9.272 6.284 1.00 0.00 H new ATOM 292 N ALA A 57 -2.164 9.292 3.667 1.00 0.00 N ATOM 293 CA ALA A 57 -1.636 10.539 3.131 1.00 0.00 C ATOM 294 C ALA A 57 -2.136 10.787 1.714 1.00 0.00 C ATOM 295 O ALA A 57 -2.704 11.839 1.419 1.00 0.00 O ATOM 296 CB ALA A 57 -0.114 10.520 3.154 1.00 0.00 C ATOM 0 H ALA A 57 -1.480 8.538 3.723 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.992 11.353 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.268 11.458 2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.233 10.398 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.249 9.690 2.548 1.00 0.00 H new ATOM 302 N LEU A 58 -1.939 9.808 0.841 1.00 0.00 N ATOM 303 CA LEU A 58 -2.357 9.929 -0.551 1.00 0.00 C ATOM 304 C LEU A 58 -3.785 9.446 -0.751 1.00 0.00 C ATOM 305 O LEU A 58 -4.123 8.898 -1.799 1.00 0.00 O ATOM 306 CB LEU A 58 -1.402 9.159 -1.468 1.00 0.00 C ATOM 307 CG LEU A 58 -0.972 7.765 -0.988 1.00 0.00 C ATOM 308 CD1 LEU A 58 -2.139 6.792 -0.952 1.00 0.00 C ATOM 309 CD2 LEU A 58 0.126 7.225 -1.877 1.00 0.00 C ATOM 0 H LEU A 58 -1.492 8.920 1.071 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.323 10.986 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.876 9.053 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.506 9.762 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.598 7.869 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.791 5.819 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.904 7.166 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.561 6.693 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.424 6.236 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.238 7.154 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.985 7.895 -1.843 1.00 0.00 H new ATOM 321 N LYS A 59 -4.603 9.607 0.277 1.00 0.00 N ATOM 322 CA LYS A 59 -5.982 9.146 0.246 1.00 0.00 C ATOM 323 C LYS A 59 -6.729 9.724 -0.964 1.00 0.00 C ATOM 324 O LYS A 59 -7.594 9.054 -1.532 1.00 0.00 O ATOM 325 CB LYS A 59 -6.688 9.527 1.555 1.00 0.00 C ATOM 326 CG LYS A 59 -7.151 10.977 1.612 1.00 0.00 C ATOM 327 CD LYS A 59 -6.949 11.609 2.986 1.00 0.00 C ATOM 328 CE LYS A 59 -7.728 10.894 4.085 1.00 0.00 C ATOM 329 NZ LYS A 59 -6.970 9.753 4.668 1.00 0.00 N ATOM 0 H LYS A 59 -4.332 10.058 1.151 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.984 8.060 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.551 8.875 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.011 9.340 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.606 11.557 0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.207 11.027 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.888 11.598 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.257 12.654 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.973 11.605 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.672 10.530 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.115 9.730 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.308 8.862 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.957 9.868 4.463 1.00 0.00 H new ATOM 343 N GLU A 60 -6.372 10.961 -1.348 1.00 0.00 N ATOM 344 CA GLU A 60 -6.980 11.678 -2.486 1.00 0.00 C ATOM 345 C GLU A 60 -8.451 12.022 -2.226 1.00 0.00 C ATOM 346 O GLU A 60 -8.889 13.155 -2.441 1.00 0.00 O ATOM 347 CB GLU A 60 -6.860 10.863 -3.777 1.00 0.00 C ATOM 348 CG GLU A 60 -5.427 10.539 -4.163 1.00 0.00 C ATOM 349 CD GLU A 60 -5.331 9.729 -5.438 1.00 0.00 C ATOM 350 OE1 GLU A 60 -6.374 9.481 -6.078 1.00 0.00 O ATOM 351 OE2 GLU A 60 -4.204 9.338 -5.811 1.00 0.00 O ATOM 0 H GLU A 60 -5.646 11.498 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.428 12.611 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.415 9.932 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.330 11.416 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.870 11.468 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.953 9.987 -3.351 1.00 0.00 H new ATOM 358 N ARG A 61 -9.195 11.027 -1.786 1.00 0.00 N ATOM 359 CA ARG A 61 -10.613 11.151 -1.497 1.00 0.00 C ATOM 360 C ARG A 61 -11.014 10.085 -0.485 1.00 0.00 C ATOM 361 O ARG A 61 -11.882 10.306 0.361 1.00 0.00 O ATOM 362 CB ARG A 61 -11.434 11.008 -2.783 1.00 0.00 C ATOM 363 CG ARG A 61 -11.083 9.772 -3.597 1.00 0.00 C ATOM 364 CD ARG A 61 -11.898 9.688 -4.877 1.00 0.00 C ATOM 365 NE ARG A 61 -13.318 9.449 -4.621 1.00 0.00 N ATOM 366 CZ ARG A 61 -14.239 9.333 -5.583 1.00 0.00 C ATOM 367 NH1 ARG A 61 -13.896 9.466 -6.859 1.00 0.00 N ATOM 368 NH2 ARG A 61 -15.505 9.102 -5.267 1.00 0.00 N ATOM 0 H ARG A 61 -8.826 10.092 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.812 12.137 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.493 10.975 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.284 11.894 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.021 9.788 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.257 8.880 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.784 10.616 -5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.505 8.887 -5.503 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.624 9.366 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.926 9.658 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.603 9.377 -7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.778 9.012 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.206 9.014 -6.002 1.00 0.00 H new ATOM 382 N LYS A 62 -10.283 8.973 -0.511 1.00 0.00 N ATOM 383 CA LYS A 62 -10.474 7.887 0.441 1.00 0.00 C ATOM 384 C LYS A 62 -9.311 6.897 0.348 1.00 0.00 C ATOM 385 O LYS A 62 -8.775 6.459 1.365 1.00 0.00 O ATOM 386 CB LYS A 62 -11.819 7.170 0.210 1.00 0.00 C ATOM 387 CG LYS A 62 -11.956 6.498 -1.151 1.00 0.00 C ATOM 388 CD LYS A 62 -13.321 5.847 -1.317 1.00 0.00 C ATOM 389 CE LYS A 62 -13.393 4.986 -2.569 1.00 0.00 C ATOM 390 NZ LYS A 62 -13.200 5.775 -3.816 1.00 0.00 N ATOM 0 H LYS A 62 -9.543 8.802 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.496 8.313 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.952 6.417 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.626 7.894 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.806 7.236 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.176 5.745 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.539 5.234 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.088 6.620 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.632 4.207 -2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.360 4.485 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.309 5.152 -4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.909 6.534 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.247 6.191 -3.819 1.00 0.00 H new ATOM 404 N GLY A 63 -8.893 6.593 -0.875 1.00 0.00 N ATOM 405 CA GLY A 63 -7.777 5.688 -1.088 1.00 0.00 C ATOM 406 C GLY A 63 -7.171 5.845 -2.470 1.00 0.00 C ATOM 407 O GLY A 63 -7.814 6.389 -3.369 1.00 0.00 O ATOM 0 H GLY A 63 -9.311 