USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=11 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 180:sc= 0 USER MOD Set 2.1: A 16 ASN : amide:sc= -4.37! C(o=-3.2!,f=-7!) USER MOD Set 2.2: A 18 THR OG1 : rot 104:sc= 1.17 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -4.04! USER MOD Single : A 10 ASN : amide:sc= -0.759 K(o=-0.76,f=-6.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : 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 60:sc= 0.122 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.4! K(o=-1.4!,f=0.083) USER MOD Single : A 38 ASN : amide:sc= -6.67! C(o=-6.7!,f=-2.5!) USER MOD Single : A 42 ASN : amide:sc= -3.57! C(o=-3.6!,f=-7.5!) USER MOD Single : A 48 ASN : amide:sc= 0.487 X(o=0.49,f=-0.002) USER MOD Single : A 49 SER OG : rot 73:sc= 0.0282 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 126:sc= -0.0207 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -49:sc= 0.0126 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 0.942 11.974 7.404 1.00 0.00 N ATOM 44 CA LYS A 4 0.740 10.708 8.087 1.00 0.00 C ATOM 45 C LYS A 4 0.274 9.657 7.076 1.00 0.00 C ATOM 46 O LYS A 4 -0.880 9.668 6.652 1.00 0.00 O ATOM 47 CB LYS A 4 -0.210 10.884 9.272 1.00 0.00 C ATOM 48 CG LYS A 4 0.420 10.356 10.563 1.00 0.00 C ATOM 49 CD LYS A 4 -0.630 9.688 11.453 1.00 0.00 C ATOM 50 CE LYS A 4 -0.791 10.444 12.773 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.222 10.558 13.133 1.00 0.00 N ATOM 0 HA LYS A 4 1.678 10.350 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.459 11.939 9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.143 10.356 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.206 9.640 10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.891 11.177 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.586 9.654 10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.339 8.657 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.251 9.925 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.351 11.438 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.314 11.074 14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.728 11.073 12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.631 9.607 13.236 1.00 0.00 H new ATOM 65 N LEU A 5 1.197 8.776 6.720 1.00 0.00 N ATOM 66 CA LEU A 5 0.896 7.721 5.767 1.00 0.00 C ATOM 67 C LEU A 5 2.058 6.726 5.729 1.00 0.00 C ATOM 68 O LEU A 5 3.198 7.087 6.016 1.00 0.00 O ATOM 69 CB LEU A 5 0.550 8.315 4.400 1.00 0.00 C ATOM 70 CG LEU A 5 1.680 9.060 3.688 1.00 0.00 C ATOM 71 CD1 LEU A 5 1.195 9.660 2.366 1.00 0.00 C ATOM 72 CD2 LEU A 5 2.302 10.118 4.602 1.00 0.00 C ATOM 0 H LEU A 5 2.154 8.771 7.074 1.00 0.00 H new ATOM 0 HA LEU A 5 0.011 7.167 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.208 7.508 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.288 9.000 4.525 1.00 0.00 H new ATOM 0 HG LEU A 5 2.463 8.341 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.018 10.184 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.838 8.863 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.383 10.361 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.103 10.633 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.539 10.839 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.708 9.637 5.492 1.00 0.00 H new ATOM 84 N TYR A 6 1.729 5.493 5.372 1.00 0.00 N ATOM 85 CA TYR A 6 2.731 4.445 5.292 1.00 0.00 C ATOM 86 C TYR A 6 2.357 3.407 4.232 1.00 0.00 C ATOM 87 O TYR A 6 1.506 2.551 4.470 1.00 0.00 O ATOM 88 CB TYR A 6 2.747 3.771 6.666 