USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 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 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot -39:sc= 0.499 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 150:sc= -0.855 USER MOD Single : A 10 ASN : amide:sc= -4.59! C(o=-4.6!,f=-8.5!) USER MOD Single : A 14 LYS NZ :NH3+ -146:sc= -2.07! (180deg=-3.17!) USER MOD Single : A 16 ASN : amide:sc= -8.05! C(o=-8!,f=-9!) 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 57:sc= 0.384 USER MOD Single : A 33 SER OG : rot -3:sc= 0.632 USER MOD Single : A 35 ASN : amide:sc= -4.59! C(o=-4.6!,f=-1!) USER MOD Single : A 38 ASN : amide:sc= -1.86! C(o=-1.9!,f=-7.7!) USER MOD Single : A 42 ASN : amide:sc= -7.72! C(o=-7.7!,f=-13!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 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 161:sc= 0.056 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= 0.00632 (180deg=0.00152) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -1.393 11.581 8.139 1.00 0.00 N ATOM 44 CA LYS A 4 -0.505 10.439 8.272 1.00 0.00 C ATOM 45 C LYS A 4 -0.760 9.464 7.122 1.00 0.00 C ATOM 46 O LYS A 4 -1.886 9.350 6.637 1.00 0.00 O ATOM 47 CB LYS A 4 -0.648 9.807 9.657 1.00 0.00 C ATOM 48 CG LYS A 4 0.584 8.970 10.008 1.00 0.00 C ATOM 49 CD LYS A 4 1.721 9.857 10.520 1.00 0.00 C ATOM 50 CE LYS A 4 2.835 9.013 11.144 1.00 0.00 C ATOM 51 NZ LYS A 4 2.587 8.816 12.590 1.00 0.00 N ATOM 0 HA LYS A 4 0.535 10.755 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.786 10.588 10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.538 9.179 9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.323 8.233 10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.916 8.418 9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.125 10.448 9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.335 10.560 11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.891 8.046 10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.797 9.504 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.352 8.241 12.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.556 9.740 13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.678 8.328 12.723 1.00 0.00 H new ATOM 65 N LEU A 5 0.303 8.784 6.716 1.00 0.00 N ATOM 66 CA LEU A 5 0.208 7.823 5.632 1.00 0.00 C ATOM 67 C LEU A 5 1.448 6.926 5.641 1.00 0.00 C ATOM 68 O LEU A 5 2.535 7.367 6.010 1.00 0.00 O ATOM 69 CB LEU A 5 -0.023 8.538 4.299 1.00 0.00 C ATOM 70 CG LEU A 5 1.234 9.003 3.560 1.00 0.00 C ATOM 71 CD1 LEU A 5 2.063 9.949 4.430 1.00 0.00 C ATOM 72 CD2 LEU A 5 2.054 7.808 3.070 1.00 0.00 C ATOM 0 H LEU A 5 1.235 8.881 7.119 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.657 7.175 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.580 7.869 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.656 9.407 4.480 1.00 0.00 H new ATOM 0 HG LEU A 5 0.925 9.565 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.950 10.264 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.466 10.824 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.365 9.434 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.942 8.165 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.355 7.199 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.451 7.207 2.390 1.00 0.00 H new ATOM 84 N TYR A 6 1.244 5.683 5.229 1.00 0.00 N ATOM 85 CA TYR A 6 2.332 4.721 5.186 1.00 0.00 C ATOM 86 C TYR A 6 2.168 3.762 4.005 1.00 0.00 C ATOM 87 O TYR A 6 1.260 2.933 3.994 1.00 0.00 O ATOM 88 CB TYR A 6 2.242 3.925 6.489 1.00 0.00 C ATOM 89 CG TYR A 6 3.382 2.922 6.686 1.00 0.00 C ATOM 90 CD1 TYR A 6 4.684 3.300 6.431 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.106 1.641 7.118 1.00 0.00 C ATOM 92 CE1 TYR A 6 5.757 2.357 6.615 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.180 0.698 7.302 1.00 0.00 C ATOM 94 CZ TYR A 6 5.452 1.103 7.041 1.00 0.00 C ATOM 95 OH TYR A 6 6.464 0.211 7.216 1.00 0.00 O ATOM 0 H TYR A 6 0.341 5.320 4.922 1.00 0.00 H new ATOM 0 HA TYR A 6 3.290 5.229 5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.235 4.621 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.293 3.390 6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.899 4.303 6.093 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.087 1.346 7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.781 2.640 6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.979 -0.308 7.640 1.00 0.00 H new ATOM 0 HH TYR A 6 6.225 -0.420 7.927 1.00 0.00 H new ATOM 105 N GLY A 7 3.062 3.908 3.037 1.00 0.00 N ATOM 106 CA GLY A 7 3.028 3.066 1.854 1.00 0.00 C ATOM 107 C GLY A 7 1.981 3.565 0.856 1.00 0.00 C ATOM 108 O GLY A 7 1.054 2.836 0.508 1.00 0.00 O ATOM 0 H GLY A 7 3.814 4.597 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.010 3.056 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.802 2.039 2.141 1.00 0.00 H new ATOM 112 N ASP A 8 2.165 4.803 0.424 1.00 0.00 N ATOM 113 CA ASP A 8 1.247 5.408 -0.528 1.00 0.00 C ATOM 114 C ASP A 8 1.755 5.157 -1.950 1.00 0.00 C ATOM 115 O ASP A 8 2.959 5.031 -2.169 1.00 0.00 O ATOM 116 CB ASP A 8 1.154 6.920 -0.319 1.00 0.00 C ATOM 117 CG ASP A 8 -0.156 7.408 0.299 1.00 0.00 C ATOM 118 OD1 ASP A 8 -1.202 7.207 -0.355 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.084 7.972 1.413 1.00 0.00 O ATOM 0 H ASP A 8 2.936 5.405 0.715 1.00 0.00 H new ATOM 0 HA ASP A 8 0.264 4.962 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.979 7.235 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.290 7.414 -1.281 1.00 0.00 H new ATOM 124 N VAL A 9 0.812 5.093 -2.878 1.00 0.00 N ATOM 125 CA VAL A 9 1.149 4.860 -4.272 1.00 0.00 C ATOM 126 C VAL A 9 1.223 6.200 -5.006 1.00 0.00 C ATOM 127 O VAL A 9 2.268 6.560 -5.544 1.00 0.00 O ATOM 128 CB VAL A 9 0.144 3.890 -4.897 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.313 3.829 -6.418 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.266 2.497 -4.277 1.00 0.00 C ATOM 0 H VAL A 9 -0.185 5.198 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 9 2.129 4.391 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.857 4.264 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.413 3.133 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.152 4.820 -6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.321 3.491 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.460 1.828 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.272 2.112 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.073 2.557 -3.206 1.00 0.00 H new ATOM 140 N ASN A 10 0.099 6.902 -5.004 1.00 0.00 N ATOM 141 CA ASN A 10 0.023 8.195 -5.662 1.00 0.00 C ATOM 142 C ASN A 10 -0.071 9.296 -4.604 1.00 0.00 C ATOM 143 O ASN A 10 -0.627 10.363 -4.862 1.00 0.00 O ATOM 144 CB ASN A 10 -1.217 8.288 -6.554 1.00 0.00 C ATOM 145 CG ASN A 10 -2.389 7.515 -5.944 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.595 7.495 -4.741 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.141 6.881 -6.839 1.00 0.00 N ATOM 0 H ASN A 10 -0.766 6.599 -4.557 1.00 0.00 H new ATOM 0 HA ASN A 10 0.917 8.314 -6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.496 9.333 -6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.989 7.890 -7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.947 6.336 -6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.912 6.940 -7.831 1.00 0.00 H new ATOM 154 N ASP A 11 0.481 9.000 -3.437 1.00 0.00 N ATOM 155 CA ASP A 11 0.466 9.953 -2.340 1.00 