6.960 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.012 5.873 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.114 4.660 -0.955 1.00 0.00 H new ATOM 411 N SER A 64 -5.933 5.393 -2.634 1.00 0.00 N ATOM 412 CA SER A 64 -5.236 5.511 -3.909 1.00 0.00 C ATOM 413 C SER A 64 -4.753 4.142 -4.394 1.00 0.00 C ATOM 414 O SER A 64 -4.701 3.179 -3.624 1.00 0.00 O ATOM 415 CB SER A 64 -4.048 6.467 -3.780 1.00 0.00 C ATOM 416 OG SER A 64 -3.600 6.905 -5.053 1.00 0.00 O ATOM 0 H SER A 64 -5.390 4.941 -1.898 1.00 0.00 H new ATOM 0 HA SER A 64 -5.937 5.911 -4.642 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.335 7.328 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.232 5.969 -3.256 1.00 0.00 H new ATOM 0 HG SER A 64 -3.545 7.883 -5.062 1.00 0.00 H new ATOM 422 N SER A 65 -4.435 4.063 -5.681 1.00 0.00 N ATOM 423 CA SER A 65 -3.980 2.828 -6.304 1.00 0.00 C ATOM 424 C SER A 65 -2.638 2.366 -5.728 1.00 0.00 C ATOM 425 O SER A 65 -1.894 3.158 -5.141 1.00 0.00 O ATOM 426 CB SER A 65 -3.863 3.032 -7.816 1.00 0.00 C ATOM 427 OG SER A 65 -5.043 3.627 -8.336 1.00 0.00 O ATOM 0 H SER A 65 -4.486 4.855 -6.322 1.00 0.00 H new ATOM 0 HA SER A 65 -4.713 2.049 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.003 3.665 -8.037 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.688 2.074 -8.305 1.00 0.00 H new ATOM 0 HG SER A 65 -4.948 3.751 -9.303 1.00 0.00 H new ATOM 433 N ARG A 66 -2.342 1.080 -5.903 1.00 0.00 N ATOM 434 CA ARG A 66 -1.104 0.485 -5.398 1.00 0.00 C ATOM 435 C ARG A 66 0.155 1.235 -5.866 1.00 0.00 C ATOM 436 O ARG A 66 1.044 1.483 -5.055 1.00 0.00 O ATOM 437 CB ARG A 66 -1.009 -0.989 -5.796 1.00 0.00 C ATOM 438 CG ARG A 66 -1.980 -1.896 -5.058 1.00 0.00 C ATOM 439 CD ARG A 66 -1.752 -3.351 -5.436 1.00 0.00 C ATOM 440 NE ARG A 66 -2.665 -4.264 -4.744 1.00 0.00 N ATOM 441 CZ ARG A 66 -2.692 -5.580 -4.954 1.00 0.00 C ATOM 442 NH1 ARG A 66 -1.807 -6.138 -5.773 1.00 0.00 N ATOM 443 NH2 ARG A 66 -3.588 -6.339 -4.331 1.00 0.00 N ATOM 0 H ARG A 66 -2.948 0.424 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.145 0.568 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.189 -1.077 -6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.007 -1.338 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.856 -1.771 -3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.005 -1.610 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.876 -3.466 -6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.723 -3.626 -5.203 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.316 -3.871 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.109 -5.559 -6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.826 -7.145 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.258 -5.915 -3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.605 -7.346 -4.494 1.00 0.00 H new ATOM 457 N PRO A 67 0.299 1.551 -7.181 1.00 0.00 N ATOM 458 CA PRO A 67 1.487 2.243 -7.699 1.00 0.00 C ATOM 459 C PRO A 67 1.818 3.510 -6.913 1.00 0.00 C ATOM 460 O PRO A 67 2.978 3.751 -6.579 1.00 0.00 O ATOM 461 CB PRO A 67 1.122 2.590 -9.152 1.00 0.00 C ATOM 462 CG PRO A 67 -0.333 2.296 -9.285 1.00 0.00 C ATOM 463 CD PRO A 67 -0.638 1.238 -8.271 1.00 0.00 C ATOM 0 HA PRO A 67 2.375 1.617 -7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.331 3.638 -9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.707 1.997 -9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.929 3.191 -9.106 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.570 1.951 -10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.675 1.284 -7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.475 0.237 -8.670 1.00 0.00 H new ATOM 471 N ALA A 68 0.792 4.272 -6.556 1.00 0.00 N ATOM 472 CA ALA A 68 0.976 5.476 -5.756 1.00 0.00 C ATOM 473 C ALA A 68 1.558 5.132 -4.392 1.00 0.00 C ATOM 474 O ALA A 68 2.476 5.799 -3.909 1.00 0.00 O ATOM 475 CB ALA A 68 -0.344 6.214 -5.599 1.00 0.00 C ATOM 0 H ALA A 68 -0.177 4.077 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 68 1.680 6.128 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.190 7.111 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.723 6.495 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.067 5.566 -5.104 1.00 0.00 H new ATOM 481 N LEU A 69 1.032 4.076 -3.789 1.00 0.00 N ATOM 482 CA LEU A 69 1.504 3.613 -2.492 1.00 0.00 C ATOM 483 C LEU A 69 2.961 3.157 -2.551 1.00 0.00 C ATOM 484 O LEU A 69 3.771 3.550 -1.710 1.00 0.00 O ATOM 485 CB LEU A 69 0.618 2.473 -1.989 1.00 0.00 C ATOM 486 CG LEU A 69 -0.724 2.905 -1.406 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.641 1.707 -1.212 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.499 3.616 -0.088 1.00 0.00 C ATOM 0 H LEU A 69 0.272 3.520 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 69 1.446 4.452 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.433 1.786 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.165 1.917 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.207 3.588 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.592 2.040 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.816 1.223 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.174 0.998 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.458 3.924 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.001 2.942 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.125 4.495 -0.251 1.00 0.00 H new ATOM 500 N LYS A 70 3.297 2.348 -3.554 1.00 0.00 N ATOM 501 CA LYS A 70 4.665 1.854 -3.709 1.00 0.00 C ATOM 502 C LYS A 70 5.631 3.011 -3.916 1.00 0.00 C ATOM 503 O LYS A 70 6.755 2.997 -3.418 1.00 0.00 O ATOM 504 CB LYS A 70 4.786 0.884 -4.889 1.00 0.00 C ATOM 505 CG LYS A 70 3.766 -0.239 -4.872 1.00 0.00 C ATOM 506 CD LYS A 70 4.276 -1.493 -5.574 1.00 0.00 C ATOM 507 CE LYS A 70 4.638 -1.240 -7.027 1.00 0.00 C ATOM 508 NZ LYS A 70 3.490 -0.719 -7.814 1.00 0.00 N ATOM 0 H LYS A 70 2.646 2.022 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 70 4.919 1.321 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.680 1.444 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.787 0.452 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.512 -0.481 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.849 0.098 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.151 -1.871 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.513 -2.270 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.461 -0.527 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.993 -2.167 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.266 -1.383 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.662 -0.616 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.737 0.207 -8.217 1.00 0.00 H new ATOM 522 N LYS A 71 5.166 4.020 -4.637 1.00 0.00 N ATOM 523 CA LYS A 71 5.959 5.200 -4.916 1.00 0.00 C ATOM 524 C LYS A 71 6.246 5.954 -3.635 1.00 0.00 C ATOM 525 O LYS A 71 7.398 6.257 -3.322 1.00 