1.00 0.00 C ATOM 89 CG TYR A 6 3.625 2.520 6.735 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.091 1.285 6.425 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.949 2.626 7.107 1.00 0.00 C ATOM 92 CE1 TYR A 6 3.917 0.107 6.491 1.00 0.00 C ATOM 93 CE2 TYR A 6 5.775 1.448 7.173 1.00 0.00 C ATOM 94 CZ TYR A 6 5.218 0.247 6.861 1.00 0.00 C ATOM 95 OH TYR A 6 5.997 -0.866 6.924 1.00 0.00 O ATOM 0 H TYR A 6 0.782 5.197 5.135 1.00 0.00 H new ATOM 0 HA TYR A 6 3.701 4.862 5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.097 4.489 7.408 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.727 3.502 6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.054 1.202 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.366 3.592 7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.512 -0.865 6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.813 1.517 7.464 1.00 0.00 H new ATOM 0 HH TYR A 6 6.903 -0.616 7.201 1.00 0.00 H new ATOM 105 N GLY A 7 3.009 3.517 3.085 1.00 0.00 N ATOM 106 CA GLY A 7 2.754 2.600 1.988 1.00 0.00 C ATOM 107 C GLY A 7 1.747 3.191 0.999 1.00 0.00 C ATOM 108 O GLY A 7 0.748 2.554 0.670 1.00 0.00 O ATOM 0 H GLY A 7 3.714 4.228 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.688 2.377 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.373 1.657 2.379 1.00 0.00 H new ATOM 112 N ASP A 8 2.045 4.403 0.555 1.00 0.00 N ATOM 113 CA ASP A 8 1.178 5.087 -0.389 1.00 0.00 C ATOM 114 C ASP A 8 1.734 4.915 -1.803 1.00 0.00 C ATOM 115 O ASP A 8 2.944 4.789 -1.989 1.00 0.00 O ATOM 116 CB ASP A 8 1.110 6.586 -0.088 1.00 0.00 C ATOM 117 CG ASP A 8 -0.288 7.202 -0.180 1.00 0.00 C ATOM 118 OD1 ASP A 8 -1.071 6.707 -1.020 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.542 8.153 0.589 1.00 0.00 O ATOM 0 H ASP A 8 2.874 4.929 0.831 1.00 0.00 H new ATOM 0 HA ASP A 8 0.181 4.656 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.501 6.758 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.768 7.111 -0.781 1.00 0.00 H new ATOM 124 N VAL A 9 0.824 4.915 -2.767 1.00 0.00 N ATOM 125 CA VAL A 9 1.209 4.760 -4.159 1.00 0.00 C ATOM 126 C VAL A 9 1.227 6.132 -4.835 1.00 0.00 C ATOM 127 O VAL A 9 2.262 6.567 -5.338 1.00 0.00 O ATOM 128 CB VAL A 9 0.275 3.766 -4.853 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.655 3.591 -6.325 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.269 2.420 -4.124 1.00 0.00 C ATOM 0 H VAL A 9 -0.178 5.020 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 9 2.215 4.347 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.735 4.173 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.025 2.880 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.584 4.551 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.677 3.217 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.402 1.731 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.277 2.006 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.072 2.563 -3.099 1.00 0.00 H new ATOM 140 N ASN A 10 0.069 6.778 -4.825 1.00 0.00 N ATOM 141 CA ASN A 10 -0.060 8.092 -5.429 1.00 0.00 C ATOM 142 C ASN A 10 -0.101 9.155 -4.329 1.00 0.00 C ATOM 143 O ASN A 10 -0.598 10.259 -4.544 1.00 0.00 O ATOM 144 CB ASN A 10 -1.354 8.201 -6.240 1.00 0.00 C ATOM 145 CG ASN A 10 -2.496 7.451 -5.551 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.487 7.217 -4.353 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.477 7.089 -6.371 1.00 0.00 N ATOM 0 H ASN A 10 -0.788 6.415 -4.408 1.00 0.00 H new ATOM 0 HA ASN A 10 0.794 8.244 -6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.624 9.250 -6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.197 7.794 -7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.285 6.584 -6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.422 7.316 -7.364 1.00 0.00 H new ATOM 154 N ASP A 11 0.428 8.782 -3.172 1.00 0.00 N ATOM 155 CA ASP A 11 0.458 9.689 -2.037 1.00 0.00 C ATOM 156 C ASP A 11 -0.937 10.280 -1.824 1.00 0.00 C ATOM 157 O ASP A 11 -1.082 11.485 -1.629 1.00 0.00 O ATOM 158 CB ASP A 11 1.429 10.846 -2.282 1.00 0.00 C ATOM 159 CG ASP A 11 2.140 11.369 -1.032 1.00 0.00 C ATOM 160 OD1 ASP A 11 1.909 10.774 0.043 1.00 0.00 O ATOM 161 OD2 ASP A 11 2.899 12.351 -1.180 1.00 0.00 O ATOM 0 H ASP A 11 0.839 7.865 -2.997 1.00 0.00 H new ATOM 0 HA ASP A 11 0.783 9.124 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.182 10.523 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.882 11.669 -2.741 1.00 0.00 H new ATOM 166 N ASP A 12 -1.929 9.402 -1.869 1.00 0.00 N ATOM 167 CA ASP A 12 -3.308 9.821 -1.684 1.00 0.00 C ATOM 168 C ASP A 12 -3.760 9.459 -0.268 1.00 0.00 C ATOM 169 O ASP A 12 -4.376 10.274 0.418 1.00 0.00 O ATOM 170 CB ASP A 12 -4.236 9.114 -2.672 1.00 0.00 C ATOM 171 CG ASP A 12 -5.687 8.968 -2.206 1.00 0.00 C ATOM 172 OD1 ASP A 12 -6.470 9.900 -2.491 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.979 7.928 -1.577 1.00 0.00 O ATOM 0 H ASP A 12 -1.805 8.403 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.359 10.897 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.226 9.663 -3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.835 8.122 -2.878 1.00 0.00 H new ATOM 178 N GLY A 13 -3.437 8.237 0.128 1.00 0.00 N ATOM 179 CA GLY A 13 -3.803 7.758 1.450 1.00 0.00 C ATOM 180 C GLY A 13 -2.981 6.525 1.833 1.00 0.00 C ATOM 181 O GLY A 13 -2.360 6.493 2.894 1.00 0.00 O ATOM 0 H GLY A 13 -2.926 7.564 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.644 8.548 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.865 7.513 1.471 1.00 0.00 H new ATOM 185 N LYS A 14 -3.004 5.541 0.947 1.00 0.00 N ATOM 186 CA LYS A 14 -2.269 4.308 1.179 1.00 0.00 C ATOM 187 C LYS A 14 -2.353 3.428 -0.070 1.00 0.00 C ATOM 188 O LYS A 14 -3.113 3.721 -0.991 1.00 0.00 O ATOM 189 CB LYS A 14 -2.766 3.620 2.451 1.00 0.00 C ATOM 190 CG LYS A 14 -4.258 3.879 2.670 1.00 0.00 C ATOM 191 CD LYS A 14 -5.072 3.461 1.444 1.00 0.00 C ATOM 192 CE LYS A 14 -6.555 3.787 1.634 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.882 5.090 1.014 1.00 0.00 N ATOM 0 H LYS A 14 -3.519 5.571 0.067 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.213 4.519 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.586 2.547 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.201 3.983 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.602 3.327 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.421 4.937 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.694 3.974 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.950 2.392 1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.166 3.002 1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.795 3.813 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.892 5.296 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.312 5.838 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.672 5.053 -0.004 1.00 0.00 H new ATOM 207 N VAL A 15 -1.561 2.365 -0.060 1.00 0.00 N ATOM 208 CA VAL A 15 -1.535 1.440 -1.179 1.00 0.00 C ATOM 209 C VAL A 15 -2.554 0.324 -0.936 1.00 0.00 C ATOM 210 O VAL A 15 -2.369 -0.509 -0.050 1.00 0.00 O ATOM 211 CB VAL A 15 -0.114 0.915 -1.392 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.365 0.120 -0.175 1.00 0.00 C ATOM 213 CG2 VAL A 15 -0.026 0.071 -2.666 1.00 0.00 C ATOM 0 H VAL A 15 -0.932 2.124 0.706 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.821 1.948 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 15 0.546 1.774 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.378 -0.242 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.358 0.763 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.300 -0.728 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.995 -0.290 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.704 -0.779 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.306 0.680 -3.526 1.00 0.00 H new ATOM 223 N ASN A 16 -3.608 0.344 -1.740 1.00 0.00 N ATOM 224 CA ASN A 16 -4.656 -0.655 -1.623 1.00 0.00 C ATOM 225 C ASN A 16 -5.338 -0.833 -2.982 1.00 0.00 C ATOM 226 O ASN A 16 -4.886 -0.282 -3.984 1.00 0.00 O ATOM 227 CB ASN A 16 -5.720 -0.221 -0.614 1.00 0.00 C ATOM 228 CG ASN A 16 -6.352 1.113 -1.020 1.00 0.00 C ATOM 229 OD1 ASN A 16 -7.522 1.200 -1.353 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.512 2.144 -0.973 1.00 0.00 N ATOM 0 H ASN A 16 -3.758 1.036 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.199 -1.586 -1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.493 -0.987 -0.543 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.272 -0.129 0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.836 3.078 -1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.544 2.001 -0.685 1.00 0.00 H new ATOM 237 N SER A 17 -6.415 -1.604 -2.971 1.00 0.00 N ATOM 238 CA SER A 17 -7.164 -1.862 -4.189 1.00 0.00 C ATOM 239 C SER A 17 -7.376 -0.557 -4.959 1.00 0.00 C ATOM 240 O SER A 17 -7.545 -0.570 -6.176 1.00 0.00 O ATOM 241 CB SER A 17 -8.510 -2.520 -3.880 1.00 0.00 C ATOM 242 OG SER A 17 -9.405 -2.451 -4.986 1.00 0.00 O ATOM 0 H SER A 17 -6.787 -2.059 -2.137 1.00 0.00 H new ATOM 0 HA SER A 17 -6.587 -2.551 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.349 -3.563 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.962 -2.032 -3.017 1.00 0.00 H new ATOM 0 HG SER A 17 -10.252 -2.883 -4.749 1.00 0.00 H new ATOM 248 N THR A 18 -7.360 0.540 -4.216 1.00 0.00 N ATOM 249 CA THR A 18 -7.548 1.852 -4.813 1.00 0.00 C ATOM 250 C THR A 18 -6.343 2.223 -5.678 1.00 0.00 C ATOM 251 O THR A 18 -6.501 2.734 -6.784 1.00 0.00 O ATOM 252 CB THR A 18 -7.819 2.850 -3.685 1.00 0.00 C ATOM 253 OG1 THR A 18 -9.039 2.398 -3.105 1.00 0.00 O ATOM 254 CG2 THR A 18 -8.150 4.249 -4.210 1.00 0.00 C ATOM 0 H THR A 18 -7.220 0.547 -3.206 1.00 0.00 H new ATOM 0 HA THR A 18 -8.405 1.861 -5.487 1.00 0.00 H new ATOM 0 HB THR A 18 -6.949 2.904 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.849 1.939 -2.260 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.334 4.919 -3.370 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.312 4.625 -4.797 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.040 4.201 -4.837 1.00 0.00 H new ATOM 262 N ASP A 19 -5.163 1.950 -5.139 1.00 0.00 N ATOM 263 CA ASP A 19 -3.930 2.248 -5.847 1.00 0.00 C ATOM 264 C ASP A 19 -3.499 1.021 -6.652 1.00 0.00 C ATOM 265 O ASP A 19 -2.327 0.878 -6.995 1.00 0.00 O ATOM 266 CB ASP A 19 -2.803 2.592 -4.872 1.00 0.00 C ATOM 267 CG ASP A 19 -2.990 3.902 -4.103 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.924 4.646 -4.470 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.193 4.129 -3.167 1.00 0.00 O ATOM 0 H