USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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 26 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot 5:sc= 0.556 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 10 ASN : amide:sc= -0.779 K(o=-0.78,f=-6.1!) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0433) USER MOD Single : A 16 ASN : amide:sc= -3.82! C(o=-3.8!,f=-10!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 45:sc= 0.44 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.31! K(o=-3.3!,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= -0.981! C(o=-0.98!,f=-7.9!) USER MOD Single : A 42 ASN : amide:sc= -4.22 K(o=-4.2,f=-4.9!) USER MOD Single : A 48 ASN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 49 SER OG : rot 69:sc= 0.0426 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 148:sc= -1.18 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 92:sc= 0.931 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 0.253 11.639 8.125 1.00 0.00 N ATOM 44 CA LYS A 4 -0.230 10.324 8.511 1.00 0.00 C ATOM 45 C LYS A 4 -0.431 9.471 7.257 1.00 0.00 C ATOM 46 O LYS A 4 -1.377 9.687 6.501 1.00 0.00 O ATOM 47 CB LYS A 4 -1.484 10.447 9.379 1.00 0.00 C ATOM 48 CG LYS A 4 -1.290 9.745 10.724 1.00 0.00 C ATOM 49 CD LYS A 4 -2.479 10.002 11.653 1.00 0.00 C ATOM 50 CE LYS A 4 -2.061 10.847 12.858 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.664 10.314 14.100 1.00 0.00 N ATOM 0 HA LYS A 4 0.508 9.813 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.715 11.499 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.336 10.012 8.857 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.173 8.673 10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.373 10.100 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.271 10.512 11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.890 9.052 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.975 10.851 12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.373 11.881 12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.370 10.899 14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.701 10.333 14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.346 9.335 14.248 1.00 0.00 H new ATOM 65 N LEU A 5 0.474 8.520 7.075 1.00 0.00 N ATOM 66 CA LEU A 5 0.407 7.634 5.925 1.00 0.00 C ATOM 67 C LEU A 5 1.494 6.564 6.049 1.00 0.00 C ATOM 68 O LEU A 5 2.459 6.738 6.791 1.00 0.00 O ATOM 69 CB LEU A 5 0.478 8.437 4.625 1.00 0.00 C ATOM 70 CG LEU A 5 1.808 9.140 4.343 1.00 0.00 C ATOM 71 CD1 LEU A 5 1.982 9.403 2.846 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.937 10.421 5.169 1.00 0.00 C ATOM 0 H LEU A 5 1.257 8.344 7.704 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.551 7.115 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.261 7.766 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.311 9.189 4.642 1.00 0.00 H new ATOM 0 HG LEU A 5 2.617 8.477 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.935 9.903 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.966 8.456 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.170 10.037 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.891 10.901 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.123 11.100 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.890 10.176 6.230 1.00 0.00 H new ATOM 84 N TYR A 6 1.301 5.482 5.308 1.00 0.00 N ATOM 85 CA TYR A 6 2.253 4.385 5.325 1.00 0.00 C ATOM 86 C TYR A 6 2.295 3.675 3.969 1.00 0.00 C ATOM 87 O TYR A 6 1.308 3.073 3.549 1.00 0.00 O ATOM 88 CB TYR A 6 1.748 3.405 6.385 1.00 0.00 C ATOM 89 CG TYR A 6 2.764 2.329 6.772 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.247 1.459 5.816 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.199 2.229 8.079 1.00 0.00 C ATOM 92 CE1 TYR A 6 4.204 0.447 6.181 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.156 1.216 8.443 1.00 0.00 C ATOM 94 CZ TYR A 6 4.612 0.376 7.476 1.00 0.00 C ATOM 95 OH TYR A 6 5.515 -0.580 7.821 1.00 0.00 O ATOM 0 H TYR A 6 0.500 5.342 4.693 1.00 0.00 H new ATOM 0 HA TYR A 6 3.257 4.751 5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.468 3.964 7.278 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.844 2.921 6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.907 1.537 4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.822 2.910 8.828 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.589 -0.240 5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.504 1.126 9.462 1.00 0.00 H new ATOM 0 HH TYR A 6 5.715 -0.511 8.778 1.00 0.00 H new ATOM 105 N GLY A 7 3.448 3.770 3.324 1.00 0.00 N ATOM 106 CA GLY A 7 3.632 3.144 2.026 1.00 0.00 C ATOM 107 C GLY A 7 2.576 3.628 1.030 1.00 0.00 C ATOM 108 O GLY A 7 1.781 2.834 0.528 1.00 0.00 O ATOM 0 H GLY A 7 4.264 4.271 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.628 3.373 1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.571 2.061 2.129 1.00 0.00 H new ATOM 112 N ASP A 8 2.601 4.927 0.773 1.00 0.00 N ATOM 113 CA ASP A 8 1.656 5.526 -0.154 1.00 0.00 C ATOM 114 C ASP A 8 2.135 5.291 -1.588 1.00 0.00 C ATOM 115 O ASP A 8 3.336 5.184 -1.836 1.00 0.00 O ATOM 116 CB ASP A 8 1.549 7.037 0.067 1.00 0.00 C ATOM 117 CG ASP A 8 0.133 7.606 -0.036 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.727 6.894 -0.598 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.059 8.742 0.450 1.00 0.00 O ATOM 0 H ASP A 8 3.262 5.582 1.191 1.00 0.00 H new ATOM 0 HA ASP A 8 0.682 5.067 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.949 7.274 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.181 7.542 -0.663 1.00 0.00 H new ATOM 124 N VAL A 9 1.172 5.217 -2.495 1.00 0.00 N ATOM 125 CA VAL A 9 1.481 4.996 -3.898 1.00 0.00 C ATOM 126 C VAL A 9 1.559 6.344 -4.617 1.00 0.00 C ATOM 127 O VAL A 9 2.598 6.697 -5.171 1.00 0.00 O ATOM 128 CB VAL A 9 0.453 4.047 -4.517 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.624 3.969 -6.036 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.539 2.657 -3.882 1.00 0.00 C ATOM 0 H VAL A 9 0.178 5.306 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 9 2.453 4.514 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.540 4.448 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.119 3.288 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.489 4.960 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.623 3.603 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.202 2.002 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.536 2.245 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.345 2.733 -2.812 1.00 0.00 H new ATOM 140 N ASN A 10 0.445 7.061 -4.583 1.00 0.00 N ATOM 141 CA ASN A 10 0.374 8.363 -5.226 1.00 0.00 C ATOM 142 C ASN A 10 0.394 9.456 -4.155 1.00 0.00 C ATOM 143 O ASN A 10 -0.084 10.566 -4.387 1.00 0.00 O ATOM 144 CB ASN A 10 -0.920 8.511 -6.028 1.00 0.00 C ATOM 145 CG ASN A 10 -2.077 7.779 -5.344 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.129 7.642 -4.133 1.00 0.00 O ATOM 147 ND2 ASN A 10 -2.997 7.317 -6.186 1.00 0.00 N ATOM 0 H ASN A 10 -0.415 6.766 -4.121 1.00 0.00 H new ATOM 0 HA ASN A 10 1.227 8.455 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.166 9.567 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.777 8.113 -7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.808 6.813 -5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.891 7.467 -7.189 1.00 0.00 H new ATOM 154 N ASP A 11 0.953 9.104 -3.006 1.00 0.00 N ATOM 155 