0.00 O ATOM 526 CB LYS A 71 5.204 6.097 -5.892 1.00 0.00 C ATOM 527 CG LYS A 71 5.871 7.432 -6.151 1.00 0.00 C ATOM 528 CD LYS A 71 5.033 8.287 -7.086 1.00 0.00 C ATOM 529 CE LYS A 71 5.377 9.756 -6.952 1.00 0.00 C ATOM 530 NZ LYS A 71 5.055 10.272 -5.594 1.00 0.00 N ATOM 0 H LYS A 71 4.230 4.041 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 71 6.908 4.898 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.091 5.570 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.201 6.274 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.020 7.957 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.858 7.271 -6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.194 7.967 -8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.976 8.138 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.438 9.902 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.828 10.329 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.223 10.894 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.851 9.474 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.866 10.809 -5.226 1.00 0.00 H new ATOM 544 N PHE A 72 5.185 6.199 -2.885 1.00 0.00 N ATOM 545 CA PHE A 72 5.267 6.898 -1.611 1.00 0.00 C ATOM 546 C PHE A 72 6.283 6.234 -0.685 1.00 0.00 C ATOM 547 O PHE A 72 7.077 6.913 -0.023 1.00 0.00 O ATOM 548 CB PHE A 72 3.894 6.911 -0.936 1.00 0.00 C ATOM 549 CG PHE A 72 3.884 7.603 0.397 1.00 0.00 C ATOM 550 CD1 PHE A 72 3.644 8.959 0.484 1.00 0.00 C ATOM 551 CD2 PHE A 72 4.131 6.890 1.559 1.00 0.00 C ATOM 552 CE1 PHE A 72 3.644 9.600 1.709 1.00 0.00 C ATOM 553 CE2 PHE A 72 4.136 7.524 2.788 1.00 0.00 C ATOM 554 CZ PHE A 72 3.891 8.883 2.864 1.00 0.00 C ATOM 0 H PHE A 72 4.239 5.918 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 72 5.592 7.920 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.179 7.402 -1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.553 5.884 -0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.454 9.526 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.322 5.828 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.451 10.661 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.331 6.959 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.893 9.382 3.822 1.00 0.00 H new ATOM 564 N ILE A 73 6.239 4.909 -0.624 1.00 0.00 N ATOM 565 CA ILE A 73 7.130 4.158 0.242 1.00 0.00 C ATOM 566 C ILE A 73 8.577 4.294 -0.214 1.00 0.00 C ATOM 567 O ILE A 73 9.474 4.463 0.601 1.00 0.00 O ATOM 568 CB ILE A 73 6.738 2.663 0.307 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.318 2.517 0.868 1.00 0.00 C ATOM 570 CG2 ILE A 73 7.730 1.887 1.163 1.00 0.00 C ATOM 571 CD1 ILE A 73 4.829 1.084 0.945 1.00 0.00 C ATOM 0 H ILE A 73 5.594 4.334 -1.166 1.00 0.00 H new ATOM 0 HA ILE A 73 7.033 4.580 1.242 1.00 0.00 H new ATOM 0 HB ILE A 73 6.762 2.251 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.286 2.955 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.632 3.091 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.438 0.837 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.727 1.972 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.736 2.295 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.818 1.066 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.826 0.646 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.491 0.508 1.592 1.00 0.00 H new ATOM 583 N LYS A 74 8.799 4.247 -1.519 1.00 0.00 N ATOM 584 CA LYS A 74 10.148 4.360 -2.065 1.00 0.00 C ATOM 585 C LYS A 74 10.731 5.758 -1.862 1.00 0.00 C ATOM 586 O LYS A 74 11.939 5.910 -1.673 1.00 0.00 O ATOM 587 CB LYS A 74 10.161 3.961 -3.545 1.00 0.00 C ATOM 588 CG LYS A 74 9.831 2.491 -3.757 1.00 0.00 C ATOM 589 CD LYS A 74 9.878 2.084 -5.221 1.00 0.00 C ATOM 590 CE LYS A 74 9.548 0.606 -5.377 1.00 0.00 C ATOM 591 NZ LYS A 74 9.575 0.154 -6.793 1.00 0.00 N ATOM 0 H LYS A 74 8.067 4.132 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 74 10.788 3.669 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.442 4.573 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.144 4.174 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.534 1.880 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.838 2.285 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.170 2.683 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.869 2.286 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.260 0.017 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.560 0.413 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.529 -0.884 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.760 0.553 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.455 0.476 -7.244 1.00 0.00 H new ATOM 605 N GLU A 75 9.873 6.772 -1.872 1.00 0.00 N ATOM 606 CA GLU A 75 10.314 8.145 -1.655 1.00 0.00 C ATOM 607 C GLU A 75 10.744 8.364 -0.206 1.00 0.00 C ATOM 608 O GLU A 75 11.730 9.052 0.063 1.00 0.00 O ATOM 609 CB GLU A 75 9.193 9.128 -1.994 1.00 0.00 C ATOM 610 CG GLU A 75 8.645 8.970 -3.397 1.00 0.00 C ATOM 611 CD GLU A 75 7.506 9.923 -3.690 1.00 0.00 C ATOM 612 OE1 GLU A 75 6.508 9.915 -2.942 1.00 0.00 O ATOM 613 OE2 GLU A 75 7.591 10.664 -4.690 1.00 0.00 O ATOM 0 H GLU A 75 8.870 6.670 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 75 11.168 8.321 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.380 8.998 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.565 10.145 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.447 9.136 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.300 7.945 -3.535 1.00 0.00 H new ATOM 620 N ASN A 76 9.906 7.916 0.719 1.00 0.00 N ATOM 621 CA ASN A 76 10.092 8.231 2.132 1.00 0.00 C ATOM 622 C ASN A 76 10.858 7.142 2.874 1.00 0.00 C ATOM 623 O ASN A 76 11.618 7.437 3.795 1.00 0.00 O ATOM 624 CB ASN A 76 8.733 8.466 2.793 1.00 0.00 C ATOM 625 CG ASN A 76 8.044 9.704 2.253 1.00 0.00 C ATOM 626 OD1 ASN A 76 8.456 10.829 2.536 1.00 0.00 O ATOM 627 ND2 ASN A 76 7.016 9.507 1.446 1.00 0.00 N ATOM 0 H ASN A 76 9.092 7.335 0.519 1.00 0.00 H new ATOM 0 HA ASN A 76 10.692 9.139 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.096 7.597 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.866 8.566 3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.533 10.304 1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.706 8.558 1.237 1.00 0.00 H new ATOM 634 N TYR A 77 10.644 5.884 2.503 1.00 0.00 N ATOM 635 CA TYR A 77 11.300 4.764 3.176 1.00 0.00 C ATOM 636 C TYR A 77 12.108 3.930 2.177 1.00 0.00 C ATOM 637 O TYR A 77 11.717 2.811 1.836 1.00 0.00 O ATOM 638 CB TYR A 77 10.268 3.870 3.882 1.00 0.00 C ATOM 639 CG TYR A 77 9.375 4.601 4.865 1.00 0.00 C ATOM 640 CD1 TYR A 77 8.299 5.363 4.426 1.00 0.00 C ATOM 641 CD2 TYR A 77 9.604 4.522 6.233 1.00 0.00 C ATOM 642 CE1 TYR A 77 7.482 6.030 5.319 1.00 0.00 C ATOM 643 CE2 TYR A 77 8.792 5.187 7.134 1.00 0.00 C ATOM 644 CZ TYR A 77 7.730 5.940 6.670 1.00 0.00 C ATOM 645 OH TYR A 77 6.920 6.616 7.558 