ASP A 19 -5.035 1.526 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.115 3.101 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.703 1.778 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.866 2.645 -5.427 1.00 0.00 H new ATOM 274 N ALA A 20 -4.472 0.165 -6.933 1.00 0.00 N ATOM 275 CA ALA A 20 -4.208 -1.046 -7.691 1.00 0.00 C ATOM 276 C ALA A 20 -3.751 -0.669 -9.102 1.00 0.00 C ATOM 277 O ALA A 20 -2.889 -1.331 -9.676 1.00 0.00 O ATOM 278 CB ALA A 20 -5.459 -1.926 -7.699 1.00 0.00 C ATOM 0 H ALA A 20 -5.444 0.287 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.407 -1.622 -7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.261 -2.835 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.725 -2.189 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.284 -1.382 -8.160 1.00 0.00 H new ATOM 284 N VAL A 21 -4.351 0.393 -9.620 1.00 0.00 N ATOM 285 CA VAL A 21 -4.016 0.866 -10.952 1.00 0.00 C ATOM 286 C VAL A 21 -2.495 0.921 -11.102 1.00 0.00 C ATOM 287 O VAL A 21 -1.927 0.253 -11.965 1.00 0.00 O ATOM 288 CB VAL A 21 -4.693 2.213 -11.215 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.189 2.835 -12.519 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.216 2.069 -11.230 1.00 0.00 C ATOM 0 H VAL A 21 -5.067 0.939 -9.141 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.392 0.176 -11.708 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.428 2.885 -10.398 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.686 3.791 -12.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.112 2.992 -12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.409 2.165 -13.350 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.672 3.041 -11.419 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.508 1.373 -12.016 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.555 1.691 -10.266 1.00 0.00 H new ATOM 300 N ALA A 22 -1.877 1.725 -10.248 1.00 0.00 N ATOM 301 CA ALA A 22 -0.432 1.877 -10.275 1.00 0.00 C ATOM 302 C ALA A 22 0.223 0.551 -9.882 1.00 0.00 C ATOM 303 O ALA A 22 1.030 0.007 -10.633 1.00 0.00 O ATOM 304 CB ALA A 22 -0.023 3.026 -9.352 1.00 0.00 C ATOM 0 H ALA A 22 -2.351 2.278 -9.533 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.090 2.128 -11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.061 3.140 -9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.492 3.950 -9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.346 2.808 -8.334 1.00 0.00 H new ATOM 310 N LEU A 23 -0.149 0.071 -8.705 1.00 0.00 N ATOM 311 CA LEU A 23 0.391 -1.181 -8.203 1.00 0.00 C ATOM 312 C LEU A 23 0.478 -2.191 -9.349 1.00 0.00 C ATOM 313 O LEU A 23 1.555 -2.702 -9.651 1.00 0.00 O ATOM 314 CB LEU A 23 -0.424 -1.676 -7.008 1.00 0.00 C ATOM 315 CG LEU A 23 -0.499 -3.195 -6.829 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.384 -3.654 -5.667 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.947 -3.658 -6.666 1.00 0.00 C ATOM 0 H LEU A 23 -0.818 0.526 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 23 1.404 -1.035 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.001 -1.244 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.439 -1.291 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.112 -3.665 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.313 -4.737 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.419 -3.376 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.050 -3.177 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.971 -4.741 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.385 -3.181 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.519 -3.383 -7.552 1.00 0.00 H new ATOM 329 N LYS A 24 -0.671 -2.447 -9.958 1.00 0.00 N ATOM 330 CA LYS A 24 -0.738 -3.387 -11.065 1.00 0.00 C ATOM 331 C LYS A 24 0.392 -3.087 -12.051 1.00 0.00 C ATOM 332 O LYS A 24 1.065 -4.001 -12.525 1.00 0.00 O ATOM 333 CB LYS A 24 -2.130 -3.367 -11.700 1.00 0.00 C ATOM 334 CG LYS A 24 -2.460 -4.718 -12.338 1.00 0.00 C ATOM 335 CD LYS A 24 -3.756 -5.294 -11.763 1.00 0.00 C ATOM 336 CE LYS A 24 -4.818 -5.449 -12.853 1.00 0.00 C ATOM 337 NZ LYS A 24 -6.168 -5.189 -12.304 1.00 0.00 N ATOM 0 H LYS A 24 -1.563 -2.020 -9.706 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.589 -4.407 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.876 -3.126 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.178 -2.582 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.557 -4.600 -13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.640 -5.415 -12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.556 -6.263 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.131 -4.640 -10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.612 -4.758 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.776 -6.456 -13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.876 -5.299 -13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.368 -5.865 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.209 -4.220 -11.928 1.00 0.00 H new ATOM 351 N ARG A 25 0.565 -1.804 -12.332 1.00 0.00 N ATOM 352 CA ARG A 25 1.603 -1.373 -13.254 1.00 0.00 C ATOM 353 C ARG A 25 2.986 -1.591 -12.636 1.00 0.00 C ATOM 354 O ARG A 25 3.965 -1.792 -13.353 1.00 0.00 O ATOM 355 CB ARG A 25 1.440 0.105 -13.615 1.00 0.00 C ATOM 356 CG ARG A 25 0.574 0.271 -14.865 1.00 0.00 C ATOM 357 CD ARG A 25 -0.441 1.402 -14.684 1.00 0.00 C ATOM 358 NE ARG A 25 -1.526 1.274 -15.680 1.00 0.00 N ATOM 359 CZ ARG A 25 -2.366 2.265 -16.010 1.00 0.00 C ATOM 360 NH1 ARG A 25 -2.247 3.465 -15.424 1.00 0.00 N ATOM 361 NH2 ARG A 25 -3.322 2.058 -16.924 1.00 0.00 N ATOM 0 H ARG A 25 0.004 -1.049 -11.938 1.00 0.00 H new ATOM 0 HA ARG A 25 1.509 -1.969 -14.162 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.986 0.639 -12.780 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.420 0.552 -13.785 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.209 0.482 -15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.051 -0.662 -15.075 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.856 1.371 -13.677 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.054 2.367 -14.796 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.643 0.374 -16.146 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.518 3.623 -14.728 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.885 4.220 -15.674 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.412 1.145 -17.370 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.961 2.813 -17.174 1.00 0.00 H new ATOM 375 N TYR A 26 3.022 -1.542 -11.312 1.00 0.00 N ATOM 376 CA TYR A 26 4.269 -1.731 -10.590 1.00 0.00 C ATOM 377 C TYR A 26 4.606 -3.217 -10.458 1.00 0.00 C ATOM 378 O TYR A 26 5.768 -3.605 -10.560 1.00 0.00 O ATOM 379 CB TYR A 26 4.040 -1.146 -9.195 1.00 0.00 C ATOM 380 CG TYR A 26 5.290 -1.134 -8.313 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.857 -2.323 -7.905 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.850 0.067 -7.926 1.00 0.00 C ATOM 383 CE1 TYR A 26 7.034 -2.312 -7.074 1.00 0.00 C ATOM 384 CE2 TYR A 26 7.027 0.079 -7.096 1.00 0.00 C ATOM 