CA ASP A 11 1.042 10.042 -1.900 1.00 0.00 C ATOM 156 C ASP A 11 -0.333 10.669 -1.656 1.00 0.00 C ATOM 157 O ASP A 11 -0.454 11.889 -1.558 1.00 0.00 O ATOM 158 CB ASP A 11 2.027 11.170 -2.211 1.00 0.00 C ATOM 159 CG ASP A 11 2.723 11.776 -0.990 1.00 0.00 C ATOM 160 OD1 ASP A 11 3.299 10.984 -0.213 1.00 0.00 O ATOM 161 OD2 ASP A 11 2.663 13.017 -0.861 1.00 0.00 O ATOM 0 H ASP A 11 1.348 8.183 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 11 1.386 9.495 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.788 10.790 -2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.495 11.962 -2.737 1.00 0.00 H new ATOM 166 N ASP A 12 -1.334 9.807 -1.567 1.00 0.00 N ATOM 167 CA ASP A 12 -2.695 10.260 -1.337 1.00 0.00 C ATOM 168 C ASP A 12 -3.096 9.949 0.107 1.00 0.00 C ATOM 169 O ASP A 12 -3.599 10.819 0.817 1.00 0.00 O ATOM 170 CB ASP A 12 -3.679 9.545 -2.265 1.00 0.00 C ATOM 171 CG ASP A 12 -5.090 9.369 -1.700 1.00 0.00 C ATOM 172 OD1 ASP A 12 -5.840 10.369 -1.728 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.385 8.240 -1.253 1.00 0.00 O ATOM 0 H ASP A 12 -1.230 8.796 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.730 11.332 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.745 10.103 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.276 8.562 -2.509 1.00 0.00 H new ATOM 178 N GLY A 13 -2.856 8.706 0.498 1.00 0.00 N ATOM 179 CA GLY A 13 -3.185 8.269 1.845 1.00 0.00 C ATOM 180 C GLY A 13 -2.402 7.009 2.219 1.00 0.00 C ATOM 181 O GLY A 13 -1.747 6.967 3.260 1.00 0.00 O ATOM 0 H GLY A 13 -2.438 7.988 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.960 9.065 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.255 8.071 1.916 1.00 0.00 H new ATOM 185 N LYS A 14 -2.494 6.014 1.350 1.00 0.00 N ATOM 186 CA LYS A 14 -1.803 4.756 1.576 1.00 0.00 C ATOM 187 C LYS A 14 -2.027 3.832 0.377 1.00 0.00 C ATOM 188 O LYS A 14 -2.958 4.035 -0.401 1.00 0.00 O ATOM 189 CB LYS A 14 -2.228 4.143 2.912 1.00 0.00 C ATOM 190 CG LYS A 14 -3.704 3.740 2.886 1.00 0.00 C ATOM 191 CD LYS A 14 -4.540 4.660 3.777 1.00 0.00 C ATOM 192 CE LYS A 14 -5.559 5.447 2.951 1.00 0.00 C ATOM 193 NZ LYS A 14 -5.990 6.661 3.679 1.00 0.00 N ATOM 0 H LYS A 14 -3.037 6.053 0.487 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.729 4.922 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.613 3.269 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.057 4.859 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.078 3.781 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.809 2.709 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.058 4.068 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.885 5.351 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.121 5.727 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.423 4.819 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.560 7.260 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.560 6.387 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.153 7.191 3.996 1.00 0.00 H new ATOM 207 N VAL A 15 -1.160 2.837 0.266 1.00 0.00 N ATOM 208 CA VAL A 15 -1.251 1.882 -0.825 1.00 0.00 C ATOM 209 C VAL A 15 -2.370 0.882 -0.528 1.00 0.00 C ATOM 210 O VAL A 15 -2.278 0.105 0.421 1.00 0.00 O ATOM 211 CB VAL A 15 0.105 1.212 -1.049 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.511 0.376 0.167 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.093 0.361 -2.320 1.00 0.00 C ATOM 0 H VAL A 15 -0.390 2.671 0.914 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.505 2.389 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 15 0.849 1.998 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.479 -0.090 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.580 1.019 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.236 -0.398 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.069 -0.104 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.669 -0.414 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.130 0.993 -3.179 1.00 0.00 H new ATOM 223 N ASN A 16 -3.401 0.933 -1.359 1.00 0.00 N ATOM 224 CA ASN A 16 -4.538 0.041 -1.197 1.00 0.00 C ATOM 225 C ASN A 16 -5.197 -0.190 -2.559 1.00 0.00 C ATOM 226 O ASN A 16 -4.699 0.281 -3.581 1.00 0.00 O ATOM 227 CB ASN A 16 -5.586 0.647 -0.262 1.00 0.00 C ATOM 228 CG ASN A 16 -5.815 2.126 -0.579 1.00 0.00 C ATOM 229 OD1 ASN A 16 -5.131 2.727 -1.391 1.00 0.00 O ATOM 230 ND2 ASN A 16 -6.815 2.676 0.103 1.00 0.00 N ATOM 0 H ASN A 16 -3.473 1.578 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.174 -0.895 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.524 0.101 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.261 0.539 0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.049 3.658 -0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.348 2.115 0.768 1.00 0.00 H new ATOM 237 N SER A 17 -6.306 -0.913 -2.528 1.00 0.00 N ATOM 238 CA SER A 17 -7.039 -1.212 -3.746 1.00 0.00 C ATOM 239 C SER A 17 -7.273 0.073 -4.545 1.00 0.00 C ATOM 240 O SER A 17 -7.497 0.025 -5.753 1.00 0.00 O ATOM 241 CB SER A 17 -8.372 -1.894 -3.435 1.00 0.00 C ATOM 242 OG SER A 17 -9.265 -1.853 -4.544 1.00 0.00 O ATOM 0 H SER A 17 -6.715 -1.301 -1.678 1.00 0.00 H new ATOM 0 HA SER A 17 -6.442 -1.901 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.191 -2.931 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.837 -1.407 -2.577 1.00 0.00 H new ATOM 0 HG SER A 17 -10.104 -2.300 -4.305 1.00 0.00 H new ATOM 248 N THR A 18 -7.214 1.190 -3.836 1.00 0.00 N ATOM 249 CA THR A 18 -7.417 2.485 -4.463 1.00 0.00 C ATOM 250 C THR A 18 -6.254 2.812 -5.401 1.00 0.00 C ATOM 251 O THR A 18 -6.450 3.429 -6.448 1.00 0.00 O ATOM 252 CB THR A 18 -7.613 3.521 -3.354 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.801 3.101 -2.691 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.963 4.907 -3.902 1.00 0.00 C ATOM 0 H THR A 18 -7.029 1.225 -2.834 1.00 0.00 H new ATOM 0 HA THR A 18 -8.309 2.485 -5.090 1.00 0.00 H new ATOM 0 HB THR A 18 -6.705 3.586 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.001 3.717 -1.956 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.091 5.604 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.158 5.256 -4.549 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.889 4.849 -4.474 1.00 0.00 H new ATOM 262 N ASP A 19 -5.068 2.384 -4.993 1.00 0.00 N ATOM 263 CA ASP A 19 -3.874 2.624 -5.784 1.00 0.00 C ATOM 264 C ASP A 19 -3.525 1.358 -6.570 1.00 0.00 C ATOM 265 O ASP A 19 -2.381 1.174 -6.981 1.00 0.00 O ATOM 266 CB ASP A 19 -2.681 2.968 -4.891 1.00 0.00 C ATOM 267 CG ASP A 19 -2.884 4.181 -3.979 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.519 5.148 -4.454 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.401 4.113 -2.828 1.00 0.00 O ATOM 0 H ASP A 19 -4.909 1.873 -4.125 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.076 3.460 -6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.448 2.102 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.813 3.150 -5.524 1.00 0.00 H new ATOM 274 N ALA A 20 -4.534 0.518 -6.755 1.00 0.00 N ATOM 275 CA ALA A 20 -4.348 -0.725 -7.484 1.00 0.00 C ATOM 276 C ALA A 20 -3.991 -0.410 -8.938 1.00 0.00 C ATOM 277 O ALA A 20 -3.239 -1.150 -9.571 1.00 0.00 O ATOM 278 CB ALA A 20 -5.612 -1.578 -7.366 1.00 0.00 C ATOM 0 H ALA A 20 -5.482 0.674 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.525 -1.300 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.474 -2.511 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.806 -1.798 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.458 -1.034 -7.785 1.00 0.00 H new ATOM 284 N VAL A 21 -4.547 0.689 -9.426 1.00 0.00 N ATOM 285 CA VAL A 21 -4.296 1.111 -10.794 1.00 0.00 C ATOM 286 C VAL A 21 -2.790 1.087 -11.062 1.00 0.00 C ATOM 287 O VAL A 21 -2.325 0.368 -11.944 1.00 0.00 O ATOM 288 CB VAL A 21 -4.925 2.483 -11.042 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.499 3.045 -12.399 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.449 2.416 -10.930 1.00 0.00 C ATOM 0 H VAL A 21 -5.170 1.300 -8.899 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.763 0.422 -11.498 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.562 3.162 -10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.960 4.021 -12.550 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.414 3.148 -12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.818 2.367 -13.190 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.871 3.405 -11.111 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.838 1.715 -11.669 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.726 2.080 -9.931 1.00 0.00 H new ATOM 300 N ALA A 22 -2.069 1.882 -10.284 1.00 0.00 N ATOM 301 CA ALA A 22 -0.625 1.960 -10.427 1.00 0.00 C ATOM 302 C ALA A 22 -0.006 0.617 -10.040 1.00 0.00 C ATOM 303 O ALA A 22 1.129 0.322 -10.414 1.00 0.00 O ATOM 304 CB ALA A 22 -0.090 3.116 -9.578 1.00 0.00 C ATOM 0 H ALA A 22 -2.458 2.477 -9.553 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.352 2.162 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.993 3.175 -9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.539 4.051 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.343 2.946 -8.531 1.00 0.00 H new ATOM 310 N LEU A 23 -0.775 -0.163 -9.295 1.00 0.00 N ATOM 311 CA LEU A 23 -0.317 -1.469 -8.854 1.00 0.00 C ATOM 312 C LEU A 23 -0.309 -2.430 -10.043 1.00 0.00 C ATOM 313 O LEU A 23 0.735 -2.976 -10.400 1.00 0.00 O ATOM 314 CB LEU A 23 -1.153 -1.959 -7.671 1.00 0.00 C ATOM 315 CG LEU A 23 -0.561 -3.118 -6.866 1.00 0.00 C ATOM 316 CD1 LEU A 23 -1.479 -4.341 -6.911 1.00 0.00 C ATOM 317 CD2 LEU A 23 0.855 -3.447 -7.340 1.00 0.00 C ATOM 0 H LEU A 23 -1.715 0.085 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 23 0.707 -1.409 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.317 -1.120 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.131 -2.264 -8.044 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.488 -2.808 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.035 -5.150 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.450 -4.083 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.606 -4.663 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.253 -4.274 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.830 -3.729 -8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.493 -2.572 -7.214 1.00 0.00 H new ATOM 329 N LYS A 24 -1.486 -2.611 -10.626 1.00 0.00 N ATOM 330 CA LYS A 24 -1.628 -3.497 -11.768 1.00 0.00 C ATOM 331 C LYS A 24 -0.428 -3.319 -12.700 1.00 0.00 C ATOM 332 O LYS A 24 0.134 -4.297 -13.189 1.00 0.00 O ATOM 333 CB LYS A 24 -2.978 -3.276 -12.454 1.00 0.00 C ATOM 334 CG LYS A 24 -3.382 -4.501 -13.276 1.00 0.00 C ATOM 335 CD LYS A 24 -4.759 -4.303 -13.913 1.00 0.00 C ATOM 336 CE LYS A 24 -5.232 -5.584 -14.604 1.00 0.00 C ATOM 337 NZ LYS A 24 -6.704 -5.572 -14.766 1.00 0.00 N ATOM 0 H LYS A 24 -2.350 -2.158 -10.328 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.628 -4.538 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.741 -3.069 -11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.922 -2.401 -13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.640 -4.683 -14.054 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.396 -5.384 -12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.479 -4.011 -13.148 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.715 -3.490 -14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.754 -5.676 -15.579 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.932 -6.453 -14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.009 -6.448 -15.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.156 -5.506 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.983 -4.754 -15.344 1.00 0.00 H new ATOM 351 N ARG A 25 -0.071 -2.061 -12.918 1.00 0.00 N ATOM 352 CA ARG A 25 1.052 -1.741 -13.782 1.00 0.00 C ATOM 353 C ARG A 25 2.363 -2.207 -13.146 1.00 0.00 C ATOM 354 O ARG A 25 3.237 -2.733 -13.831 1.00 0.00 O ATOM 355 CB ARG A 25 1.130 -0.237 -14.051 1.00 0.00 C ATOM 356 CG ARG A 25 0.099 0.187 -15.100 1.00 0.00 C ATOM 357 CD ARG A 25 -0.709 1.394 -14.619 1.00 0.00 C ATOM 358 NE ARG A 25 -1.961 1.508 -15.400 1.00 0.00 N ATOM 359 CZ ARG A 25 -2.033 2.027 -16.633 1.00 0.00 C ATOM 360 NH1 ARG A 25 -0.926 2.483 -17.233 1.00 0.00 N ATOM 361 NH2 ARG A 25 -3.212 2.090 -17.265 1.00 0.00 N ATOM 0 H ARG A 25 -0.540 -1.252 -12.511 1.00 0.00 H new ATOM 0 HA ARG A 25 0.899 -2.260 -14.728 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.958 0.311 -13.125 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.131 0.023 -14.394 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.605 0.432 -16.034 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.573 -0.645 -15.311 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.940 1.288 -13.559 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.119 2.304 -14.727 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.823 1.170 -14.973 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.028 2.435 -16.751 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.981 2.878 -18.172 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.055 1.743 -16.808 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.267 2.485 -18.204 1.00 0.00 H new ATOM 375 N TYR A 26 2.457 -1.995 -11.841 1.00 0.00 N ATOM 376 CA TYR A 26 3.646 -2.387 -11.103 1.00 0.00 C ATOM 377 C TYR A 26 3.888 -3.893 -11.213 1.00 0.00 C ATOM 378 O TYR A 26 4.966 -4.325 -11.616 1.00 0.00 O ATOM 379 CB TYR A 26 3.371 -2.031 -9.641 1.00 0.00 C ATOM 380 CG TYR A 26 4.622 -2.011 -8.760 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.396 -0.870 -8.687 1.00 0.00 C ATOM 382 CD2 TYR A 26 4.976 -3.131 -8.038 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.573 -0.851 -7.858 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.152 -3.112 -7.209 1.00 0.00 C ATOM 385 CZ TYR A 26 6.893 -1.972 -7.159 1.00 0.00 C ATOM 386 OH TYR A 26 8.005 -1.954 -6.376 1.00 0.00 O ATOM 0 H TYR A 26 1.729 -1.557 -11.276 1.00 0.00 H new ATOM 0 HA TYR A 26 4.527 -1.881 -11.498 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.894 -1.052 -9.600 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.661 -2.749 -9.230 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.119 0.008 -9.252 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.370 -4.023 -8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.188 0.034 -7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.440 -3.983 -6.639 1.00 0.00 H new ATOM 0 HH TYR A 26 8.161 -1.043 -6.050 1.00 0.00 H new ATOM 396 N VAL A 27 2.865 -4.653 -10.847 1.00 0.00 N ATOM 397 CA VAL A 27 2.953 -6.102 -10.899 1.00 0.00 C ATOM 398 C VAL A 27 3.330 -6.535 -12.317 1.00 0.00 C ATOM 399 O VAL A 27 4.245 -7.335 -12.503 1.00 0.00 O ATOM 400 CB VAL A 27 1.643 -6.724 -10.412 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.825 -8.208 -10.091 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.092 -5.966 -9.202 1.00 0.00 C ATOM 0 H VAL A 27 1.971 -4.292 -10.513 1.00 0.00 H new ATOM 0 HA VAL A 27 3.735 -6.461 -10.231 1.00 0.00 H new ATOM 0 HB VAL A 27 0.915 -6.643 -11.219 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.878 -8.625 -9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.150 -8.737 -10.987 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.577 -8.322 -9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.161 -6.429 -8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.818 -6.000 -8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.904 -4.928 -9.477 1.00 0.00 H new ATOM 412 N LEU A 28 2.604 -5.988 -13.281 1.00 0.00 N ATOM 413 CA LEU A 28 2.849 -6.308 -14.677 1.00 0.00 C ATOM 414 C LEU A 28 4.295 -5.954 -15.030 1.00 0.00 C ATOM 415 O LEU A 28 5.039 -6.795 -15.532 1.00 0.00 O ATOM 416 CB LEU A 28 1.814 -5.627 -15.574 1.00 0.00 C ATOM 417 CG LEU A 28 0.855 -6.558 -16.319 1.00 0.00 C ATOM 418 CD1 LEU A 28 1.603 -7.401 -17.353 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.060 -7.424 -15.339 1.00 0.00 C ATOM 0 H LEU A 28 1.845 -5.325 -13.123 1.00 0.00 H new ATOM 0 HA LEU A 28 2.730 -7.378 -14.848 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.224 -4.945 -14.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.343 -5.019 -16.308 1.00 0.00 H new ATOM 0 HG LEU A 28 0.136 -5.945 -16.863 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.899 -8.054 -17.868 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.086 -6.745 -18.077 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.358 -8.006 -16.852 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.614 -8.076 -15.894 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.747 -8.030 -14.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.520 -6.783 -14.675 1.00 0.00 H new ATOM 431 N ARG A 29 4.651 -4.708 -14.752 1.00 0.00 N ATOM 432 CA ARG A 29 5.995 -4.233 -15.033 1.00 0.00 C ATOM 433 C ARG A 29 6.358 -3.081 -14.094 1.00 0.00 C ATOM 434 O ARG A 29 5.554 -2.686 -13.250 1.00 0.00 O ATOM 435 CB ARG A 29 6.118 -3.757 -16.482 1.00 0.00 C ATOM 436 CG ARG A 29 5.548 -2.347 -16.648 1.00 0.00 C ATOM 437 CD ARG A 29 4.019 -2.365 -16.592 1.00 0.00 C ATOM 438 NE ARG A 29 3.461 -2.123 -17.941 1.00 0.00 N ATOM 439 CZ ARG A 29 3.284 -0.906 -18.475 1.00 0.00 C ATOM 440 NH1 ARG A 29 3.621 0.187 -17.777 1.00 0.00 N ATOM 441 NH2 ARG A 29 2.771 -0.783 -19.706 1.00 0.00 N ATOM 0 H ARG A 29 4.032 -4.013 -14.335 1.00 0.00 H new ATOM 0 HA ARG A 29 6.681 -5.065 -14.875 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.165 -3.767 -16.784 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.590 -4.446 -17.141 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.937 -1.699 -15.863 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.876 -1.928 -17.599 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.672 -3.326 -16.213 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.663 -1.602 -15.900 1.00 0.00 H new ATOM 0 HE ARG A 29 3.194 -2.933 -18.500 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.012 0.093 -16.840 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.486 1.113 -18.183 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.515 -1.615 -20.237 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.636 0.143 -20.112 1.00 0.00 H new ATOM 455 N SER A 30 7.569 -2.575 -14.271 1.00 0.00 N ATOM 456 CA SER A 30 8.049 -1.477 -13.449 1.00 0.00 C ATOM 457 C SER A 30 8.279 -0.236 -14.316 1.00 0.00 C ATOM 458 O SER A 30 9.420 0.116 -14.610 1.00 0.00 O ATOM 459 CB SER A 30 9.336 -1.858 -12.717 1.00 0.00 C ATOM 460 OG SER A 30 10.365 -2.261 -13.618 1.00 0.00 O ATOM 0 H SER A 30 8.233 -2.905 -14.972 1.00 0.00 H new ATOM 0 HA SER A 30 7.290 -1.254 -12.700 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.682 -1.009 -12.128 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.129 -2.668 -12.018 1.00 0.00 H new ATOM 0 HG SER A 30 10.399 -1.639 -14.375 1.00 0.00 H new ATOM 466 N GLY A 31 7.177 0.391 -14.700 1.00 0.00 N ATOM 467 CA GLY A 31 7.245 1.584 -15.525 1.00 0.00 C ATOM 468 C GLY A 31 6.838 2.826 -14.730 1.00 0.00 C ATOM 469 O GLY A 31 7.589 3.798 -14.664 1.00 0.00 O ATOM 0 H GLY A 31 6.232 0.095 -14.455 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.258 1.709 -15.907 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.590 1.470 -16.389 1.00 0.00 H new ATOM 473 N ILE A 32 5.651 2.754 -14.146 1.00 0.00 N ATOM 474 CA ILE A 32 5.136 3.861 -13.358 1.00 0.00 C ATOM 475 C ILE A 32 6.094 4.145 -12.199 1.00 0.00 C ATOM 476 O ILE A 32 7.115 3.474 -12.054 1.00 0.00 O ATOM 477 CB ILE A 32 3.701 3.578 -12.912 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.638 2.343 -12.012 1.00 0.00 C ATOM 479 CG2 ILE A 32 2.766 3.456 -14.118 1.00 0.00 C ATOM 480 CD1 ILE A 32 2.977 2.672 -10.672 1.00 0.00 C ATOM 0 H ILE A 32 5.031 1.946 -14.203 1.00 0.00 H new ATOM 0 HA ILE A 32 5.086 4.767 -13.961 1.00 0.00 H new ATOM 0 HB ILE A 32 3.355 4.425 -12.320 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.079 1.552 -12.513 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.645 1.962 -11.841 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.752 3.255 -13.773 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.779 4.387 -14.684 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.101 2.639 -14.757 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.945 1.776 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.552 3.445 -10.163 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.962 3.029 -10.845 1.00 0.00 H new ATOM 492 N SER A 33 5.733 5.141 -11.404 1.00 0.00 N ATOM 493 CA SER A 33 6.548 5.523 -10.264 1.00 0.00 C ATOM 494 C SER A 33 5.675 5.637 -9.012 1.00 0.00 C ATOM 495 O SER A 33 4.652 6.320 -9.024 1.00 0.00 O ATOM 496 CB SER A 33 7.277 6.843 -10.525 1.00 0.00 C ATOM 497 OG SER A 33 8.347 7.051 -9.608 1.00 0.00 O ATOM 0 H SER A 33 4.886 5.696 -11.527 1.00 0.00 H new ATOM 0 HA SER A 33 7.300 4.750 -10.106 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.666 6.847 -11.543 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.570 7.669 -10.450 1.00 0.00 H new ATOM 0 HG SER A 33 8.788 7.903 -9.808 1.00 0.00 H new ATOM 503 N ILE A 34 6.112 4.957 -7.962 1.00 0.00 N ATOM 504 CA ILE A 34 5.383 4.973 -6.704 1.00 0.00 C ATOM 505 C ILE A 34 6.379 4.996 -5.543 1.00 0.00 C ATOM 506 O ILE A 34 7.518 4.554 -5.690 1.00 0.00 O ATOM 507 CB ILE A 34 4.394 3.808 -6.644 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.126 2.474 -6.489 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.464 3.814 -7.859 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.359 1.532 -5.559 1.00 0.00 C ATOM 0 H ILE A 34 6.961 4.392 -7.956 1.00 0.00 H new ATOM 0 HA ILE A 34 4.780 5.877 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 34 3.769 3.937 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.248 2.006 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.126 2.648 -6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.771 2.975 -7.791 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.902 4.748 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.055 3.723 -8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.901 0.591 -5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.260 1.992 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.368 1.341 -5.971 1.00 0.00 H new ATOM 522 N ASN A 35 5.914 5.514 -4.416 1.00 0.00 N ATOM 523 CA ASN A 35 6.749 5.599 -3.231 1.00 0.00 C ATOM 524 