1.00 0.00 O ATOM 0 H TYR A 77 10.023 5.613 1.741 1.00 0.00 H new ATOM 0 HA TYR A 77 11.978 5.176 3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.643 3.392 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.795 3.075 4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.098 5.435 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.430 3.931 6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.652 6.620 4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.987 5.118 8.194 1.00 0.00 H new ATOM 0 HH TYR A 77 7.227 6.449 8.473 1.00 0.00 H new ATOM 655 N PRO A 78 13.255 4.457 1.707 1.00 0.00 N ATOM 656 CA PRO A 78 14.119 3.778 0.725 1.00 0.00 C ATOM 657 C PRO A 78 14.588 2.405 1.195 1.00 0.00 C ATOM 658 O PRO A 78 14.930 1.543 0.385 1.00 0.00 O ATOM 659 CB PRO A 78 15.315 4.721 0.580 1.00 0.00 C ATOM 660 CG PRO A 78 14.796 6.050 0.999 1.00 0.00 C ATOM 661 CD PRO A 78 13.802 5.771 2.085 1.00 0.00 C ATOM 0 HA PRO A 78 13.586 3.591 -0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.148 4.405 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.680 4.743 -0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.602 6.689 1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.328 6.569 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.275 5.744 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.025 6.534 2.126 1.00 0.00 H new ATOM 669 N ILE A 79 14.597 2.220 2.509 1.00 0.00 N ATOM 670 CA ILE A 79 15.006 0.964 3.123 1.00 0.00 C ATOM 671 C ILE A 79 14.250 -0.199 2.516 1.00 0.00 C ATOM 672 O ILE A 79 14.824 -1.127 1.953 1.00 0.00 O ATOM 673 CB ILE A 79 14.690 0.951 4.631 1.00 0.00 C ATOM 674 CG1 ILE A 79 15.206 2.215 5.328 1.00 0.00 C ATOM 675 CG2 ILE A 79 15.285 -0.286 5.281 1.00 0.00 C ATOM 676 CD1 ILE A 79 14.234 3.375 5.298 1.00 0.00 C ATOM 0 H ILE A 79 14.321 2.937 3.179 1.00 0.00 H new ATOM 0 HA ILE A 79 16.079 0.871 2.953 1.00 0.00 H new ATOM 0 HB ILE A 79 13.606 0.929 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.439 1.976 6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.138 2.523 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.055 -0.284 6.346 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.862 -1.178 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.366 -0.285 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.673 4.231 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.019 3.643 4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.309 3.088 5.798 1.00 0.00 H new ATOM 688 N VAL A 80 12.946 -0.112 2.645 1.00 0.00 N ATOM 689 CA VAL A 80 12.049 -1.116 2.134 1.00 0.00 C ATOM 690 C VAL A 80 11.715 -0.810 0.687 1.00 0.00 C ATOM 691 O VAL A 80 11.520 -1.710 -0.122 1.00 0.00 O ATOM 692 CB VAL A 80 10.777 -1.161 2.995 1.00 0.00 C ATOM 693 CG1 VAL A 80 9.540 -1.077 2.148 1.00 0.00 C ATOM 694 CG2 VAL A 80 10.747 -2.410 3.856 1.00 0.00 C ATOM 0 H VAL A 80 12.477 0.664 3.111 1.00 0.00 H new ATOM 0 HA VAL A 80 12.527 -2.094 2.178 1.00 0.00 H new ATOM 0 HB VAL A 80 10.796 -0.291 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.658 -1.111 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.546 -0.142 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.517 -1.916 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.837 -2.417 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.768 -3.293 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.615 -2.419 4.515 1.00 0.00 H new ATOM 704 N GLY A 81 11.637 0.478 0.379 1.00 0.00 N ATOM 705 CA GLY A 81 11.310 0.895 -0.961 1.00 0.00 C ATOM 706 C GLY A 81 12.226 0.274 -1.996 1.00 0.00 C ATOM 707 O GLY A 81 11.775 -0.220 -3.028 1.00 0.00 O ATOM 0 H GLY A 81 11.796 1.240 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.278 0.623 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.374 1.981 -1.027 1.00 0.00 H new ATOM 711 N SER A 82 13.513 0.236 -1.683 1.00 0.00 N ATOM 712 CA SER A 82 14.492 -0.382 -2.550 1.00 0.00 C ATOM 713 C SER A 82 14.884 -1.763 -2.029 1.00 0.00 C ATOM 714 O SER A 82 16.002 -2.231 -2.247 1.00 0.00 O ATOM 715 CB SER A 82 15.715 0.523 -2.657 1.00 0.00 C ATOM 716 OG SER A 82 15.340 1.817 -3.101 1.00 0.00 O ATOM 0 H SER A 82 13.901 0.631 -0.826 1.00 0.00 H new ATOM 0 HA SER A 82 14.057 -0.514 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.208 0.594 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.436 0.089 -3.350 1.00 0.00 H new ATOM 0 HG SER A 82 16.136 2.385 -3.162 1.00 0.00 H new ATOM 722 N ALA A 83 13.935 -2.440 -1.395 1.00 0.00 N ATOM 723 CA ALA A 83 14.150 -3.800 -0.928 1.00 0.00 C ATOM 724 C ALA A 83 13.923 -4.780 -2.069 1.00 0.00 C ATOM 725 O ALA A 83 13.176 -4.491 -3.008 1.00 0.00 O ATOM 726 CB ALA A 83 13.247 -4.127 0.255 1.00 0.00 C ATOM 0 H ALA A 83 13.007 -2.067 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 83 15.181 -3.889 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.431 -5.151 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.459 -3.441 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.204 -4.024 -0.044 1.00 0.00 H new ATOM 732 N SER A 84 14.630 -5.893 -2.030 1.00 0.00 N ATOM 733 CA SER A 84 14.540 -6.886 -3.084 1.00 0.00 C ATOM 734 C SER A 84 13.141 -7.490 -3.145 1.00 0.00 C ATOM 735 O SER A 84 12.625 -8.001 -2.145 1.00 0.00 O ATOM 736 CB SER A 84 15.597 -7.966 -2.863 1.00 0.00 C ATOM 737 OG SER A 84 15.886 -8.115 -1.483 1.00 0.00 O ATOM 0 H SER A 84 15.275 -6.133 -1.277 1.00 0.00 H new ATOM 0 HA SER A 84 14.728 -6.403 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.245 -8.914 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.507 -7.706 -3.403 1.00 0.00 H new ATOM 0 HG SER A 84 15.048 -8.155 -0.976 1.00 0.00 H new ATOM 743 N ASN A 85 12.512 -7.339 -4.308 1.00 0.00 N ATOM 744 CA ASN A 85 11.140 -7.786 -4.543 1.00 0.00 C ATOM 745 C ASN A 85 10.154 -7.032 -3.656 1.00 0.00 C ATOM 746 O ASN A 85 9.109 -7.569 -3.295 1.00 0.00 O ATOM 747 CB ASN A 85 10.992 -9.294 -4.316 1.00 0.00 C ATOM 748 CG ASN A 85 11.781 -10.121 -5.310 1.00 0.00 C ATOM 749 OD1 ASN A 85 11.600 -10.003 -6.520 1.00 0.00 O ATOM 750 ND2 ASN A 85 12.661 -10.967 -4.805 1.00 0.00 N ATOM 0 H ASN A 85 12.943 -6.899 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 85 10.911 -7.570 -5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.321 -9.538 -3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.938 -9.564 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.220 -11.552 -5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.781 -11.035 -3.794 1.00 0.00 H new ATOM 757 N PHE A 86 10.453 -5.766 -3.378 1.00 0.00 N ATOM 758 CA PHE A 86 9.552 -4.920 -2.601 1.00 0.00 C ATOM 759 C PHE A 86 8.194 -4.833 -3.279 1.00 0.00 C ATOM 760 O PHE A 86 7.154 -4.951 -2.637 1.00 0.00 O ATOM 761 CB PHE A 86 10.125 -3.508 -2.438 1.00 0.00 C ATOM 762 CG PHE A 86 9.095 -2.499 -2.002 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.475 -2.603 -0.765 1.00 0.00 C ATOM 764 CD2 PHE A 86 8.720 -1.466 -2.845 