0.00 C ATOM 156 C ASP A 11 -0.958 10.478 -2.145 1.00 0.00 C ATOM 157 O ASP A 11 -1.173 11.688 -2.079 1.00 0.00 O ATOM 158 CB ASP A 11 1.375 11.147 -2.634 1.00 0.00 C ATOM 159 CG ASP A 11 2.866 10.818 -2.730 1.00 0.00 C ATOM 160 OD1 ASP A 11 3.279 10.369 -3.821 1.00 0.00 O ATOM 161 OD2 ASP A 11 3.558 11.022 -1.709 1.00 0.00 O ATOM 0 H ASP A 11 0.941 8.114 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 11 0.822 9.442 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.058 11.603 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.233 11.893 -1.853 1.00 0.00 H new ATOM 166 N ASP A 12 -1.893 9.543 -2.060 1.00 0.00 N ATOM 167 CA ASP A 12 -3.290 9.897 -1.874 1.00 0.00 C ATOM 168 C ASP A 12 -3.696 9.611 -0.427 1.00 0.00 C ATOM 169 O ASP A 12 -4.246 10.478 0.250 1.00 0.00 O ATOM 170 CB ASP A 12 -4.194 9.070 -2.791 1.00 0.00 C ATOM 171 CG ASP A 12 -5.603 8.816 -2.252 1.00 0.00 C ATOM 172 OD1 ASP A 12 -6.398 9.781 -2.266 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.853 7.663 -1.839 1.00 0.00 O ATOM 0 H ASP A 12 -1.711 8.541 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.405 10.954 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.275 9.579 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.714 8.109 -2.979 1.00 0.00 H new ATOM 178 N GLY A 13 -3.410 8.391 0.005 1.00 0.00 N ATOM 179 CA GLY A 13 -3.738 7.980 1.358 1.00 0.00 C ATOM 180 C GLY A 13 -2.912 6.763 1.778 1.00 0.00 C ATOM 181 O GLY A 13 -2.345 6.739 2.870 1.00 0.00 O ATOM 0 H GLY A 13 -2.954 7.674 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.553 8.804 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.800 7.743 1.422 1.00 0.00 H new ATOM 185 N LYS A 14 -2.869 5.782 0.889 1.00 0.00 N ATOM 186 CA LYS A 14 -2.121 4.565 1.152 1.00 0.00 C ATOM 187 C LYS A 14 -2.192 3.652 -0.073 1.00 0.00 C ATOM 188 O LYS A 14 -2.989 3.884 -0.979 1.00 0.00 O ATOM 189 CB LYS A 14 -2.613 3.902 2.442 1.00 0.00 C ATOM 190 CG LYS A 14 -4.101 3.563 2.350 1.00 0.00 C ATOM 191 CD LYS A 14 -4.951 4.622 3.056 1.00 0.00 C ATOM 192 CE LYS A 14 -4.515 4.792 4.513 1.00 0.00 C ATOM 193 NZ LYS A 14 -4.070 6.181 4.763 1.00 0.00 N ATOM 0 H LYS A 14 -3.341 5.805 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.068 4.794 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.040 2.994 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.440 4.569 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.397 3.493 1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.283 2.587 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.862 5.574 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.002 4.335 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.343 4.544 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.705 4.098 4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.298 6.178 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.733 6.603 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.866 6.740 5.131 1.00 0.00 H new ATOM 207 N VAL A 15 -1.346 2.632 -0.061 1.00 0.00 N ATOM 208 CA VAL A 15 -1.303 1.683 -1.161 1.00 0.00 C ATOM 209 C VAL A 15 -2.344 0.586 -0.923 1.00 0.00 C ATOM 210 O VAL A 15 -2.204 -0.219 -0.004 1.00 0.00 O ATOM 211 CB VAL A 15 0.116 1.134 -1.322 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.555 0.369 -0.072 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.225 0.255 -2.570 1.00 0.00 C ATOM 0 H VAL A 15 -0.685 2.442 0.693 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.557 2.175 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 15 0.790 1.981 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.567 -0.010 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.535 1.037 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.124 -0.466 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.243 -0.123 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.467 -0.583 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.024 0.844 -3.453 1.00 0.00 H new ATOM 223 N ASN A 16 -3.364 0.591 -1.769 1.00 0.00 N ATOM 224 CA ASN A 16 -4.427 -0.393 -1.663 1.00 0.00 C ATOM 225 C ASN A 16 -5.171 -0.480 -2.997 1.00 0.00 C ATOM 226 O ASN A 16 -4.757 0.128 -3.983 1.00 0.00 O ATOM 227 CB ASN A 16 -5.438 0.002 -0.584 1.00 0.00 C ATOM 228 CG ASN A 16 -6.015 1.392 -0.856 1.00 0.00 C ATOM 229 OD1 ASN A 16 -7.182 1.557 -1.173 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.136 2.380 -0.713 1.00 0.00 N ATOM 0 H ASN A 16 -3.476 1.261 -2.530 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.975 -1.350 -1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.245 -0.730 -0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.956 -0.011 0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.424 3.346 -0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.174 2.172 -0.445 1.00 0.00 H new ATOM 237 N SER A 17 -6.256 -1.239 -2.986 1.00 0.00 N ATOM 238 CA SER A 17 -7.061 -1.414 -4.182 1.00 0.00 C ATOM 239 C SER A 17 -7.214 -0.076 -4.909 1.00 0.00 C ATOM 240 O SER A 17 -7.103 -0.014 -6.133 1.00 0.00 O ATOM 241 CB SER A 17 -8.436 -1.993 -3.842 1.00 0.00 C ATOM 242 OG SER A 17 -9.357 -1.852 -4.921 1.00 0.00 O ATOM 0 H SER A 17 -6.597 -1.741 -2.166 1.00 0.00 H new ATOM 0 HA SER A 17 -6.551 -2.121 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.333 -3.048 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.832 -1.491 -2.959 1.00 0.00 H new ATOM 0 HG SER A 17 -10.222 -2.235 -4.665 1.00 0.00 H new ATOM 248 N THR A 18 -7.467 0.962 -4.125 1.00 0.00 N ATOM 249 CA THR A 18 -7.635 2.294 -4.678 1.00 0.00 C ATOM 250 C THR A 18 -6.522 2.601 -5.682 1.00 0.00 C ATOM 251 O THR A 18 -6.769 3.214 -6.719 1.00 0.00 O ATOM 252 CB THR A 18 -7.694 3.285 -3.514 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.332 4.434 -4.068 1.00 0.00 O ATOM 254 CG2 THR A 18 -6.309 3.790 -3.105 1.00 0.00 C ATOM 0 H THR A 18 -7.560 0.907 -3.111 1.00 0.00 H new ATOM 0 HA THR A 18 -8.566 2.374 -5.240 1.00 0.00 H new ATOM 0 HB THR A 18 -8.176 2.812 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.413 5.127 -3.380 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.407 4.490 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.691 2.947 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.841 4.293 -3.951 1.00 0.00 H new ATOM 262 N ASP A 19 -5.322 2.160 -5.337 1.00 0.00 N ATOM 263 CA ASP A 19 -4.169 2.378 -6.195 1.00 0.00 C ATOM 264 C ASP A 19 -3.815 1.073 -6.910 1.00 0.00 C ATOM 265 O ASP A 19 -2.651 0.829 -7.225 1.00 0.00 O ATOM 266 CB ASP A 19 -2.951 2.817 -5.380 1.00 0.00 C ATOM 267 CG ASP A 19 -3.195 3.995 -4.436 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.597 3.727 -3.284 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.974 5.140 -4.888 1.00 0.00 O ATOM 0 H ASP A 19 -5.122 1.653 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.425 3.160 -6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.600 1.968 -4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.149 3.083 -6.068 1.00 0.00 H new ATOM 274 N ALA A 20 -4.840 0.266 -7.144 1.00 0.00 N ATOM 275 CA ALA A 20 -4.651 -1.008 -7.815 1.00 0.00 C ATOM 276 C ALA A 20 -4.203 -0.760 -9.256 1.00 0.00 C ATOM 277 O ALA A 20 -3.715 -1.670 -9.925 1.00 0.00 O ATOM 278 CB ALA A 20 -5.945 -1.822 -7.739 1.00 0.00 C ATOM 0 H ALA A 20 -5.804 0.470 -6.881 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.871 -1.588 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.803 -2.778 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.204 -1.997 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.750 -1.272 -8.225 1.00 0.00 H new ATOM 284 N VAL A 21 -4.385 0.478 -9.693 1.00 0.00 N ATOM 285 CA VAL A 21 -4.005 0.858 -11.043 1.00 0.00 C ATOM 286 C VAL A 21 -2.487 1.030 -11.113 1.00 0.00 C ATOM 287 O VAL A 21 -1.814 0.336 -11.874 1.00 0.00 O ATOM 288 CB VAL A 21 -4.770 2.113 -11.468 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.147 2.738 -12.719 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.252 1.805 -11.690 1.00 0.00 C ATOM 0 H VAL A 21 -4.790 1.230 -9.136 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.275 0.074 -11.750 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.697 2.839 -10.658 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.710 3.628 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.113 3.013 -12.512 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.174 2.018 -13.537 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.772 2.715 -11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.354 1.053 -12.472 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.688 1.428 -10.765 1.00 0.00 H new ATOM 300 N ALA A 22 -1.992 1.959 -10.307 1.00 0.00 N ATOM 301 CA ALA A 22 -0.565 2.231 -10.268 1.00 0.00 C ATOM 302 C ALA A 22 0.166 1.012 -9.700 1.00 0.00 C ATOM 303 O ALA A 22 1.371 0.861 -9.896 1.00 0.00 O ATOM 304 CB ALA A 22 -0.310 3.498 -9.449 1.00 0.00 C ATOM 0 H ALA A 22 -2.553 2.532 -9.677 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.179 2.408 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.760 3.703 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.828 4.339 -9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.681 3.356 -8.434 1.00 0.00 H new ATOM 310 N LEU A 23 -0.593 0.175 -9.008 1.00 0.00 N ATOM 311 CA LEU A 23 -0.032 -1.024 -8.411 1.00 0.00 C ATOM 312 C LEU A 23 0.133 -2.097 -9.490 1.00 0.00 C ATOM 313 O LEU A 23 1.244 -2.556 -9.749 1.00 0.00 O ATOM 314 CB LEU A 23 -0.879 -1.476 -7.219 1.00 0.00 C ATOM 315 CG LEU A 23 -0.493 -2.817 -6.592 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.749 -3.971 -7.564 1.00 0.00 C ATOM 317 CD2 LEU A 23 0.955 -2.795 -6.099 1.00 0.00 C ATOM 0 H LEU A 23 -1.592 0.304 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 23 0.960 -0.820 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.824 -0.708 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.919 -1.533 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.128 -2.982 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.466 -4.913 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.807 -3.999 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.156 -3.824 -8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.204 -3.760 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.622 -2.597 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.072 -2.012 -5.349 1.00 0.00 H new ATOM 329 N LYS A 24 -0.990 -2.464 -10.090 1.00 0.00 N ATOM 330 CA LYS A 24 -0.984 -3.474 -11.135 1.00 0.00 C ATOM 331 C LYS A 24 0.091 -3.128 -12.167 1.00 0.00 C ATOM 332 O LYS A 24 0.654 -4.017 -12.804 1.00 0.00 O ATOM 333 CB LYS A 24 -2.383 -3.634 -11.734 1.00 0.00 C ATOM 334 CG LYS A 24 -2.542 -5.002 -12.399 1.00 0.00 C ATOM 335 CD LYS A 24 -3.933 -5.582 -12.134 1.00 0.00 C ATOM 336 CE LYS A 24 -4.964 -4.999 -13.102 1.00 0.00 C ATOM 337 NZ LYS A 24 -6.228 -4.696 -12.392 1.00 0.00 N ATOM 0 H LYS A 24 -1.910 -2.080 -9.873 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.727 -4.449 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.133 -3.517 -10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.561 -2.847 -12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.381 -4.909 -13.473 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.781 -5.685 -12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.904 -6.667 -12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.231 -5.368 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.570 -4.091 -13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.154 -5.706 -13.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.917 -4.301 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.611 -5.569 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.045 -4.005 -11.637 1.00 0.00 H new ATOM 351 N ARG A 25 0.345 -1.834 -12.299 1.00 0.00 N ATOM 352 CA ARG A 25 1.342 -1.359 -13.242 1.00 0.00 C ATOM 353 C ARG A 25 2.750 -1.676 -12.730 1.00 0.00 C ATOM 354 O ARG A 25 3.662 -1.914 -13.520 1.00 0.00 O ATOM 355 CB ARG A 25 1.216 0.149 -13.466 1.00 0.00 C ATOM 356 CG ARG A 25 1.033 0.470 -14.950 1.00 0.00 C ATOM 357 CD ARG A 25 -0.063 1.518 -15.154 1.00 0.00 C ATOM 358 NE ARG A 25 0.281 2.395 -16.295 1.00 0.00 N ATOM 359 CZ ARG A 25 -0.289 3.585 -16.527 1.00 0.00 C ATOM 360 NH1 ARG A 25 -1.235 4.047 -15.698 1.00 0.00 N ATOM 361 NH2 ARG A 25 0.085 4.313 -17.587 1.00 0.00 N ATOM 0 H ARG A 25 -0.123 -1.100 -11.768 1.00 0.00 H new ATOM 0 HA ARG A 25 1.172 -1.870 -14.190 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.368 0.535 -12.900 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.106 0.652 -13.089 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.972 0.836 -15.365 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.777 -0.440 -15.493 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.018 1.026 -15.338 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.180 2.114 -14.249 1.00 0.00 H new ATOM 0 HE ARG A 25 0.997 2.073 -16.946 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.521 3.493 -14.891 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.669 4.953 -15.874 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.805 3.962 -18.219 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.350 5.219 -17.763 1.00 0.00 H new ATOM 375 N TYR A 26 2.881 -1.668 -11.412 1.00 0.00 N ATOM 376 CA TYR A 26 4.162 -1.951 -10.786 1.00 0.00 C ATOM 377 C TYR A 26 4.374 -3.458 -10.631 1.00 0.00 C ATOM 378 O TYR A 26 5.476 -3.960 -10.852 1.00 0.00 O ATOM 379 CB TYR A 26 4.102 -1.311 -9.397 1.00 0.00 C ATOM 380 CG TYR A 26 5.419 -1.386 -8.621 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.911 -2.610 -8.215 1.00 0.00 C ATOM 382 CD2 TYR A 26 6.114 -0.231 -8.328 1.00 0.00 C ATOM 383 CE1 TYR A 26 7.150 -2.681 -7.484 1.00 0.00 C ATOM 384 CE2 TYR A 26 7.352 -0.302 -7.597 1.00 0.00 C ATOM 385 CZ TYR A 26 7.809 -1.523 -7.211 1.00 0.00 C ATOM 386 OH TYR A 26 8.979 -1.591 -6.521 1.00 0.00 O ATOM 0 H TYR A 26 2.122 -1.470 -10.760 1.00 0.00 H new ATOM 0 HA TYR A 26 4.980 -1.561 -11.391 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.813 -0.265 -9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.321 -1.801 -8.816 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.367 -3.514 -8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.729 0.726 -8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.547 -3.632 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.906 0.595 -7.360 1.00 0.00 H new ATOM 0 HH TYR A 26 9.340 -0.688 -6.399 1.00 0.00 H new ATOM 396 N VAL A 27 3.303 -4.139 -10.250 1.00 0.00 N ATOM 397 CA VAL A 27 3.358 -5.579 -10.063 1.00 0.00 C ATOM 398 C VAL A 27 3.539 -6.259 -11.422 1.00 0.00 C ATOM 399 O VAL A 27 4.230 -7.270 -11.527 1.00 0.00 O ATOM 400 CB VAL A 27 2.113 -6.057 -9.314 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.064 -6.600 -10.287 1.00 0.00 C ATOM 402 CG2 VAL A 27 2.476 -7.104 -8.259 1.00 0.00 C ATOM 0 H VAL A 27 2.392 -3.720 -10.066 1.00 0.00 H new ATOM 0 HA VAL A 27 4.215 -5.852 -9.447 1.00 0.00 H new ATOM 0 HB VAL A 27 1.681 -5.199 -8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.189 -6.933 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.773 -5.814 -10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.482 -7.440 -10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.573 -7.427 -7.741 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.943 -7.962 -8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.171 -6.670 -7.540 1.00 0.00 H new ATOM 412 N LEU A 28 2.901 -5.677 -12.428 1.00 0.00 N ATOM 413 CA LEU A 28 2.982 -6.214 -13.774 1.00 0.00 C ATOM 414 C LEU A 28 4.325 -5.825 -14.396 1.00 0.00 C ATOM 415 O LEU A 28 4.748 -6.415 -15.388 1.00 0.00 O ATOM 416 CB LEU A 28 1.772 -5.774 -14.601 1.00 0.00 C ATOM 417 CG LEU A 28 1.708 -6.306 -16.034 1.00 0.00 C ATOM 418 CD1 LEU A 28 1.506 -7.823 -16.048 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.632 -5.578 -16.843 1.00 0.00 C ATOM 0 H LEU A 28 2.326 -4.839 -12.337 1.00 0.00 H new ATOM 0 HA LEU A 28 2.945 -7.303 -13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.868 -6.085 -14.