385 CZ TYR A 26 7.560 -1.112 -6.711 1.00 0.00 C ATOM 386 OH TYR A 26 8.672 -1.101 -5.927 1.00 0.00 O ATOM 0 H TYR A 26 2.208 -1.374 -10.721 1.00 0.00 H new ATOM 0 HA TYR A 26 5.094 -1.250 -11.115 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.669 -0.126 -9.296 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.260 -1.720 -8.695 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.419 -3.262 -8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.405 0.998 -8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.488 -3.236 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.476 1.011 -6.787 1.00 0.00 H new ATOM 0 HH TYR A 26 8.937 -0.175 -5.748 1.00 0.00 H new ATOM 396 N VAL A 27 3.568 -4.009 -10.233 1.00 0.00 N ATOM 397 CA VAL A 27 3.738 -5.444 -10.085 1.00 0.00 C ATOM 398 C VAL A 27 3.914 -6.077 -11.467 1.00 0.00 C ATOM 399 O VAL A 27 4.682 -7.024 -11.627 1.00 0.00 O ATOM 400 CB VAL A 27 2.564 -6.034 -9.301 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.478 -6.550 -10.249 1.00 0.00 C ATOM 402 CG2 VAL A 27 3.035 -7.139 -8.355 1.00 0.00 C ATOM 0 H VAL A 27 2.605 -3.683 -10.150 1.00 0.00 H new ATOM 0 HA VAL A 27 4.637 -5.664 -9.509 1.00 0.00 H new ATOM 0 HB VAL A 27 2.132 -5.238 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.654 -6.964 -9.668 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.111 -5.728 -10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.895 -7.325 -10.892 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.180 -7.541 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.505 -7.936 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.756 -6.729 -7.648 1.00 0.00 H new ATOM 412 N LEU A 28 3.189 -5.528 -12.430 1.00 0.00 N ATOM 413 CA LEU A 28 3.254 -6.027 -13.794 1.00 0.00 C ATOM 414 C LEU A 28 4.556 -5.552 -14.444 1.00 0.00 C ATOM 415 O LEU A 28 5.207 -6.309 -15.161 1.00 0.00 O ATOM 416 CB LEU A 28 1.997 -5.629 -14.570 1.00 0.00 C ATOM 417 CG LEU A 28 1.701 -6.447 -15.830 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.278 -6.191 -16.327 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.745 -6.179 -16.916 1.00 0.00 C ATOM 0 H LEU A 28 2.553 -4.742 -12.293 1.00 0.00 H new ATOM 0 HA LEU A 28 3.273 -7.117 -13.802 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.140 -5.707 -13.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.086 -4.580 -14.854 1.00 0.00 H new ATOM 0 HG LEU A 28 1.767 -7.505 -15.574 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.093 -6.784 -17.223 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.434 -6.473 -15.552 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.159 -5.133 -16.561 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.511 -6.772 -17.800 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.735 -5.121 -17.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.733 -6.453 -16.546 1.00 0.00 H new ATOM 431 N ARG A 29 4.895 -4.300 -14.169 1.00 0.00 N ATOM 432 CA ARG A 29 6.106 -3.716 -14.718 1.00 0.00 C ATOM 433 C ARG A 29 6.656 -2.647 -13.771 1.00 0.00 C ATOM 434 O ARG A 29 6.185 -2.511 -12.643 1.00 0.00 O ATOM 435 CB ARG A 29 5.842 -3.088 -16.088 1.00 0.00 C ATOM 436 CG ARG A 29 5.001 -1.817 -15.956 1.00 0.00 C ATOM 437 CD ARG A 29 3.510 -2.155 -15.868 1.00 0.00 C ATOM 438 NE ARG A 29 2.927 -2.229 -17.226 1.00 0.00 N ATOM 439 CZ ARG A 29 2.817 -1.181 -18.055 1.00 0.00 C ATOM 440 NH1 ARG A 29 3.250 0.027 -17.668 1.00 0.00 N ATOM 441 NH2 ARG A 29 2.275 -1.342 -19.269 1.00 0.00 N ATOM 0 H ARG A 29 4.352 -3.675 -13.573 1.00 0.00 H new ATOM 0 