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.505 -1.696 -0.383 1.00 0.00 C ATOM 766 CE2 PHE A 86 7.755 -0.554 -2.464 1.00 0.00 C ATOM 767 CZ PHE A 86 7.146 -0.671 -1.233 1.00 0.00 C ATOM 0 H PHE A 86 11.311 -5.304 -3.679 1.00 0.00 H new ATOM 0 HA PHE A 86 9.441 -5.371 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.933 -3.532 -1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.561 -3.188 -3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.754 -3.402 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.189 -1.372 -3.814 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.028 -1.790 0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.478 0.250 -3.130 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.389 0.039 -0.935 1.00 0.00 H new ATOM 777 N ASP A 87 8.225 -4.603 -4.582 1.00 0.00 N ATOM 778 CA ASP A 87 7.010 -4.471 -5.378 1.00 0.00 C ATOM 779 C ASP A 87 6.127 -5.705 -5.223 1.00 0.00 C ATOM 780 O ASP A 87 4.928 -5.599 -4.965 1.00 0.00 O ATOM 781 CB ASP A 87 7.364 -4.266 -6.855 1.00 0.00 C ATOM 782 CG ASP A 87 8.013 -2.921 -7.142 1.00 0.00 C ATOM 783 OD1 ASP A 87 9.042 -2.589 -6.511 1.00 0.00 O ATOM 784 OD2 ASP A 87 7.511 -2.196 -8.026 1.00 0.00 O ATOM 0 H ASP A 87 9.087 -4.503 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 87 6.459 -3.602 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.039 -5.061 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.458 -4.359 -7.454 1.00 0.00 H new ATOM 789 N LEU A 88 6.749 -6.873 -5.300 1.00 0.00 N ATOM 790 CA LEU A 88 6.053 -8.143 -5.133 1.00 0.00 C ATOM 791 C LEU A 88 5.531 -8.279 -3.704 1.00 0.00 C ATOM 792 O LEU A 88 4.375 -8.648 -3.480 1.00 0.00 O ATOM 793 CB LEU A 88 7.010 -9.293 -5.495 1.00 0.00 C ATOM 794 CG LEU A 88 6.438 -10.719 -5.444 1.00 0.00 C ATOM 795 CD1 LEU A 88 6.652 -11.345 -4.077 1.00 0.00 C ATOM 796 CD2 LEU A 88 4.963 -10.724 -5.799 1.00 0.00 C ATOM 0 H LEU A 88 7.749 -6.968 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 88 5.191 -8.183 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.388 -9.115 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.865 -9.247 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 88 6.973 -11.316 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.238 -12.353 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.719 -11.390 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.153 -10.742 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.582 -11.744 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.416 -10.102 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.830 -10.329 -6.806 1.00 0.00 H new ATOM 808 N TYR A 89 6.383 -7.960 -2.746 1.00 0.00 N ATOM 809 CA TYR A 89 6.026 -8.043 -1.338 1.00 0.00 C ATOM 810 C TYR A 89 4.867 -7.111 -1.015 1.00 0.00 C ATOM 811 O TYR A 89 3.952 -7.481 -0.281 1.00 0.00 O ATOM 812 CB TYR A 89 7.226 -7.704 -0.458 1.00 0.00 C ATOM 813 CG TYR A 89 8.284 -8.789 -0.400 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.327 -9.799 -1.349 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.253 -8.788 0.597 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.297 -10.777 -1.312 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.228 -9.768 0.644 1.00 0.00 C ATOM 818 CZ TYR A 89 10.244 -10.759 -0.315 1.00 0.00 C ATOM 819 OH TYR A 89 11.217 -11.731 -0.282 1.00 0.00 O ATOM 0 H TYR A 89 7.335 -7.638 -2.918 1.00 0.00 H new ATOM 0 HA TYR A 89 5.716 -9.067 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.684 -6.786 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.874 -7.501 0.554 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.585 -9.820 -2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.244 -8.010 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.313 -11.554 -2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.972 -9.757 1.427 1.00 0.00 H new ATOM 0 HH TYR A 89 11.809 -11.576 0.483 1.00 0.00 H new ATOM 829 N PHE A 90 4.906 -5.911 -1.579 1.00 0.00 N ATOM 830 CA PHE A 90 3.856 -4.924 -1.371 1.00 0.00 C ATOM 831 C PHE A 90 2.507 -5.453 -1.843 1.00 0.00 C ATOM 832 O PHE A 90 1.506 -5.341 -1.133 1.00 0.00 O ATOM 833 CB PHE A 90 4.185 -3.633 -2.120 1.00 0.00 C ATOM 834 CG PHE A 90 3.102 -2.599 -2.014 1.00 0.00 C ATOM 835 CD1 PHE A 90 2.992 -1.813 -0.877 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.215 -2.394 -3.055 1.00 0.00 C ATOM 837 CE1 PHE A 90 2.013 -0.846 -0.781 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.236 -1.426 -2.964 1.00 0.00 C ATOM 839 CZ PHE A 90 1.067 -0.727 -1.803 1.00 0.00 C ATOM 0 H PHE A 90 5.661 -5.596 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 90 3.798 -4.719 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.114 -3.219 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.357 -3.864 -3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.680 -1.959 -0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.289 -2.997 -3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.978 -0.188 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.601 -1.220 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.207 -0.086 -1.675 1.00 0.00 H new ATOM 849 N ASN A 91 2.482 -6.024 -3.043 1.00 0.00 N ATOM 850 CA ASN A 91 1.250 -6.571 -3.603 1.00 0.00 C ATOM 851 C ASN A 91 0.690 -7.659 -2.692 1.00 0.00 C ATOM 852 O ASN A 91 -0.500 -7.663 -2.379 1.00 0.00 O ATOM 853 CB ASN A 91 1.480 -7.128 -5.014 1.00 0.00 C ATOM 854 CG ASN A 91 1.670 -6.036 -6.053 1.00 0.00 C ATOM 855 OD1 ASN A 91 0.816 -5.165 -6.226 1.00 0.00 O ATOM 856 ND2 ASN A 91 2.786 -6.085 -6.762 1.00 0.00 N ATOM 0 H ASN A 91 3.299 -6.120 -3.646 1.00 0.00 H new ATOM 0 HA ASN A 91 0.525 -5.760 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.359 -7.773 -5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.631 -7.749 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.964 -5.385 -7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.469 -6.823 -6.588 1.00 0.00 H new ATOM 863 N ASN A 92 1.577 -8.508 -2.181 1.00 0.00 N ATOM 864 CA ASN A 92 1.190 -9.540 -1.220 1.00 0.00 C ATOM 865 C ASN A 92 0.689 -8.919 0.078 1.00 0.00 C ATOM 866 O ASN A 92 -0.274 -9.401 0.672 1.00 0.00 O ATOM 867 CB ASN A 92 2.360 -10.480 -0.925 1.00 0.00 C ATOM 868 CG ASN A 92 2.531 -11.545 -1.986 1.00 0.00 C ATOM 869 OD1 ASN A 92 1.638 -12.364 -2.207 1.00 0.00 O ATOM 870 ND2 ASN A 92 3.666 -11.535 -2.663 1.00 0.00 N ATOM 0 H ASN A 92 2.570 -8.503 -2.416 1.00 0.00 H new ATOM 0 HA ASN A 92 0.380 -10.116 -1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.278 -9.898 -0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.203 -10.957 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.827 -12.223 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.381 -10.840 -2.449 1.00 0.00 H new ATOM 877 N ALA A 93 1.343 -7.847 0.507 1.00 0.00 N ATOM 878 CA ALA A 93 0.964 -7.149 1.729 1.00 0.00 C ATOM 879 C ALA A 93 -0.454 -6.598 1.617 1.00 0.00 C ATOM 880 O ALA A 93 -1.274 -6.788 2.516 