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.759 -4.685 -14.638 1.00 0.00 H new ATOM 0 HG LEU A 28 2.665 -6.104 -16.515 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.464 -8.175 -17.079 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.337 -8.305 -15.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.573 -8.070 -15.542 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.608 -5.976 -17.858 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.340 -5.726 -16.372 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.860 -4.513 -16.876 1.00 0.00 H new ATOM 431 N ARG A 29 4.957 -4.833 -13.785 1.00 0.00 N ATOM 432 CA ARG A 29 6.243 -4.358 -14.265 1.00 0.00 C ATOM 433 C ARG A 29 6.704 -3.153 -13.443 1.00 0.00 C ATOM 434 O ARG A 29 6.033 -2.122 -13.415 1.00 0.00 O ATOM 435 CB ARG A 29 6.168 -3.961 -15.741 1.00 0.00 C ATOM 436 CG ARG A 29 7.497 -3.372 -16.220 1.00 0.00 C ATOM 437 CD ARG A 29 7.599 -1.887 -15.866 1.00 0.00 C ATOM 438 NE ARG A 29 7.922 -1.100 -17.076 1.00 0.00 N ATOM 439 CZ ARG A 29 9.167 -0.895 -17.527 1.00 0.00 C ATOM 440 NH1 ARG A 29 10.213 -1.419 -16.872 1.00 0.00 N ATOM 441 NH2 ARG A 29 9.368 -0.168 -18.634 1.00 0.00 N ATOM 0 H ARG A 29 4.602 -4.346 -12.962 1.00 0.00 H new ATOM 0 HA ARG A 29 6.959 -5.173 -14.156 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.915 -4.834 -16.343 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.370 -3.232 -15.885 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.325 -3.916 -15.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.587 -3.499 -17.299 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.658 -1.541 -15.438 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.368 -1.737 -15.108 1.00 0.00 H new ATOM 0 HE ARG A 29 7.149 -0.688 -17.599 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.061 -1.974 -16.030 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.160 -1.263 -17.216 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.573 0.230 -19.134 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.316 -0.012 -18.977 1.00 0.00 H new ATOM 455 N SER A 30 7.847 -3.321 -12.794 1.00 0.00 N ATOM 456 CA SER A 30 8.405 -2.261 -11.973 1.00 0.00 C ATOM 457 C SER A 30 8.893 -1.113 -12.861 1.00 0.00 C ATOM 458 O SER A 30 10.093 -0.960 -13.078 1.00 0.00 O ATOM 459 CB SER A 30 9.552 -2.782 -11.104 1.00 0.00 C ATOM 460 OG SER A 30 10.570 -3.405 -11.881 1.00 0.00 O ATOM 0 H SER A 30 8.402 -4.176 -12.821 1.00 0.00 H new ATOM 0 HA SER A 30 7.621 -1.893 -11.311 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.982 -1.956 -10.538 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.162 -3.496 -10.379 1.00 0.00 H new ATOM 0 HG SER A 30 10.904 -2.772 -12.551 1.00 0.00 H new ATOM 466 N GLY A 31 7.935 -0.338 -13.350 1.00 0.00 N ATOM 467 CA GLY A 31 8.251 0.790 -14.209 1.00 0.00 C ATOM 468 C GLY A 31 7.584 2.069 -13.700 1.00 0.00 C ATOM 469 O GLY A 31 8.202 3.133 -13.690 1.00 0.00 O ATOM 0 H GLY A 31 6.940 -0.470 -13.167 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.331 0.930 -14.249 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.918 0.582 -15.226 1.00 0.00 H new ATOM 473 N ILE A 32 6.332 1.924 -13.292 1.00 0.00 N ATOM 474 CA ILE A 32 5.575 3.055 -12.785 1.00 0.00 C ATOM 475 C ILE A 32 6.293 3.640 -11.567 1.00 0.00 C ATOM 476 O ILE A 32 7.058 2.944 -10.900 1.00 0.00 O ATOM 477 CB ILE A 32 4.126 2.648 -12.506 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.260 3.873 -12.208 1.00 0.00 C ATOM 479 CG2 ILE A 32 4.054 1.608 -11.386 1.00 0.00 C ATOM 480 CD1 ILE A 32 1.886 3.459 -11.680 1.00 0.00 C ATOM 0 H ILE A 32 5.823 1.040 -13.302 1.00 0.00 H new ATOM 0 HA ILE A 32 5.523 3.844 -13.535 1.00 0.00 H new ATOM 0 HB ILE A 32 3.724 2.181 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.760 4.506 -11.475 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.141 4.468 -13.114 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.013 1.336 -11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.616 0.721 -11.677 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.481 2.025 -10.474 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.291 4.349 -11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.379 2.847 -12.426 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.007 2.886 -10.761 1.00 0.00 H new ATOM 492 N SER A 33 6.023 4.913 -11.315 1.00 0.00 N ATOM 493 CA SER A 33 6.635 5.599 -10.190 1.00 0.00 C ATOM 494 C SER A 33 5.644 5.683 -9.027 1.00 0.00 C ATOM 495 O SER A 33 4.563 6.255 -9.167 1.00 0.00 O ATOM 496 CB SER A 33 7.106 6.998 -10.588 1.00 0.00 C ATOM 497 OG SER A 33 6.027 7.927 -10.655 1.00 0.00 O ATOM 0 H SER A 33 5.389 5.487 -11.871 1.00 0.00 H new ATOM 0 HA SER A 33 7.508 5.028 -9.875 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.844 7.351 -9.867 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.604 6.951 -11.556 1.00 0.00 H new ATOM 0 HG SER A 33 5.182 7.460 -10.483 1.00 0.00 H new ATOM 503 N ILE A 34 6.047 5.106 -7.905 1.00 0.00 N ATOM 504 CA ILE A 34 5.207 5.109 -6.718 1.00 0.00 C ATOM 505 C ILE A 34 6.093 5.194 -5.473 1.00 0.00 C ATOM 506 O ILE A 34 7.248 4.771 -5.498 1.00 0.00 O ATOM 507 CB ILE A 34 4.267 3.902 -6.724 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.025 2.616 -6.389 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.519 3.796 -8.054 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.123 1.624 -5.652 1.00 0.00 C ATOM 0 H ILE A 34 6.944 4.633 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 34 4.560 5.986 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 34 3.519 4.048 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.399 2.161 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.893 2.851 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.858 2.930 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.929 4.699 -8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.236 3.684 -8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.686 0.719 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.770 2.073 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.269 1.372 -6.281 1.00 0.00 H new ATOM 522 N ASN A 35 5.517 5.742 -4.414 1.00 0.00 N ATOM 523 CA ASN A 35 6.240 5.887 -3.161 1.00 0.00 C ATOM 524 C ASN A 35 6.455 4.506 -2.539 1.00 0.00 C ATOM 525 O ASN A 35 5.953 4.226 -1.451 1.00 0.00 O ATOM 526 CB