C ASN A 35 6.993 4.191 -2.681 1.00 0.00 C ATOM 525 O ASN A 35 6.532 3.859 -1.591 1.00 0.00 O ATOM 526 CB ASN A 35 6.069 6.422 -2.136 1.00 0.00 C ATOM 527 CG ASN A 35 5.243 7.560 -2.739 1.00 0.00 C ATOM 528 OD1 ASN A 35 5.690 8.689 -2.861 1.00 0.00 O ATOM 529 ND2 ASN A 35 4.017 7.202 -3.106 1.00 0.00 N ATOM 0 H ASN A 35 4.969 5.879 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 35 7.686 6.078 -3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.425 5.777 -1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.822 6.832 -1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.387 7.890 -3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.706 6.239 -2.976 1.00 0.00 H new ATOM 536 N THR A 36 7.717 3.403 -3.463 1.00 0.00 N ATOM 537 CA THR A 36 8.027 2.040 -3.068 1.00 0.00 C ATOM 538 C THR A 36 8.930 2.034 -1.833 1.00 0.00 C ATOM 539 O THR A 36 9.134 0.991 -1.213 1.00 0.00 O ATOM 540 CB THR A 36 8.642 1.327 -4.273 1.00 0.00 C ATOM 541 OG1 THR A 36 9.160 0.114 -3.733 1.00 0.00 O ATOM 542 CG2 THR A 36 9.877 2.050 -4.814 1.00 0.00 C ATOM 0 H THR A 36 8.097 3.683 -4.367 1.00 0.00 H new ATOM 0 HA THR A 36 7.127 1.499 -2.776 1.00 0.00 H new ATOM 0 HB THR A 36 7.896 1.242 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.912 0.045 -2.787 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.274 1.502 -5.668 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.601 3.058 -5.125 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.636 2.106 -4.034 1.00 0.00 H new ATOM 550 N ASP A 37 9.447 3.212 -1.512 1.00 0.00 N ATOM 551 CA ASP A 37 10.324 3.355 -0.362 1.00 0.00 C ATOM 552 C ASP A 37 9.765 2.539 0.805 1.00 0.00 C ATOM 553 O ASP A 37 10.284 1.472 1.127 1.00 0.00 O ATOM 554 CB ASP A 37 10.413 4.816 0.082 1.00 0.00 C ATOM 555 CG ASP A 37 11.680 5.550 -0.360 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.067 5.357 -1.533 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.233 6.289 0.483 1.00 0.00 O ATOM 0 H ASP A 37 9.275 4.075 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 37 11.315 3.003 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.547 5.352 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.350 4.854 1.170 1.00 0.00 H new ATOM 562 N ASN A 38 8.712 3.073 1.408 1.00 0.00 N ATOM 563 CA ASN A 38 8.077 2.408 2.533 1.00 0.00 C ATOM 564 C ASN A 38 6.705 1.885 2.102 1.00 0.00 C ATOM 565 O ASN A 38 5.745 1.948 2.868 1.00 0.00 O ATOM 566 CB ASN A 38 7.869 3.376 3.700 1.00 0.00 C ATOM 567 CG ASN A 38 7.640 4.802 3.195 1.00 0.00 C ATOM 568 OD1 ASN A 38 8.422 5.352 2.436 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.530 5.367 3.657 1.00 0.00 N ATOM 0 H ASN A 38 8.283 3.958 1.138 1.00 0.00 H new ATOM 0 HA ASN A 38 8.726 1.593 2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.014 3.055 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.740 3.354 4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.288 6.318 3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.920 4.850 4.290 1.00 0.00 H new ATOM 576 N ALA A 39 6.657 1.379 0.879 1.00 0.00 N ATOM 577 CA ALA A 39 5.419 0.845 0.337 1.00 0.00 C ATOM 578 C ALA A 39 5.068 -0.454 1.065 1.00 0.00 C ATOM 579 O ALA A 39 4.267 -0.450 1.998 1.00 0.00 O ATOM 580 CB ALA A 39 5.566 0.647 -1.173 1.00 0.00 C ATOM 0 H ALA A 39 7.456 1.327 0.247 1.00 0.00 H new ATOM 0 HA ALA A 39 4.597 1.544 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.637 0.246 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.786 1.604 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.380 -0.051 -1.371 1.00 0.00 H new ATOM 586 N ASP A 40 5.685 -1.535 0.610 1.00 0.00 N ATOM 587 CA ASP A 40 5.447 -2.839 1.205 1.00 0.00 C ATOM 588 C ASP A 40 6.477 -3.085 2.310 1.00 0.00 C ATOM 589 O ASP A 40 7.485 -2.385 2.392 1.00 0.00 O ATOM 590 CB ASP A 40 5.593 -3.953 0.167 1.00 0.00 C ATOM 591 CG ASP A 40 5.595 -5.373 0.738 1.00 0.00 C ATOM 592 OD1 ASP A 40 4.832 -5.598 1.702 1.00 0.00 O ATOM 593 OD2 ASP A 40 6.359 -6.200 0.197 1.00 0.00 O ATOM 0 H ASP A 40 6.349 -1.534 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 40 4.432 -2.848 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.778 -3.868 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.521 -3.797 -0.383 1.00 0.00 H new ATOM 598 N LEU A 41 6.187 -4.083 3.134 1.00 0.00 N ATOM 599 CA LEU A 41 7.075 -4.430 4.230 1.00 0.00 C ATOM 600 C LEU A 41 7.678 -5.813 3.975 1.00 0.00 C ATOM 601 O LEU A 41 8.766 -6.118 4.458 1.00 0.00 O ATOM 602 CB LEU A 41 6.343 -4.316 5.568 1.00 0.00 C ATOM 603 CG LEU A 41 5.849 -2.917 5.945 1.00 0.00 C ATOM 604 CD1 LEU A 41 6.887 -1.853 5.585 1.00 0.00 C ATOM 605 CD2 LEU A 41 4.486 -2.627 5.311 1.00 0.00 C ATOM 0 H LEU A 41 5.350 -4.661 3.064 1.00 0.00 H new ATOM 0 HA LEU A 41 7.905 -3.726 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.486 -4.990 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.009 -4.669 6.355 1.00 0.00 H new ATOM 0 HG LEU A 41 5.715 -2.882 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.511 -0.869 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.814 -2.052 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.077 -1.879 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.158 -1.627 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.569 -2.687 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.759 -3.360 5.660 1.00 0.00 H new ATOM 617 N ASN A 42 6.943 -6.611 3.214 1.00 0.00 N ATOM 618 CA ASN A 42 7.391 -7.954 2.888 1.00 0.00 C ATOM 619 C ASN A 42 8.560 -7.873 1.905 1.00 0.00 C ATOM 620 O ASN A 42 9.287 -8.847 1.718 1.00 0.00 O ATOM 621 CB ASN A 42 6.273 -8.763 2.227 1.00 0.00 C ATOM 622 CG ASN A 42 4.941 -8.547 2.948 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.123 -7.727 2.563 1.00 0.00 O ATOM 624 ND2 ASN A 42 4.768 -9.326 4.012 1.00 0.00 N ATOM 0 H ASN A 42 6.041 -6.353 2.814 1.00 0.00 H new ATOM 0 HA ASN A 42 7.690 -8.443 3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.176 -8.470 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.530 -9.822 2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.910 -9.258 4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.493 -9.992 4.280 1.00 0.00 H new ATOM 631 N GLU A 43 8.704 -6.702 1.302 1.00 0.00 N ATOM 632 CA GLU A 43 9.772 -6.481 0.342 1.00 0.00 C ATOM 633 C GLU A 43 9.378 -7.035 -1.028 1.00 0.00 C ATOM 634 O GLU A 43 10.137 -7.784 -1.641 1.00 0.00 O ATOM 635 CB GLU A 43 11.084 -7.101 0.828 1.00 0.00 C ATOM 636 CG GLU A 43 12.259 -6.148 0.604 1.00 0.00 C ATOM 637 CD GLU A 43 13.591 -6.898 0.654 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.607 -7.986 1.269 1.00 0.00 O ATOM 639 OE2 GLU A 43 14.563 -6.366 0.076 1.00 0.00 O ATOM 0 H GLU A 43 8.099 -5.896 1.460 1.00 0.00 H new ATOM 0 HA GLU A 43 9.930 -5.407 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.005 -7.343 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.265 -8.037 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.152 -5.654 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.249 -5.367 1.364 1.00 0.00 H new ATOM 646 N ASP A 44 8.191 -6.646 -1.469 1.00 0.00 N ATOM 647 CA ASP A 44 7.687 -7.094 -2.756 1.00 0.00 C ATOM 648 C ASP A 44 7.392 -5.878 -3.636 1.00 0.00 C ATOM 649 O ASP A 44 7.608 -5.916 -4.847 1.00 0.00 O ATOM 650 CB ASP A 44 6.386 -7.884 -2.594 1.00 0.00 C ATOM 651 CG ASP A 44 6.141 -8.442 -1.190 1.00 0.00 C ATOM 652 OD1 ASP A 44 7.040 -9.155 -0.697 1.00 0.00 O ATOM 653 OD2 ASP A 44 5.058 -8.141 -0.642 1.00 0.00 O ATOM 0 H ASP A 44 7.563 -6.025 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 44 8.445 -7.733 -3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.550 -7.238 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.390 -8.712 -3.303 1.00 0.00 H new ATOM 658 N GLY A 45 6.906 -4.827 -2.994 1.00 0.00 N ATOM 659 CA GLY A 45 6.580 -3.601 -3.703 1.00 0.00 C ATOM 660 C GLY A 45 5.607 -2.741 -2.895 1.00 0.00 C ATOM 661 O GLY A 45 5.956 -1.645 -2.457 1.00 0.00 O ATOM 0 H GLY A 45 6.730 -4.798 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.492 -3.037 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.140 -3.843 -4.670 1.00 0.00 H new ATOM 665 N ARG A 46 4.405 -3.269 -2.720 1.00 0.00 N ATOM 666 CA ARG A 46 3.379 -2.564 -1.971 1.00 0.00 C ATOM 667 C ARG A 46 2.280 -3.534 -1.532 1.00 0.00 C ATOM 668 O ARG A 46 2.055 -3.723 -0.337 1.00 0.00 O ATOM 669 CB ARG A 46 2.756 -1.445 -2.809 1.00 0.00 C ATOM 670 CG ARG A 46 3.063 -1.638 -4.296 1.00 0.00 C ATOM 671 CD ARG A 46 1.943 -1.064 -5.166 1.00 0.00 C ATOM 672 NE ARG A 46 2.509 -0.497 -6.410 1.00 0.00 N ATOM 673 CZ ARG A 46 1.842 0.323 -7.233 1.00 0.00 C ATOM 674 NH1 ARG A 46 0.580 0.675 -6.950 1.00 0.00 N ATOM 675 NH2 ARG A 46 2.436 0.789 -8.340 1.00 0.00 N ATOM 0 H ARG A 46 4.118 -4.178 -3.084 1.00 0.00 H new ATOM 0 HA ARG A 46 3.853 -2.125 -1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.677 -1.429 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.140 -0.480 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.006 -1.150 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.187 -2.699 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.222 -1.845 -5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.404 -0.292 -4.617 1.00 0.00 H new ATOM 0 HE ARG A 46 3.467 -0.746 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.128 0.319 -6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.072 1.299 -7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.396 0.519 -8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.928 1.413 -8.967 1.00 0.00 H new ATOM 689 N VAL A 47 1.626 -4.125 -2.521 1.00 0.00 N ATOM 690 CA VAL A 47 0.557 -5.071 -2.253 1.00 0.00 C ATOM 691 C VAL A 47 0.632 -6.219 -3.261 1.00 0.00 C ATOM 692 O VAL A 47 0.412 -6.017 -4.454 1.00 0.00 O ATOM 693 CB VAL A 47 -0.794 -4.352 -2.264 1.00 0.00 C ATOM 694 CG1 VAL A 47 -1.076 -3.694 -0.913 1.00 0.00 C ATOM 695 CG2 VAL A 47 -0.858 -3.327 -3.398 1.00 0.00 C ATOM 0 H VAL A 47 1.816 -3.967 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 47 0.671 -5.504 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.570 -5.097 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.042 -3.190 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.092 -4.456 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.295 -2.966 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.828 -2.830 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.069 -2.587 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.723 -3.833 -4.354 1.00 0.00 H new ATOM 705 N ASN A 48 0.944 -7.399 -2.745 1.00 0.00 N ATOM 706 CA ASN A 48 1.050 -8.579 -3.585 1.00 0.00 C ATOM 707 C ASN A 48 -0.253 -9.377 -3.504 1.00 0.00 C ATOM 708 O ASN A 48 -0.832 -9.732 -4.531 1.00 0.00 O ATOM 709 CB ASN A 48 2.190 -9.486 -3.119 1.00 0.00 C ATOM 710 CG ASN A 48 3.299 -9.559 -4.170 1.00 0.00 C ATOM 711 OD1 ASN A 48 3.616 -10.610 -4.704 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.869 -8.387 -4.437 1.00 0.00 N ATOM 0 H ASN A 48 1.127 -7.563 -1.755 1.00 0.00 H new ATOM 0 HA ASN A 48 1.245 -8.250 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.598 -9.110 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.805 -10.487 -2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.620 -8.330 -5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.555 -7.545 -3.954 1.00 0.00 H new ATOM 719 N SER A 49 -0.675 -9.635 -2.276 1.00 0.00 N ATOM 720 CA SER A 49 -1.899 -10.385 -2.048 1.00 0.00 C ATOM 721 C SER A 49 -2.051 -10.699 -0.558 1.00 0.00 C ATOM 722 O SER A 49 -3.167 -10.765 -0.044 1.00 0.00 O ATOM 723 CB SER A 49 -1.914 -11.678 -2.867 1.00 0.00 C ATOM 724 OG SER A 49 -2.943 -11.673 -3.852 1.00 0.00 O ATOM 0 H SER A 49 -0.192 -9.339 -1.428 1.00 0.00 H new ATOM 0 HA SER A 49 -2.740 -9.772 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.947 -11.811 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.055 -12.528 -2.200 1.00 0.00 H new ATOM 0 HG SER A 49 -2.726 -11.018 -4.548 1.00 0.00 H new ATOM 730 N THR A 50 -0.912 -10.884 0.094 1.00 0.00 N ATOM 731 CA THR A 50 -0.904 -11.189 1.515 1.00 0.00 C ATOM 732 C THR A 50 -0.589 -9.933 2.328 1.00 0.00 C ATOM 733 O THR A 50 -0.790 -9.907 3.541 1.00 0.00 O ATOM 734 CB THR A 50 0.089 -12.329 1.748 1.00 0.00 C ATOM 735 OG1 THR A 50 -0.507 -13.447 1.094 1.00 0.00 O ATOM 736 CG2 THR A 50 0.161 -12.752 3.216 1.00 0.00 C ATOM 0 H THR A 50 0.011 -10.829 -0.336 1.00 0.00 H new ATOM 0 HA THR A 50 -1.886 -11.520 1.854 1.00 0.00 H new ATOM 0 HB THR A 50 1.079 -12.023 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.072 -14.231 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.880 -13.564 3.326 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.476 -11.904 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.821 -13.090 3.546 1.00 0.00 H new ATOM 744 N ASP A 51 -0.099 -8.920 1.628 1.00 0.00 N ATOM 745 CA ASP A 51 0.247 -7.664 2.269 1.00 0.00 C ATOM 746 C ASP A 51 -0.970 -6.736 2.255 1.00 0.00 C ATOM 747 O ASP A 51 -1.314 -6.143 3.275 1.00 0.00 O ATOM 748 CB ASP A 51 1.386 -6.961 1.528 1.00 0.00 C ATOM 749 CG ASP A 51 1.901 -5.684 2.195 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.762 -5.821 3.092 1.00 0.00 O ATOM 751 OD2 ASP A 51 1.424 -4.601 1.794 1.00 0.00 O ATOM 0 H ASP A 51 0.066 -8.944 0.622 1.00 0.00 H new ATOM 0 HA ASP A 51 0.562 -7.883 3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.217 -7.659 1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.048 -6.716 0.521 1.00 0.00 H new ATOM 756 N LEU A 52 -1.586 -6.642 1.086 1.00 0.00 N ATOM 757 CA LEU A 52 -2.758 -5.796 0.925 1.00 0.00 C ATOM 758 C LEU A 52 -3.760 -6.105 2.038 1.00 0.00 C ATOM 759 O LEU A 52 -4.419 -5.203 2.552 1.00 0.00 O ATOM 760 CB LEU A 52 -3.336 -5.946 -0.483 1.00 0.00 C ATOM 761 CG LEU A 52 -4.490 -6.940 -0.632 1.00 0.00 C ATOM 762 CD1 LEU A 52 -4.057 -8.349 -0.219 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.723 -6.470 0.142 1.00 0.00 C ATOM 0 H LEU A 52 -1.297 -7.136 0.242 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.487 -4.745 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.680 -4.968 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.532 -6.250 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.769 -6.984 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.896 -9.036 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.231 -8.676 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.736 -8.340 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.528 -7.195 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.476 -6.379 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.045 -5.501 -0.240 1.00 0.00 H new ATOM 775 N GLY A 53 -3.846 -7.383 2.378 1.00 0.00 N ATOM 776 CA GLY A 53 -4.758 -7.822 3.420 1.00 0.00 C ATOM 777 C GLY A 53 -4.561 -7.006 4.699 1.00 0.00 C ATOM 778 O GLY A 53 -5.531 -6.573 5.319 1.00 0.00 O ATOM 0 H GLY A 53 -3.298 -8.129 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.787 -7.721 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.595 -8.879 3.630 1.00 0.00 H new ATOM 782 N ILE A 54 -3.298 -6.818 5.056 1.00 0.00 N ATOM 783 CA ILE A 54 -2.961 -6.062 6.250 1.00 0.00 C ATOM 784 C ILE A 54 -3.235 -4.577 6.002 1.00 0.00 C ATOM 785 O ILE A 54 -3.651 -3.858 6.909 1.00 0.00 O ATOM 786 CB ILE A 54 -1.526 -6.358 6.685 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.495 -7.414 7.791 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.802 -5.075 7.098 1.00 0.00 C ATOM 789 CD1 ILE A 54 -2.287 -6.950 9.015 1.00 0.00 C ATOM 0 H ILE A 54 -2.496 -7.177 4.538 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.591 -6.368 7.085 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.989 -6.770 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.911 -8.349 7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.463 -7.616 8.077 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.217 -5.314 7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.776 -4.385 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.330 -4.611 7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.249 -7.719 9.786 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.853 -6.028 9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.324 -6.772 8.731 1.00 0.00 H new ATOM 801 N LEU A 55 -2.989 -4.162 4.767 1.00 0.00 N ATOM 802 CA LEU A 55 -3.204 -2.775 4.388 1.00 0.00 C ATOM 803 C LEU A 55 -4.697 -2.453 4.471 1.00 0.00 C ATOM 804 O LEU A 55 -5.108 -1.591 5.246 1.00 0.00 O ATOM 805 CB LEU A 55 -2.589 -2.494 3.015 1.00 0.00 C ATOM 806 CG LEU A 55 -1.079 -2.251 2.993 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.763 -0.759 3.111 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.375 -3.074 4.074 1.00 0.00 C ATOM 0 H LEU A 55 -2.643 -4.761 4.017 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.695 -2.107 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.811 -3.337 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.084 -1.621 2.589 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.692 -2.587 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.317 -0.613 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.215 -0.224 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.165 -0.375 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.697 -2.883 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.760 -2.792 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.560 -4.134 3.903 1.00 0.00 H new ATOM 820 N LYS A 56 -5.469 -3.164 3.662 1.00 0.00 N ATOM 821 CA LYS A 56 -6.908 -2.965 3.634 1.00 0.00 C ATOM 822 C LYS A 56 -7.487 -3.270 5.017 1.00 0.00 C ATOM 823 O LYS A 56 -8.676 -3.061 5.256 1.00 0.00 O ATOM 824 CB LYS A 56 -7.541 -3.784 2.507 1.00 0.00 C ATOM 825 CG LYS A 56 -7.504 -5.279 2.830 1.00 0.00 C ATOM 826 CD LYS A 56 -8.884 -5.782 3.255 1.00 0.00 C ATOM 827 CE LYS A 56 -8.778 -7.118 3.993 1.00 0.00 C ATOM 828 NZ LYS A 56 -8.989 -8.246 3.059 1.00 0.00 N ATOM 0 H LYS A 56 -5.125 -3.879 3.021 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.145 -1.925 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.573 -3.466 2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.010 -3.596 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.163 -5.835 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.784 -5.465 3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.361 -5.044 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.519 -5.897 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.797 -7.205 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.517 -7.158 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.913 -9.145 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.934 -8.171 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.268 -8.216 2.310 1.00 0.00 H new ATOM 842 N ARG A 57 -6.621 -3.761 5.891 1.00 0.00 N ATOM 843 CA ARG A 57 -7.032 -4.097 7.244 1.00 0.00 C ATOM 844 C ARG A 57 -6.844 -2.894 8.171 1.00 0.00 C ATOM 845 O ARG A 57 -7.783 -2.472 8.844 1.00 0.00 O ATOM 846 CB ARG A 57 -6.228 -5.281 7.786 1.00 0.00 C ATOM 847 CG ARG A 57 -7.070 -6.559 7.791 1.00 0.00 C ATOM 848 CD ARG A 57 -7.148 -7.158 9.197 1.00 0.00 C ATOM 849 NE ARG A 57 -7.044 -8.632 9.125 1.00 0.00 N ATOM 850 CZ ARG A 57 -7.267 -9.452 10.162 1.00 0.00 C ATOM 851 NH1 ARG A 57 -7.607 -8.946 11.355 1.00 0.00 N ATOM 852 NH2 ARG A 57 -7.149 -10.777 10.005 1.00 0.00 N ATOM 0 H ARG A 57 -5.636 -3.934 5.689 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.086 -4.373 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.337 -5.430 7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.888 -5.061 8.798 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.074 -6.339 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.637 -7.287 7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.345 -6.758 9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.088 -6.874 9.671 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.787 -9.050 8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.696 -7.937 11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.777 -9.570 12.144 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.890 -11.162 9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.319 -11.401 10.794 1.00 0.00 H new ATOM 866 N TYR A 58 -5.624 -2.377 8.175 1.00 0.00 N ATOM 867 CA TYR A 58 -5.300 -1.231 9.008 1.00 0.00 C ATOM 868 C TYR A 58 -5.678 0.078 8.311 1.00 0.00 C ATOM 869 O TYR A 58 -5.983 1.070 8.970 1.00 0.00 O ATOM 870 CB TYR A 58 -3.784 -1.270 9.208 1.00 0.00 C ATOM 871 CG TYR A 58 -2.998 -0.472 8.167 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.051 0.908 8.171 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.236 -1.130 7.223 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.312 1.659 7.190 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.497 -0.379 6.242 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.570 0.979 6.275 1.00 0.00 C ATOM 877 OH TYR A 58 -0.872 1.689 5.349 1.00 0.00 O ATOM 0 H TYR A 58 -4.848 -2.730 7.615 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.847 -1.274 9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.549 -0.884 10.200 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.451 -2.308 9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.647 1.424 8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.194 -2.209 7.220 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.346 2.738 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.898 -0.882 5.497 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.052 1.206 5.117 1.00 0.00 H new ATOM 887 N ILE A 59 -5.644 0.037 6.987 1.00 0.00 N ATOM 888 CA ILE A 59 -5.978 1.207 6.194 1.00 0.00 C ATOM 889 C ILE A 59 -7.496 1.397 6.188 1.00 0.00 C ATOM 890 O ILE A 59 -7.988 2.485 5.889 1.00 0.00 O ATOM 891 CB ILE A 59 -5.367 1.098 4.795 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.244 0.240 3.879 1.00 0.00 C ATOM 893 CG2 ILE A 59 -3.930 0.579 4.864 1.00 0.00 C ATOM 894 CD1 ILE A 59 -6.925 1.099 2.812 1.00 0.00 C ATOM 0 H ILE A 59 -5.390 -0.788 6.444 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.545 2.104 6.637 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.328 2.097 4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.635 -0.527 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.999 -0.277 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.519 0.511 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.324 1.263 5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.921 -0.408 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.542 0.466 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.552 1.849 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.167 1.595 2.206 1.00 0.00 H new ATOM 906 N LEU A 60 -8.197 0.324 6.523 1.00 0.00 N ATOM 907 CA LEU A 60 -9.649 0.359 6.562 1.00 0.00 C ATOM 908 C LEU A 60 -10.106 1.684 7.176 1.00 0.00 C ATOM 909 O LEU A 60 -11.125 2.241 6.769 1.00 0.00 O ATOM 910 CB LEU A 60 -10.196 -0.874 7.282 1.00 0.00 C ATOM 911 CG LEU A 60 -11.610 -1.308 6.890 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.596 -2.110 5.587 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.284 -2.075 8.029 1.00 0.00 C ATOM 0 H LEU A 60 -7.786 -0.576 6.770 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.058 0.317 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.518 -1.708 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.181 -0.680 8.355 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.205 -0.412 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.613 -2.406 5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.185 -1.496 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.980 -3.000 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.288 -2.372 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.699 -2.964 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.346 -1.437 8.910 1.00 0.00 H new ATOM 925 N LYS A 61 -9.331 2.149 8.145 1.00 0.00 N ATOM 926 CA LYS A 61 -9.645 3.398 8.818 1.00 0.00 C ATOM 927 C LYS A 61 -8.600 3.661 9.904 1.00 0.00 C ATOM 928 O LYS A 61 -8.314 4.814 10.228 1.00 0.00 O ATOM 929 CB LYS A 61 -11.082 3.379 9.341 1.00 0.00 C ATOM 930 CG LYS A 61 -11.332 2.149 10.215 1.00 0.00 C ATOM 931 CD LYS A 61 -10.852 2.388 11.648 1.00 0.00 C ATOM 932 CE LYS A 61 -12.037 2.523 12.607 1.00 0.00 C ATOM 933 NZ LYS A 61 -11.931 1.533 13.703 1.00 0.00 N ATOM 0 H LYS A 61 -8.487 1.684 8.480 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.597 4.231 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.275 4.284 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.778 3.381 8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.396 1.911 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.814 1.287 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.215 1.562 11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.244 3.292 11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.065 3.531 13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.971 2.375 12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.742 1.638 14.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.927 0.573 13.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.049 1.693 14.231 1.00 0.00 H new ATOM 947 N GLU A 62 -8.059 2.576 10.437 1.00 0.00 N ATOM 948 CA GLU A 62 -7.051 2.676 11.480 1.00 0.00 C ATOM 949 C GLU A 62 -5.692 3.029 10.873 1.00 0.00 C ATOM 950 O GLU A 62 -4.651 2.714 11.447 1.00 0.00 O ATOM 951 CB GLU A 62 -6.970 1.381 12.290 1.00 0.00 C ATOM 952 CG GLU A 62 -7.470 1.596 13.720 1.00 0.00 C ATOM 953 CD GLU A 62 -7.606 0.264 14.460 1.00 0.00 C ATOM 954 OE1 GLU A 62 -8.169 -0.670 13.849 1.00 0.00 O ATOM 955 OE2 GLU A 62 -7.144 0.209 15.620 1.00 0.00 O ATOM 0 H GLU A 62 -8.299 1.622 10.166 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.341 3.475 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.565 0.607 11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.940 1.025 12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.778 2.245 14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.434 2.105 13.699 1.00 0.00 H new ATOM 962 N ILE A 63 -5.746 3.679 9.719 1.00 0.00 N ATOM 963 CA ILE A 63 -4.531 4.077 9.028 1.00 0.00 C ATOM 964 C ILE A 63 -3.455 4.428 10.057 1.00 0.00 C ATOM 965 O ILE A 63 -3.757 4.988 11.110 1.00 0.00 O ATOM 966 CB ILE A 63 -4.825 5.206 8.037 1.00 0.00 C ATOM 967 CG1 ILE A 63 -4.843 6.564 8.742 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.123 4.939 7.272 1.00 0.00 C ATOM 969 CD1 ILE A 63 -3.422 7.090 8.955 1.00 0.00 C ATOM 0 H ILE A 63 -6.611 3.940 9.246 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.144 3.251 8.431 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.019 5.236 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.414 7.278 8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.349 6.472 9.703 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.309 5.756 6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.034 4.004 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.952 4.867 7.976 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.463 8.056 9.458 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.861 6.385 9.569 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.928 7.204 7.990 1.00 0.00 H new ATOM 981 N ASP A 64 -2.221 4.083 9.718 1.00 0.00 N ATOM 982 CA ASP A 64 -1.099 4.354 10.600 1.00 0.00 C ATOM 983 C ASP A 64 -0.900 3.168 11.545 1.00 0.00 C ATOM 984 O ASP A 64 0.212 2.919 12.010 1.00 0.00 O ATOM 985 CB ASP A 64 -1.356 5.599 11.452 1.00 0.00 C ATOM 986 CG ASP A 64 -0.098 6.320 11.940 1.00 0.00 C ATOM 987 OD1 ASP A 64 0.832 6.458 11.117 1.00 0.00 O ATOM 988 OD2 ASP A 64 -0.095 6.716 13.125 1.00 0.00 O ATOM 0 H ASP A 64 -1.974 3.618 8.844 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.216 4.516 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.956 6.300 10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.951 5.311 12.319 1.00 0.00 H new ATOM 993 N THR A 65 -1.994 2.466 11.800 1.00 0.00 N ATOM 994 CA THR A 65 -1.953 1.311 12.681 1.00 0.00 C ATOM 995 C THR A 65 -1.401 0.092 11.938 1.00 0.00 C ATOM 996 O THR A 65 -2.018 -0.971 11.938 1.00 0.00 O ATOM 997 CB THR A 65 -3.360 1.094 13.241 1.00 0.00 C ATOM 998 OG1 THR A 65 -3.778 2.395 13.647 1.00 0.00 O ATOM 999 CG2 THR A 65 -3.356 0.283 14.539 1.00 0.00 C ATOM 0 H THR A 65 -2.914 2.674 11.412 1.00 0.00 H new ATOM 0 HA THR A 65 -1.275 1.477 13.518 1.00 0.00 H new ATOM 0 HB THR A 65 -3.971 0.584 12.496 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.261 2.827 12.912 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.379 0.158 14.893 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.914 -0.696 14.355 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.772 0.808 15.295 1.00 0.00 H new ATOM 1007 N LEU A 66 -0.245 0.290 11.323 1.00 0.00 N ATOM 1008 CA LEU A 66 0.399 -0.779 10.578 1.00 0.00 C ATOM 1009 C LEU A 66 1.796 -1.026 11.150 1.00 0.00 C ATOM 1010 O LEU A 66 2.795 -0.633 10.548 1.00 0.00 O ATOM 1011 CB LEU A 66 0.393 -0.466 9.080 1.00 0.00 C ATOM 1012 CG LEU A 66 0.670 -1.648 8.147 1.00 0.00 C ATOM 1013 CD1 LEU A 66 1.209 -1.167 6.799 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.604 -2.662 8.809 1.00 0.00 C ATOM 0 H LEU A 66 0.263 1.175 11.325 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.158 -1.709 10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.578 -0.044 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.138 0.306 8.887 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.273 -2.159 7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.397 -2.026 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.476 -0.513 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.138 -0.619 6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.784 -3.491 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.551 -2.180 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.144 -3.039 9.722 1.00 0.00 H new