1.00 0.00 O ATOM 881 CB ALA A 93 1.952 -6.032 2.030 1.00 0.00 C ATOM 0 H ALA A 93 2.143 -7.440 0.023 1.00 0.00 H new ATOM 0 HA ALA A 93 0.987 -7.861 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.655 -5.520 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.949 -6.453 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.960 -5.321 1.204 1.00 0.00 H new ATOM 887 N ILE A 94 -0.758 -5.990 0.474 1.00 0.00 N ATOM 888 CA ILE A 94 -2.099 -5.484 0.209 1.00 0.00 C ATOM 889 C ILE A 94 -3.114 -6.621 0.233 1.00 0.00 C ATOM 890 O ILE A 94 -4.161 -6.517 0.871 1.00 0.00 O ATOM 891 CB ILE A 94 -2.185 -4.764 -1.157 1.00 0.00 C ATOM 892 CG1 ILE A 94 -1.238 -3.560 -1.199 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.617 -4.327 -1.444 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.552 -2.495 -0.170 1.00 0.00 C ATOM 0 H ILE A 94 -0.092 -5.836 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.327 -4.764 0.995 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.877 -5.467 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.217 -3.908 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.278 -3.114 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.657 -3.822 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.267 -5.202 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.952 -3.644 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.838 -1.677 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.561 -2.117 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.483 -2.924 0.830 1.00 0.00 H new ATOM 906 N LYS A 95 -2.776 -7.715 -0.447 1.00 0.00 N ATOM 907 CA LYS A 95 -3.640 -8.888 -0.498 1.00 0.00 C ATOM 908 C LYS A 95 -3.929 -9.415 0.898 1.00 0.00 C ATOM 909 O LYS A 95 -5.073 -9.724 1.225 1.00 0.00 O ATOM 910 CB LYS A 95 -3.006 -9.999 -1.336 1.00 0.00 C ATOM 911 CG LYS A 95 -2.965 -9.709 -2.823 1.00 0.00 C ATOM 912 CD LYS A 95 -2.550 -10.944 -3.602 1.00 0.00 C ATOM 913 CE LYS A 95 -2.630 -10.716 -5.098 1.00 0.00 C ATOM 914 NZ LYS A 95 -2.519 -11.988 -5.857 1.00 0.00 N ATOM 0 H LYS A 95 -1.906 -7.811 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.577 -8.580 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.989 -10.170 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.560 -10.923 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.946 -9.374 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.265 -8.897 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.531 -11.221 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.192 -11.781 -3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.574 -10.229 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.833 -10.039 -5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.578 -11.790 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.607 -12.441 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.294 -12.625 -5.582 1.00 0.00 H new ATOM 928 N LYS A 96 -2.885 -9.516 1.714 1.00 0.00 N ATOM 929 CA LYS A 96 -3.021 -10.015 3.075 1.00 0.00 C ATOM 930 C LYS A 96 -3.830 -9.044 3.928 1.00 0.00 C ATOM 931 O LYS A 96 -4.632 -9.449 4.765 1.00 0.00 O ATOM 932 CB LYS A 96 -1.644 -10.223 3.710 1.00 0.00 C ATOM 933 CG LYS A 96 -1.702 -10.855 5.094 1.00 0.00 C ATOM 934 CD LYS A 96 -1.986 -12.348 5.027 1.00 0.00 C ATOM 935 CE LYS A 96 -0.897 -13.099 4.279 1.00 0.00 C ATOM 936 NZ LYS A 96 0.423 -12.984 4.953 1.00 0.00 N ATOM 0 H LYS A 96 -1.933 -9.258 1.454 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.545 -10.970 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.043 -10.855 3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.136 -9.261 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.756 -10.689 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.476 -10.365 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.073 -12.747 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.945 -12.514 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.172 -14.151 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.821 -12.710 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.092 -13.654 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.785 -12.015 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.317 -13.202 5.964 1.00 0.00 H new ATOM 950 N GLY A 97 -3.567 -7.762 3.755 1.00 0.00 N ATOM 951 CA GLY A 97 -4.223 -6.757 4.562 1.00 0.00 C ATOM 952 C GLY A 97 -5.720 -6.688 4.327 1.00 0.00 C ATOM 953 O GLY A 97 -6.491 -6.526 5.273 1.00 0.00 O ATOM 0 H GLY A 97 -2.908 -7.396 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.036 -6.967 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.782 -5.783 4.348 1.00 0.00 H new ATOM 957 N VAL A 98 -6.138 -6.761 3.069 1.00 0.00 N ATOM 958 CA VAL A 98 -7.556 -6.646 2.739 1.00 0.00 C ATOM 959 C VAL A 98 -8.359 -7.837 3.271 1.00 0.00 C ATOM 960 O VAL A 98 -9.516 -7.683 3.666 1.00 0.00 O ATOM 961 CB VAL A 98 -7.801 -6.466 1.223 1.00 0.00 C ATOM 962 CG1 VAL A 98 -7.228 -5.142 0.748 1.00 0.00 C ATOM 963 CG2 VAL A 98 -7.207 -7.607 0.423 1.00 0.00 C ATOM 0 H VAL A 98 -5.523 -6.898 2.267 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.908 -5.742 3.236 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.879 -6.468 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.408 -5.030 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.709 -4.324 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.155 -5.120 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.399 -7.446 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.131 -7.651 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.663 -8.547 0.736 1.00 0.00 H new ATOM 973 N GLU A 99 -7.732 -9.007 3.337 1.00 0.00 N ATOM 974 CA GLU A 99 -8.383 -10.183 3.909 1.00 0.00 C ATOM 975 C GLU A 99 -8.307 -10.166 5.433 1.00 0.00 C ATOM 976 O GLU A 99 -9.211 -10.644 6.110 1.00 0.00 O ATOM 977 CB GLU A 99 -7.772 -11.475 3.378 1.00 0.00 C ATOM 978 CG GLU A 99 -6.263 -11.451 3.289 1.00 0.00 C ATOM 979 CD GLU A 99 -5.654 -12.830 3.412 1.00 0.00 C ATOM 980 OE1 GLU A 99 -6.391 -13.789 3.702 1.00 0.00 O ATOM 981 OE2 GLU A 99 -4.429 -12.963 3.199 1.00 0.00 O ATOM 0 H GLU A 99 -6.781 -9.167 3.005 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.430 -10.147 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.074 -12.300 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.181 -11.678 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.965 -11.009 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.866 -10.810 4.076 1.00 0.00 H new ATOM 988 N ALA A 100 -7.189 -9.684 5.965 1.00 0.00 N ATOM 989 CA ALA A 100 -6.980 -9.652 7.407 1.00 0.00 C ATOM 990 C ALA A 100 -7.919 -8.654 8.069 1.00 0.00 C ATOM 991 O ALA A 100 -8.321 -8.827 9.223 1.00 0.00 O ATOM 992 CB ALA A 100 -5.536 -9.303 7.727 1.00 0.00 C ATOM 0 H ALA A 100 -6.413 -9.310 5.418 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.198 -10.644 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.397 -9.283 