ASN A 35 5.447 6.736 -2.164 1.00 0.00 C ATOM 527 CG ASN A 35 4.649 7.825 -2.884 1.00 0.00 C ATOM 528 OD1 ASN A 35 5.075 8.961 -3.010 1.00 0.00 O ATOM 529 ND2 ASN A 35 3.471 7.416 -3.346 1.00 0.00 N ATOM 0 H ASN A 35 4.559 6.091 -4.397 1.00 0.00 H new ATOM 0 HA ASN A 35 7.191 6.374 -3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.769 6.098 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.129 7.194 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.863 8.068 -3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.176 6.450 -3.206 1.00 0.00 H new ATOM 536 N THR A 36 7.204 3.681 -3.256 1.00 0.00 N ATOM 537 CA THR A 36 7.494 2.335 -2.787 1.00 0.00 C ATOM 538 C THR A 36 8.452 2.380 -1.596 1.00 0.00 C ATOM 539 O THR A 36 8.760 1.347 -1.004 1.00 0.00 O ATOM 540 CB THR A 36 8.031 1.529 -3.970 1.00 0.00 C ATOM 541 OG1 THR A 36 8.132 0.199 -3.467 1.00 0.00 O ATOM 542 CG2 THR A 36 9.472 1.903 -4.327 1.00 0.00 C ATOM 0 H THR A 36 7.619 3.918 -4.157 1.00 0.00 H new ATOM 0 HA THR A 36 6.594 1.841 -2.420 1.00 0.00 H new ATOM 0 HB THR A 36 7.390 1.686 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.461 0.222 -2.544 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.805 1.302 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.519 2.959 -4.592 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.120 1.714 -3.471 1.00 0.00 H new ATOM 550 N ASP A 37 8.896 3.587 -1.280 1.00 0.00 N ATOM 551 CA ASP A 37 9.813 3.780 -0.170 1.00 0.00 C ATOM 552 C ASP A 37 9.325 2.975 1.036 1.00 0.00 C ATOM 553 O ASP A 37 10.015 2.070 1.503 1.00 0.00 O ATOM 554 CB ASP A 37 9.879 5.253 0.242 1.00 0.00 C ATOM 555 CG ASP A 37 11.168 5.978 -0.154 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.211 5.291 -0.207 1.00 0.00 O ATOM 557 OD2 ASP A 37 11.080 7.201 -0.393 1.00 0.00 O ATOM 0 H ASP A 37 8.638 4.442 -1.773 1.00 0.00 H new ATOM 0 HA ASP A 37 10.801 3.450 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.033 5.777 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.761 5.318 1.324 1.00 0.00 H new ATOM 562 N ASN A 38 8.138 3.333 1.504 1.00 0.00 N ATOM 563 CA ASN A 38 7.550 2.653 2.646 1.00 0.00 C ATOM 564 C ASN A 38 6.222 2.020 2.229 1.00 0.00 C ATOM 565 O ASN A 38 5.222 2.142 2.935 1.00 0.00 O ATOM 566 CB ASN A 38 7.268 3.635 3.785 1.00 0.00 C ATOM 567 CG ASN A 38 6.975 5.036 3.242 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.739 5.607 2.483 1.00 0.00 O ATOM 569 ND2 ASN A 38 5.829 5.554 3.672 1.00 0.00 N ATOM 0 H ASN A 38 7.568 4.084 1.114 1.00 0.00 H new ATOM 0 HA ASN A 38 8.256 1.896 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.419 3.283 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.125 3.674 4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.543 6.484 3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.235 5.021 4.308 1.00 0.00 H new ATOM 576 N ALA A 39 6.254 1.356 1.082 1.00 0.00 N ATOM 577 CA ALA A 39 5.065 0.703 0.561 1.00 0.00 C ATOM 578 C ALA A 39 5.149 -0.798 0.843 1.00 0.00 C ATOM 579 O ALA A 39 4.235 -1.375 1.430 1.00 0.00 O ATOM 580 CB ALA A 39 4.926 1.009 -0.931 1.00 0.00 C ATOM 0 H ALA A 39 7.085 1.256 0.499 1.00 0.00 H new ATOM 0 HA ALA A 39 4.171 1.082 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.034 0.519 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.841 2.086 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.804 0.640 -1.461 1.00 0.00 H new ATOM 586 N ASP A 40 6.254 -1.389 0.411 1.00 0.00 N ATOM 587 CA ASP A 40 6.468 -2.812 0.609 1.00 0.00 C ATOM 588 C ASP A 40 6.632 -3.095 2.104 1.00 0.00 C ATOM 589 O ASP A 40 7.253 -2.314 2.823 1.00 0.00 O ATOM 590 CB ASP A 40 7.739 -3.282 -0.103 1.00 0.00 C ATOM 591 CG ASP A 40 8.273 -4.639 0.358 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.484 -5.606 0.309 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.461 -4.679 0.747 1.00 0.00 O ATOM 0 H ASP A 40 7.010 -0.908 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 40 5.608 -3.343 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.541 -3.331 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.517 -2.533 0.043 1.00 0.00 H new ATOM 598 N LEU A 41 6.063 -4.215 2.527 1.00 0.00 N ATOM 599 CA LEU A 41 6.138 -4.610 3.923 1.00 0.00 C ATOM 600 C LEU A 41 6.269 -6.132 4.011 1.00 0.00 C ATOM 601 O LEU A 41 6.079 -6.715 5.077 1.00 0.00 O ATOM 602 CB LEU A 41 4.947 -4.050 4.704 1.00 0.00 C ATOM 603 CG LEU A 41 4.662 -2.559 4.512 1.00 0.00 C ATOM 604 CD1 LEU A 41 3.200 -2.237 4.826 1.00 0.00 C ATOM 605 CD2 LEU A 41 5.626 -1.706 5.338 1.00 0.00 C ATOM 0 H LEU A 41 5.549 -4.861 1.928 1.00 0.00 H new ATOM 0 HA LEU A 41 7.025 -4.185 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.056 -4.610 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.114 -4.234 5.765 1.00 0.00 H new ATOM 0 HG LEU A 41 4.830 -2.311 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.023 -1.171 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.551 -2.806 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.983 -2.504 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.402 -0.651 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.514 -1.950 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.650 -1.909 5.026 1.00 0.00 H new ATOM 617 N ASN A 42 6.594 -6.732 2.875 1.00 0.00 N ATOM 618 CA ASN A 42 6.753 -8.175 2.810 1.00 0.00 C ATOM 619 C ASN A 42 7.862 -8.518 1.812 1.00 0.00 C ATOM 620 O ASN A 42 8.029 -9.677 1.439 1.00 0.00 O ATOM 621 CB ASN A 42 5.465 -8.850 2.335 1.00 0.00 C ATOM 622 CG ASN A 42 4.251 -8.310 3.094 1.00 0.00 C ATOM 623 OD1 ASN A 42 3.923 -7.137 3.035 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.605 -9.229 3.806 1.00 0.00 N ATOM 0 H ASN A 42 6.751 -6.245 1.993 1.00 0.00 H new ATOM 0 HA ASN A 42 7.000 -8.532 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.335 -8.681 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.540 -9.928 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.781 -8.968 4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.934 -10.194 3.811 1.00 0.00 H new ATOM 631 N GLU A 43 8.590 -7.487 1.410 1.00 0.00 N ATOM 632 CA GLU A 43 9.678 -7.664 0.463 1.00 0.00 C ATOM 633 C GLU A 43 9.129 -8.069 -0.907 1.00 0.00 C ATOM 634 O GLU A 43 9.627 -9.007 -1.527 1.00 0.00 O ATOM 635 CB GLU A 43 10.688 -8.693 0.974 1.00 0.00 C ATOM 636 CG GLU A 43 12.109 -8.125 0.952 1.00 0.00 C ATOM 637 CD GLU A 43 13.123 -9.164 1.433 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.292 -10.169 0.708 1.00 0.00 O ATOM 639 OE2 GLU A 43 13.706 -8.931 2.513 1.00 0.00 O ATOM 0 H GLU A 43 8.448 -6.526 1.722 1.00 0.00 H new ATOM 0 HA GLU A 43 10.200 -6.713 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.427 -8.990 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.642 -9.591 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.361 -7.807 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.161 -7.240 1.587 1.00 0.00 H new ATOM 646 N ASP A 44 8.110 -7.340 -1.338 1.00 0.00 N ATOM 647 CA ASP A 44 7.488 -7.612 -2.624 1.00 0.00 C ATOM 648 C ASP A 44 7.456 -6.325 -3.451 1.00 0.00 C ATOM 649 O ASP A 44 7.614 -6.364 -4.671 1.00 0.00 O ATOM 650 CB ASP A 44 6.047 -8.097 -2.447 1.00 0.00 C ATOM 651 CG ASP A 44 5.741 -8.731 -1.089 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.710 -9.190 -0.446 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.546 -8.745 -0.726 1.00 0.00 O ATOM 0 H ASP A 44 7.700 -6.562 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 44 8.070 -8.386 -3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.374 -7.253 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.825 -8.824 -3.229 1.00 0.00 H new ATOM 658 N GLY A 45 7.249 -5.217 -2.756 1.00 0.00 N ATOM 659 CA GLY A 45 7.194 -3.921 -3.412 1.00 0.00 C ATOM 660 C GLY A 45 6.002 -3.104 -2.910 1.00 0.00 C ATOM 661 O GLY A 45 6.168 -1.972 -2.456 1.00 0.00 O ATOM 0 H GLY A 45 7.117 -5.189 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.119 -3.375 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.117 -4.058 -4.491 1.00 0.00 H new ATOM 665 N ARG A 46 4.827 -3.707 -3.009 1.00 0.00 N ATOM 666 CA ARG A 46 3.608 -3.048 -2.571 1.00 0.00 C ATOM 667 C ARG A 46 2.591 -4.083 -2.084 1.00 0.00 C ATOM 668 O ARG A 46 2.536 -4.391 -0.894 1.00 0.00 O ATOM 669 CB ARG A 46 2.988 -2.227 -3.703 1.00 0.00 C ATOM 670 CG ARG A 46 3.892 -1.055 -4.090 1.00 0.00 C ATOM 671 CD ARG A 46 4.767 -1.411 -5.293 1.00 0.00 C ATOM 672 NE ARG A 46 3.959 -2.109 -6.317 1.00 0.00 N ATOM 673 CZ ARG A 46 3.953 -3.438 -6.493 1.00 0.00 C ATOM 674 NH1 ARG A 46 4.713 -4.220 -5.714 1.00 0.00 N ATOM 675 NH2 ARG A 46 3.188 -3.984 -7.448 1.00 0.00 N ATOM 0 H ARG A 46 4.693 -4.645 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 46 3.869 -2.377 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.822 -2.865 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.013 -1.852 -3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.282 -0.183 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.524 -0.784 -3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.203 -0.506 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.595 -2.046 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 46 3.369 -1.543 -6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.296 -3.804 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.709 -5.231 -5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.610 -3.388 -8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.184 -4.995 -7.582 1.00 0.00 H new ATOM 689 N VAL A 47 1.812 -4.590 -3.028 1.00 0.00 N ATOM 690 CA VAL A 47 0.801 -5.583 -2.710 1.00 0.00 C ATOM 691 C VAL A 47 0.768 -6.643 -3.813 1.00 0.00 C ATOM 692 O VAL A 47 0.873 -6.316 -4.995 1.00 0.00 O ATOM 693 CB VAL A 47 -0.552 -4.901 -2.495 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.426 -3.729 -1.519 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.154 -4.446 -3.825 1.00 0.00 C ATOM 0 H VAL A 47 1.861 -4.331 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 47 1.045 -6.092 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.230 -5.632 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.401 -3.262 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.062 -4.093 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.275 -2.996 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.115 -3.965 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.479 -3.739 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.298 -5.310 -4.474 1.00 0.00 H new ATOM 705 N ASN A 48 0.622 -7.889 -3.388 1.00 0.00 N ATOM 706 CA ASN A 48 0.574 -8.998 -4.326 1.00 0.00 C ATOM 707 C ASN A 48 -0.775 -9.710 -4.199 1.00 0.00 C ATOM 708 O ASN A 48 -1.404 -10.038 -5.203 1.00 0.00 O ATOM 709 CB ASN A 48 1.676 -10.018 -4.030 1.00 0.00 C ATOM 710 CG ASN A 48 2.745 -10.004 -5.125 1.00 0.00 C ATOM 711 OD1 ASN A 48 2.871 -10.924 -5.915 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.504 -8.913 -5.125 1.00 0.00 N ATOM 0 H ASN A 48 0.535 -8.155 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 48 0.714 -8.597 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.134 -9.794 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.242 -11.015 -3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.247 -8.809 -5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.344 -8.180 -4.434 1.00 0.00 H new ATOM 719 N SER A 49 -1.179 -9.927 -2.956 1.00 0.00 N ATOM 720 CA SER A 49 -2.441 -10.593 -2.685 1.00 0.00 C ATOM 721 C SER A 49 -2.677 -10.673 -1.175 1.00 0.00 C ATOM 722 O SER A 49 -3.811 -10.558 -0.714 1.00 0.00 O ATOM 723 CB SER A 49 -2.469 -11.993 -3.302 1.00 0.00 C ATOM 724 OG SER A 49 -3.771 -12.349 -3.758 1.00 0.00 O ATOM 0 H SER A 49 -0.654 -9.653 -2.125 1.00 0.00 H new ATOM 0 HA SER A 49 -3.241 -10.009 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.768 -12.036 -4.136 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.131 -12.721 -2.564 1.00 0.00 H new ATOM 0 HG SER A 49 -3.747 -13.248 -4.147 1.00 0.00 H new ATOM 730 N THR A 50 -1.587 -10.871 -0.448 1.00 0.00 N ATOM 731 CA THR A 50 -1.660 -10.968 1.000 1.00 0.00 C ATOM 732 C THR A 50 -1.310 -9.624 1.644 1.00 0.00 C ATOM 733 O THR A 50 -1.771 -9.319 2.741 1.00 0.00 O ATOM 734 CB THR A 50 -0.748 -12.112 1.444 1.00 0.00 C ATOM 735 OG1 THR A 50 -1.430 -13.288 1.017 1.00 0.00 O ATOM 736 CG2 THR A 50 -0.682 -12.252 2.966 1.00 0.00 C ATOM 0 H THR A 50 -0.648 -10.967 -0.835 1.00 0.00 H new ATOM 0 HA THR A 50 -2.673 -11.195 1.330 1.00 0.00 H new ATOM 0 HB THR A 50 0.255 -11.948 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.906 -14.078 1.264 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.021 -13.079 3.227 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.297 -11.329 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.680 -12.448 3.357 1.00 0.00 H new ATOM 744 N ASP A 51 -0.496 -8.859 0.931 1.00 0.00 N ATOM 745 CA ASP A 51 -0.077 -7.556 1.420 1.00 0.00 C ATOM 746 C ASP A 51 -1.299 -6.640 1.526 1.00 0.00 C ATOM 747 O ASP A 51 -1.602 -6.127 2.603 1.00 0.00 O ATOM 748 CB ASP A 51 0.921 -6.904 0.460 1.00 0.00 C ATOM 749 CG ASP A 51 2.338 -6.745 1.012 1.00 0.00 C ATOM 750 OD1 ASP A 51 3.119 -7.709 0.857 1.00 0.00 O ATOM 751 OD2 ASP A 51 2.611 -5.663 1.577 1.00 0.00 O ATOM 0 H ASP A 51 -0.116 -9.116 0.020 1.00 0.00 H new ATOM 0 HA ASP A 51 0.395 -7.695 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.967 -7.499 -0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.544 -5.920 0.180 1.00 0.00 H new ATOM 756 N LEU A 52 -1.965 -6.462 0.396 1.00 0.00 N ATOM 757 CA LEU A 52 -3.147 -5.617 0.348 1.00 0.00 C ATOM 758 C LEU A 52 -4.040 -5.929 1.551 1.00 0.00 C ATOM 759 O LEU A 52 -4.658 -5.029 2.119 1.00 0.00 O ATOM 760 CB LEU A 52 -3.856 -5.762 -0.998 1.00 0.00 C ATOM 761 CG LEU A 52 -5.061 -6.706 -1.024 1.00 0.00 C ATOM 762 CD1 LEU A 52 -4.652 -8.126 -0.628 1.00 0.00 C ATOM 763 CD2 LEU A 52 -6.195 -6.171 -0.148 1.00 0.00 C ATOM 0 H LEU A 52 -1.709 -6.888 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.867 -4.566 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.186 -4.775 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.130 -6.111 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.438 -6.752 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.526 -8.777 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.902 -8.497 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.236 -8.117 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.039 -6.860 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.847 -6.077 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.509 -5.194 -0.515 1.00 0.00 H new ATOM 775 N GLY A 53 -4.080 -7.205 1.903 1.00 0.00 N ATOM 776 CA GLY A 53 -4.887 -7.648 3.027 1.00 0.00 C ATOM 777 C GLY A 53 -4.549 -6.852 4.291 1.00 0.00 C ATOM 778 O GLY A 53 -5.425 -6.578 5.109 1.00 0.00 O ATOM 0 H GLY A 53 -3.566 -7.948 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.944 -7.529 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.718 -8.710 3.205 1.00 0.00 H new ATOM 782 N ILE A 54 -3.276 -6.505 4.410 1.00 0.00 N ATOM 783 CA ILE A 54 -2.812 -5.746 5.559 1.00 0.00 C ATOM 784 C ILE A 54 -3.139 -4.266 5.354 1.00 0.00 C ATOM 785 O ILE A 54 -3.691 -3.620 6.243 1.00 0.00 O ATOM 786 CB ILE A 54 -1.328 -6.019 5.816 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.061 -6.234 7.308 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.456 -4.905 5.233 1.00 0.00 C ATOM 789 CD1 ILE A 54 -1.456 -4.998 8.119 1.00 0.00 C ATOM 0 H ILE A 54 -2.552 -6.735 3.730 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.333 -6.065 6.462 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.057 -6.942 5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.622 -7.099 7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.005 -6.454 7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.594 -5.124 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.618 -4.842 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.721 -3.955 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.256 -5.177 9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.876 -4.140 7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.518 -4.796 7.980 1.00 0.00 H new ATOM 801 N LEU A 55 -2.783 -3.772 4.177 1.00 0.00 N ATOM 802 CA LEU A 55 -3.031 -2.380 3.843 1.00 0.00 C ATOM 803 C LEU A 55 -4.504 -2.054 4.099 1.00 0.00 C ATOM 804 O LEU A 55 -4.821 -1.197 4.924 1.00 0.00 O ATOM 805 CB LEU A 55 -2.575 -2.081 2.415 1.00 0.00 C ATOM 806 CG LEU A 55 -1.080 -1.805 2.232 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.626 -0.642 3.117 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.255 -3.069 2.478 1.00 0.00 C ATOM 0 H LEU A 55 -2.325 -4.311 3.443 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.442 -1.724 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.848 -2.926 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.131 -1.217 2.050 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.911 -1.508 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.439 -0.466 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.183 0.257 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.811 -0.887 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.803 -2.845 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.423 -3.421 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.556 -3.843 1.772 1.00 0.00 H new ATOM 820 N LYS A 56 -5.366 -2.753 3.377 1.00 0.00 N ATOM 821 CA LYS A 56 -6.798 -2.550 3.515 1.00 0.00 C ATOM 822 C LYS A 56 -7.206 -2.799 4.968 1.00 0.00 C ATOM 823 O LYS A 56 -8.310 -2.440 5.376 1.00 0.00 O ATOM 824 CB LYS A 56 -7.561 -3.409 2.505 1.00 0.00 C ATOM 825 CG LYS A 56 -7.843 -4.802 3.072 1.00 0.00 C ATOM 826 CD LYS A 56 -9.317 -4.950 3.456 1.00 0.00 C ATOM 827 CE LYS A 56 -9.492 -5.984 4.569 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.787 -6.687 4.424 1.00 0.00 N ATOM 0 H LYS A 56 -5.100 -3.462 2.693 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.061 -1.518 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.500 -2.922 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.982 -3.497 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.578 -5.559 2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.216 -4.976 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.709 -3.987 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.896 -5.249 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.675 -6.704 4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.445 -5.493 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.890 -7.386 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.564 -5.998 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.818 -7.172 3.505 1.00 0.00 H new ATOM 842 N ARG A 57 -6.295 -3.412 5.708 1.00 0.00 N ATOM 843 CA ARG A 57 -6.547 -3.715 7.107 1.00 0.00 C ATOM 844 C ARG A 57 -6.132 -2.534 7.988 1.00 0.00 C ATOM 845 O ARG A 57 -6.961 -1.958 8.690 1.00 0.00 O ATOM 846 CB ARG A 57 -5.782 -4.965 7.547 1.00 0.00 C ATOM 847 CG ARG A 57 -6.736 -6.136 7.784 1.00 0.00 C ATOM 848 CD ARG A 57 -5.970 -7.459 7.869 1.00 0.00 C ATOM 849 NE ARG A 57 -6.742 -8.440 8.663 1.00 0.00 N ATOM 850 CZ ARG A 57 -6.473 -9.752 8.704 1.00 0.00 C ATOM 851 NH1 ARG A 57 -5.449 -10.247 7.994 1.00 0.00 N ATOM 852 NH2 ARG A 57 -7.226 -10.568 9.452 1.00 0.00 N ATOM 0 H ARG A 57 -5.381 -3.707 5.366 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.615 -3.899 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.051 -5.235 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.227 -4.753 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.294 -5.975 8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.465 -6.185 6.975 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.791 -7.850 6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.994 -7.295 8.327 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.529 -8.096 9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.876 -9.625 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.243 -11.246 8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.005 -10.191 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.020 -11.567 9.482 1.00 0.00 H new ATOM 866 N TYR A 58 -4.849 -2.209 7.921 1.00 0.00 N ATOM 867 CA TYR A 58 -4.314 -1.108 8.704 1.00 0.00 C ATOM 868 C TYR A 58 -4.862 0.232 8.210 1.00 0.00 C ATOM 869 O TYR A 58 -4.928 1.197 8.969 1.00 0.00 O ATOM 870 CB TYR A 58 -2.800 -1.137 8.491 1.00 0.00 C ATOM 871 CG TYR A 58 -2.251 0.086 7.755 1.00 0.00 C ATOM 872 CD1 TYR A 58 -2.361 1.340 8.322 1.00 0.00 C ATOM 873 CD2 TYR A 58 -1.646 -0.062 6.524 1.00 0.00 C ATOM 874 CE1 TYR A 58 -1.846 2.492 7.630 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.130 1.089 5.831 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.255 2.310 6.418 1.00 0.00 C ATOM 877 OH TYR A 58 -0.768 3.397 5.764 1.00 0.00 O ATOM 0 H TYR A 58 -4.165 -2.689 7.337 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.590 -1.212 9.753 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.309 -1.215 9.461 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.540 -2.034 7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.834 1.457 9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.560 -1.043 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.927 3.478 8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.654 0.986 4.867 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.123 3.108 5.085 1.00 0.00 H new ATOM 887 N ILE A 59 -5.239 0.248 6.940 1.00 0.00 N ATOM 888 CA ILE A 59 -5.779 1.455 6.336 1.00 0.00 C ATOM 889 C ILE A 59 -7.295 1.488 6.538 1.00 0.00 C ATOM 890 O ILE A 59 -7.964 2.418 6.091 1.00 0.00 O ATOM 891 CB ILE A 59 -5.352 1.556 4.870 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.245 0.692 3.978 1.00 0.00 C ATOM 893 CG2 ILE A 59 -3.871 1.210 4.705 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.235 1.555 3.191 1.00 0.00 C ATOM 0 H ILE A 59 -5.181 -0.554 6.313 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.373 2.340 6.825 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.479 2.590 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.628 0.118 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.790 -0.026 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.594 1.290 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.268 1.902 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.695 0.191 