8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.875 -10.052 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.298 -8.323 7.313 1.00 0.00 H new ATOM 998 N GLY A 101 -8.214 -7.581 7.352 1.00 0.00 N ATOM 999 CA GLY A 101 -9.047 -6.534 7.897 1.00 0.00 C ATOM 1000 C GLY A 101 -8.242 -5.300 8.225 1.00 0.00 C ATOM 1001 O GLY A 101 -8.339 -4.760 9.326 1.00 0.00 O ATOM 0 H GLY A 101 -7.889 -7.418 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.829 -6.280 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.544 -6.895 8.797 1.00 0.00 H new ATOM 1005 N ASP A 102 -7.390 -4.899 7.294 1.00 0.00 N ATOM 1006 CA ASP A 102 -6.532 -3.738 7.491 1.00 0.00 C ATOM 1007 C ASP A 102 -6.749 -2.735 6.368 1.00 0.00 C ATOM 1008 O ASP A 102 -6.678 -1.521 6.578 1.00 0.00 O ATOM 1009 CB ASP A 102 -5.059 -4.151 7.531 1.00 0.00 C ATOM 1010 CG ASP A 102 -4.233 -3.302 8.473 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -4.830 -2.503 9.219 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -2.987 -3.395 8.440 1.00 0.00 O ATOM 0 H ASP A 102 -7.273 -5.361 6.392 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.792 -3.279 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.988 -5.195 7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.641 -4.082 6.527 1.00 0.00 H new ATOM 1017 N PHE A 103 -7.038 -3.244 5.171 1.00 0.00 N ATOM 1018 CA PHE A 103 -7.284 -2.382 4.021 1.00 0.00 C ATOM 1019 C PHE A 103 -8.504 -2.861 3.234 1.00 0.00 C ATOM 1020 O PHE A 103 -8.885 -4.028 3.312 1.00 0.00 O ATOM 1021 CB PHE A 103 -6.069 -2.337 3.084 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.735 -2.376 3.775 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -4.138 -1.216 4.240 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -4.071 -3.577 3.938 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.904 -1.261 4.860 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.840 -3.628 4.558 1.00 0.00 C ATOM 1027 CZ PHE A 103 -2.254 -2.469 5.021 1.00 0.00 C ATOM 0 H PHE A 103 -7.107 -4.243 4.975 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.470 -1.380 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.129 -3.179 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.125 -1.429 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.641 -0.268 4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.522 -4.488 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.447 -0.351 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.336 -4.575 4.681 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.291 -2.506 5.508 1.00 0.00 H new ATOM 1037 N GLU A 104 -9.057 -1.966 2.429 1.00 0.00 N ATOM 1038 CA GLU A 104 -10.162 -2.284 1.531 1.00 0.00 C ATOM 1039 C GLU A 104 -9.784 -1.850 0.124 1.00 0.00 C ATOM 1040 O GLU A 104 -9.168 -0.803 -0.042 1.00 0.00 O ATOM 1041 CB GLU A 104 -11.443 -1.543 1.938 1.00 0.00 C ATOM 1042 CG GLU A 104 -11.881 -1.758 3.377 1.00 0.00 C ATOM 1043 CD GLU A 104 -13.141 -0.981 3.718 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -13.749 -0.385 2.806 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -13.534 -0.968 4.905 1.00 0.00 O ATOM 0 H GLU A 104 -8.752 -0.994 2.379 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.348 -3.357 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.294 -0.476 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.251 -1.857 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.055 -2.821 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.077 -1.455 4.048 1.00 0.00 H new ATOM 1052 N GLN A 105 -10.175 -2.599 -0.890 1.00 0.00 N ATOM 1053 CA GLN A 105 -9.908 -2.177 -2.258 1.00 0.00 C ATOM 1054 C GLN A 105 -11.193 -1.736 -2.949 1.00 0.00 C ATOM 1055 O GLN A 105 -12.093 -2.541 -3.177 1.00 0.00 O ATOM 1056 CB GLN A 105 -9.207 -3.279 -3.057 1.00 0.00 C ATOM 1057 CG GLN A 105 -7.758 -3.481 -2.645 1.00 0.00 C ATOM 1058 CD GLN A 105 -6.975 -4.324 -3.631 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -7.251 -5.507 -3.819 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -5.989 -3.717 -4.274 1.00 0.00 N ATOM 0 H GLN A 105 -10.669 -3.487 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.233 -1.322 -2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.750 -4.215 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.246 -3.032 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.276 -2.509 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.728 -3.956 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.790 -2.733 -4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.429 -4.233 -4.952 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.321 -0.423 -3.210 1.00 0.00 N ATOM 1070 CA PRO A 106 -12.521 0.158 -3.822 1.00 0.00 C ATOM 1071 C PRO A 106 -12.696 -0.250 -5.279 1.00 0.00 C ATOM 1072 O PRO A 106 -13.818 -0.446 -5.741 1.00 0.00 O ATOM 1073 CB PRO A 106 -12.287 1.673 -3.725 1.00 0.00 C ATOM 1074 CG PRO A 106 -11.173 1.843 -2.751 1.00 0.00 C ATOM 1075 CD PRO A 106 -10.334 0.608 -2.874 1.00 0.00 C ATOM 0 HA PRO A 106 -13.426 -0.183 -3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.026 2.093 -4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -13.186 2.188 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.590 2.736 -2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.554 1.958 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.575 0.710 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.811 0.380 -1.945 1.00 0.00 H new ATOM 1083 N LYS A 107 -11.592 -0.297 -6.016 1.00 0.00 N ATOM 1084 CA LYS A 107 -11.643 -0.625 -7.437 1.00 0.00 C ATOM 1085 C LYS A 107 -11.659 -2.136 -7.631 1.00 0.00 C ATOM 1086 O LYS A 107 -12.492 -2.668 -8.364 1.00 0.00 O ATOM 1087 CB LYS A 107 -10.456 -0.005 -8.181 1.00 0.00 C ATOM 1088 CG LYS A 107 -10.385 1.510 -8.066 1.00 0.00 C ATOM 1089 CD LYS A 107 -9.226 2.090 -8.870 1.00 0.00 C ATOM 1090 CE LYS A 107 -9.652 2.506 -10.275 1.00 0.00 C ATOM 1091 NZ LYS A 107 -10.050 1.346 -11.124 1.00 0.00 N ATOM 0 H LYS A 107 -10.655 -0.113 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.561 -0.209 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.532 -0.433 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.516 -0.278 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.322 1.944 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.275 1.789 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.818 2.954 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.427 1.351 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.487 3.203 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.832 3.038 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.051 1.632 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.374 0.567 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.003 1.029 -10.854 1.00 0.00 H new ATOM 1105 N GLY A 108 -10.769 -2.823 -6.934 1.00 0.00 N ATOM 1106 CA GLY A 108 -10.740 -4.265 -7.000 1.00 0.00 C ATOM 1107 C GLY A 108 -9.345 -4.818 -6.818 1.00 0.00 C ATOM 1108 O GLY A 108 -8.441 -4.089 -6.400 1.00 0.00 O ATOM 0 H GLY A 108 -10.066 -2.406 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.395 -4.675 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.135 -4.591 -7.962 1.00 0.00 H new ATOM 1112 N PRO A 109 -9.138 -6.103 -7.143 1.00 0.00 N ATOM 1113 CA PRO A 109 -7.834 -6.758 -7.025 1.00 0.00 C ATOM 1114 C PRO A 109 -6.750 -6.027 -7.804 1.00 0.00 C ATOM 1115 O PRO A 109 -6.939 -5.668 -8.970 1.00 0.00 O ATOM 1116 CB PRO A 109 -8.068 -8.145 -7.619 1.00 0.00 C ATOM 1117 CG PRO A 109 -9.530 -8.370 -7.486 1.00 0.00 C ATOM 1118 CD PRO A 109 -10.165 -7.022 -7.657 1.00 0.00 C ATOM 0 HA PRO A 109 -7.485 -6.778 -5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.754 -8.187 -8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.500 -8.906 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.889 -9.070 -8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.774 -8.797 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.403 -6.818 -8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.096 -6.941 -7.096 1.00 0.00 H new ATOM 1126 N ALA A 110 -5.630 -5.792 -7.129 1.00 0.00 N ATOM 1127 CA ALA A 110 -4.490 -5.077 -7.700 1.00 0.00 C ATOM 1128 C ALA A 110 -4.872 -3.661 -8.126 1.00 0.00 C ATOM 1129 O ALA A 110 -4.213 -3.056 -8.975 1.00 0.00 O ATOM 1130 CB ALA A 110 -3.895 -5.853 -8.869 1.00 0.00 C ATOM 0 H ALA A 110 -5.485 -6.093 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.731 -4.993 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.048 -5.302 -9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.559 -6.831 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.652 -5.982 -9.643 1.00 0.00 H new ATOM 1136 N GLY A 111 -5.903 -3.115 -7.493 1.00 0.00 N ATOM 1137 CA GLY A 111 -6.315 -1.761 -7.782 1.00 0.00 C ATOM 1138 C GLY A 111 -6.046 -0.828 -6.621 1.00 0.00 C ATOM 1139 O GLY A 111 -5.124 -1.057 -5.832 1.00 0.00 O ATOM 0 H GLY A 111 -6.461 -3.590 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.787 -1.402 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.379 -1.748 -8.019 1.00 0.00 H new ATOM 1143 N ALA A 112 -6.875 0.199 -6.495 1.00 0.00 N ATOM 1144 CA ALA A 112 -6.742 1.169 -5.417 1.00 0.00 C ATOM 1145 C ALA A 112 -6.973 0.527 -4.059 1.00 0.00 C ATOM 1146 O ALA A 112 -7.743 -0.425 -3.934 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.710 2.324 -5.618 1.00 0.00 C ATOM 0 H ALA A 112 -7.652 0.382 -7.130 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.721 1.550 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.597 3.039 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.496 2.817 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.732 1.945 -5.629 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.325 1.074 -3.045 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.497 0.619 -1.676 1.00 0.00 C ATOM 1155 C VAL A 113 -7.069 1.757 -0.839 1.00 0.00 C ATOM 1156 O VAL A 113 -6.900 2.920 -1.180 1.00 0.00 O ATOM 1157 CB VAL A 113 -5.161 0.138 -1.062 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -5.367 -0.428 0.340 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -4.506 -0.898 -1.960 1.00 0.00 C ATOM 0 H VAL A 113 -5.665 1.845 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.183 -0.228 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.501 1.001 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.410 -0.757 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.787 0.343 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.052 -1.275 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.567 -1.226 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.172 -1.754 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.308 -0.459 -2.938 1.00 0.00 H new ATOM 1169 N LYS A 114 -7.808 1.416 0.197 1.00 0.00 N ATOM 1170 CA LYS A 114 -8.439 2.395 1.065 1.00 0.00 C ATOM 1171 C LYS A 114 -8.323 1.904 2.501 1.00 0.00 C ATOM 1172 O LYS A 114 -8.423 0.700 2.743 1.00 0.00 O ATOM 1173 CB LYS A 114 -9.914 2.562 0.664 1.00 0.00 C ATOM 1174 CG LYS A 114 -10.561 3.857 1.136 1.00 0.00 C ATOM 1175 CD LYS A 114 -10.915 3.832 2.615 1.00 0.00 C ATOM 1176 CE LYS A 114 -12.011 2.823 2.913 1.00 0.00 C ATOM 1177 NZ LYS A 114 -12.464 2.895 4.327 1.00 0.00 N ATOM 0 H LYS A 114 -7.990 0.448 0.464 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.949 3.364 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.989 2.510 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -10.482 1.722 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.883 4.688 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -11.464 4.040 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.027 3.587 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.239 4.824 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.858 3.002 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.647 1.818 2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.374 2.401 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.757 2.444 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.579 3.891 4.604 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.998 2.803 3.430 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.797 2.403 4.821 1.00 0.00 C ATOM 1193 C LEU A 115 -9.032 1.705 5.367 1.00 0.00 C ATOM 1194 O LEU A 115 -10.092 2.322 5.493 1.00 0.00 O ATOM 1195 CB LEU A 115 -7.508 3.605 5.737 1.00 0.00 C ATOM 1196 CG LEU A 115 -6.094 4.174 5.708 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -5.062 3.057 5.765 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -5.905 5.059 4.496 1.00 0.00 C ATOM 0 H LEU A 115 -7.870 3.798 3.248 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.938 1.732 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.200 4.405 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.734 3.312 6.762 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.946 4.794 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.060 3.486 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.193 2.487 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.193 2.397 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.890 5.457 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.071 4.476 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.618 5.883 4.532 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.869 0.476 5.817 1.00 0.00 N ATOM 1211 CA ALA A 116 -9.953 -0.202 6.505 1.00 0.00 C ATOM 1212 C ALA A 116 -9.877 0.070 7.993 1.00 0.00 C ATOM 1213 O ALA A 116 -8.881 -0.238 8.646 1.00 0.00 O ATOM 1214 CB ALA A 116 -9.941 -1.695 6.250 1.00 0.00 C ATOM 0 H ALA A 116 -8.011 -0.067 5.722 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.889 0.192 6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.769 -2.162 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -10.046 -1.882 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.999 -2.117 6.601 1.00 0.00 H new