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.857 0.916 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.867 2.109 3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.686 2.256 2.562 1.00 0.00 H new ATOM 906 N LEU A 60 -7.793 0.461 7.211 1.00 0.00 N ATOM 907 CA LEU A 60 -9.217 0.360 7.478 1.00 0.00 C ATOM 908 C LEU A 60 -9.628 1.466 8.453 1.00 0.00 C ATOM 909 O LEU A 60 -10.734 1.997 8.364 1.00 0.00 O ATOM 910 CB LEU A 60 -9.575 -1.047 7.960 1.00 0.00 C ATOM 911 CG LEU A 60 -11.068 -1.352 8.093 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.434 -2.638 7.350 1.00 0.00 C ATOM 913 CD2 LEU A 60 -11.488 -1.399 9.564 1.00 0.00 C ATOM 0 H LEU A 60 -7.235 -0.309 7.580 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.787 0.512 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.137 -1.768 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.104 -1.208 8.930 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.626 -0.541 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.501 -2.831 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.193 -2.528 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.869 -3.472 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.554 -1.617 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.925 -2.178 10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.285 -0.435 10.031 1.00 0.00 H new ATOM 925 N LYS A 61 -8.715 1.781 9.360 1.00 0.00 N ATOM 926 CA LYS A 61 -8.969 2.814 10.350 1.00 0.00 C ATOM 927 C LYS A 61 -7.749 2.947 11.265 1.00 0.00 C ATOM 928 O LYS A 61 -7.424 4.045 11.714 1.00 0.00 O ATOM 929 CB LYS A 61 -10.272 2.529 11.100 1.00 0.00 C ATOM 930 CG LYS A 61 -10.295 3.246 12.452 1.00 0.00 C ATOM 931 CD LYS A 61 -9.428 2.511 13.475 1.00 0.00 C ATOM 932 CE LYS A 61 -10.158 2.372 14.813 1.00 0.00 C ATOM 933 NZ LYS A 61 -9.799 1.096 15.470 1.00 0.00 N ATOM 0 H LYS A 61 -7.798 1.339 9.430 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.112 3.780 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.121 2.853 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.381 1.455 11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.935 4.268 12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.320 3.309 12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.168 1.523 13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.493 3.053 13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.900 3.208 15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.235 2.414 14.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.165 1.092 16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.216 0.304 14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.764 0.994 15.488 1.00 0.00 H new ATOM 947 N GLU A 62 -7.110 1.815 11.514 1.00 0.00 N ATOM 948 CA GLU A 62 -5.934 1.792 12.367 1.00 0.00 C ATOM 949 C GLU A 62 -4.842 2.695 11.791 1.00 0.00 C ATOM 950 O GLU A 62 -3.850 2.980 12.461 1.00 0.00 O ATOM 951 CB GLU A 62 -5.420 0.362 12.555 1.00 0.00 C ATOM 952 CG GLU A 62 -6.290 -0.406 13.552 1.00 0.00 C ATOM 953 CD GLU A 62 -5.765 -0.240 14.980 1.00 0.00 C ATOM 954 OE1 GLU A 62 -4.604 -0.640 15.208 1.00 0.00 O ATOM 955 OE2 GLU A 62 -6.539 0.285 15.810 1.00 0.00 O ATOM 0 H GLU A 62 -7.384 0.906 11.140 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.214 2.175 13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.416 -0.156 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.389 0.386 12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.318 -0.048 13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.306 -1.463 13.287 1.00 0.00 H new ATOM 962 N ILE A 63 -5.062 3.120 10.555 1.00 0.00 N ATOM 963 CA ILE A 63 -4.108 3.987 9.882 1.00 0.00 C ATOM 964 C ILE A 63 -3.445 4.904 10.910 1.00 0.00 C ATOM 965 O ILE A 63 -4.122 5.676 11.587 1.00 0.00 O ATOM 966 CB ILE A 63 -4.786 4.737 8.734 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.818 5.723 8.077 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.068 5.423 9.208 1.00 0.00 C ATOM 969 CD1 ILE A 63 -3.836 7.072 8.798 1.00 0.00 C ATOM 0 H ILE A 63 -5.885 2.881 10.003 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.314 3.398 9.423 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.072 4.011 7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.809 5.312 8.092 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.090 5.862 7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.530 5.949 8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.760 4.674 9.593 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.829 6.136 9.997 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.139 7.754 8.311 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.841 7.492 8.760 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.540 6.933 9.838 1.00 0.00 H new ATOM 981 N ASP A 64 -2.127 4.789 10.994 1.00 0.00 N ATOM 982 CA ASP A 64 -1.364 5.600 11.928 1.00 0.00 C ATOM 983 C ASP A 64 -0.088 4.853 12.319 1.00 0.00 C ATOM 984 O ASP A 64 1.013 5.386 12.186 1.00 0.00 O ATOM 985 CB ASP A 64 -2.164 5.870 13.205 1.00 0.00 C ATOM 986 CG ASP A 64 -1.320 6.167 14.446 1.00 0.00 C ATOM 987 OD1 ASP A 64 -0.968 5.189 15.140 1.00 0.00 O ATOM 988 OD2 ASP A 64 -1.046 7.366 14.672 1.00 0.00 O ATOM 0 H ASP A 64 -1.569 4.147 10.431 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.132 6.547 11.441 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.830 6.714 13.027 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.794 5.005 13.411 1.00 0.00 H new ATOM 993 N THR A 65 -0.277 3.631 12.795 1.00 0.00 N ATOM 994 CA THR A 65 0.846 2.805 13.207 1.00 0.00 C ATOM 995 C THR A 65 0.885 1.512 12.389 1.00 0.00 C ATOM 996 O THR A 65 1.959 0.977 12.120 1.00 0.00 O ATOM 997 CB THR A 65 0.731 2.568 14.713 1.00 0.00 C ATOM 998 OG1 THR A 65 1.810 1.685 15.009 1.00 0.00 O ATOM 999 CG2 THR A 65 -0.518 1.768 15.087 1.00 0.00 C ATOM 0 H THR A 65 -1.191 3.193 12.905 1.00 0.00 H new ATOM 0 HA THR A 65 1.796 3.304 13.014 1.00 0.00 H new ATOM 0 HB THR A 65 0.716 3.527 15.231 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.811 1.480 15.967 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.551 1.628 16.168 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.407 2.310 14.764 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.488 0.795 14.596 1.00 0.00 H new ATOM 1007 N LEU A 66 -0.299 1.049 12.017 1.00 0.00 N ATOM 1008 CA LEU A 66 -0.414 -0.170 11.236 1.00 0.00 C ATOM 1009 C LEU A 66 0.092 -1.352 12.066 1.00 0.00 C ATOM 1010 O LEU A 66 1.298 -1.562 12.186 1.00 0.00 O ATOM 1011 CB LEU A 66 0.299 -0.015 9.892 1.00 0.00 C ATOM 1012 CG LEU A 66 0.809 -1.306 9.249 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.540 -1.312 7.742 1.00 0.00 C ATOM 1014 CD2 LEU A 66 2.288 -1.532 9.568 1.00 0.00 C ATOM 0 H LEU A 66 -1.187 1.497 12.242 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.458 -0.371 10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.385 0.469 9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.145 0.658 10.028 1.00 0.00 H new ATOM 0 HG LEU A 66 0.256 -2.142 9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.912 -2.241 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.532 -1.233 7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.048 -0.467 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.624 -2.456 9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.874 -0.697 9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.420 -1.604 10.648 1.00 0.00 H new