HA ARG A 29 6.838 -4.516 -14.833 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.790 -2.853 -16.573 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.326 -3.805 -16.727 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.306 -1.265 -15.067 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.181 -1.167 -16.812 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.374 -3.106 -15.353 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.991 -1.397 -15.281 1.00 0.00 H new ATOM 0 HE ARG A 29 2.588 -3.134 -17.552 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.663 0.149 -16.743 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.167 0.825 -18.298 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.946 -2.262 -19.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.191 -0.545 -19.900 1.00 0.00 H new ATOM 455 N SER A 30 7.644 -1.915 -14.266 1.00 0.00 N ATOM 456 CA SER A 30 8.262 -0.862 -13.479 1.00 0.00 C ATOM 457 C SER A 30 8.367 0.419 -14.309 1.00 0.00 C ATOM 458 O SER A 30 9.460 0.944 -14.512 1.00 0.00 O ATOM 459 CB SER A 30 9.645 -1.286 -12.982 1.00 0.00 C ATOM 460 OG SER A 30 10.498 -1.684 -14.051 1.00 0.00 O ATOM 0 H SER A 30 8.031 -2.031 -15.202 1.00 0.00 H new ATOM 0 HA SER A 30 7.634 -0.673 -12.608 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.105 -0.459 -12.440 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.540 -2.110 -12.276 1.00 0.00 H new ATOM 0 HG SER A 30 10.607 -0.938 -14.678 1.00 0.00 H new ATOM 466 N GLY A 31 7.214 0.886 -14.766 1.00 0.00 N ATOM 467 CA GLY A 31 7.162 2.095 -15.570 1.00 0.00 C ATOM 468 C GLY A 31 6.723 3.295 -14.727 1.00 0.00 C ATOM 469 O GLY A 31 7.428 4.299 -14.656 1.00 0.00 O ATOM 0 H GLY A 31 6.309 0.449 -14.595 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.143 2.290 -16.004 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.469 1.955 -16.399 1.00 0.00 H new ATOM 473 N ILE A 32 5.559 3.149 -14.110 1.00 0.00 N ATOM 474 CA ILE A 32 5.018 4.208 -13.274 1.00 0.00 C ATOM 475 C ILE A 32 5.997 4.506 -12.137 1.00 0.00 C ATOM 476 O ILE A 32 7.041 3.865 -12.029 1.00 0.00 O ATOM 477 CB ILE A 32 3.611 3.846 -12.795 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.618 2.523 -12.026 1.00 0.00 C ATOM 479 CG2 ILE A 32 2.622 3.824 -13.963 1.00 0.00 C ATOM 480 CD1 ILE A 32 3.684 2.766 -10.517 1.00 0.00 C ATOM 0 H ILE A 32 4.976 2.314 -14.172 1.00 0.00 H new ATOM 0 HA ILE A 32 4.908 5.128 -13.849 1.00 0.00 H new ATOM 0 HB ILE A 32 3.276 4.620 -12.104 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.721 1.953 -12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.471 1.921 -12.339 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.630 3.564 -13.595 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.589 4.808 -14.431 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.942 3.084 -14.697 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.688 1.810 -9.994 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.595 3.315 -10.276 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.817 3.347 -10.204 1.00 0.00 H new ATOM 492 N SER A 33 5.626 5.480 -11.319 1.00 0.00 N ATOM 493 CA SER A 33 6.458 5.871 -10.195 1.00 0.00 C ATOM 494 C SER A 33 5.592 6.087 -8.952 1.00 0.00 C ATOM 495 O SER A 33 4.686 6.920 -8.960 1.00 0.00 O ATOM 496 CB SER A 33 7.253 7.138 -10.513 1.00 0.00 C ATOM 497 OG SER A 33 8.520 6.841 -11.095 1.00 0.00 O ATOM 0 H SER A 33 4.760 6.010 -11.413 1.00 0.00 H new ATOM 0 HA SER A 33 7.168 5.067 -10.000 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.679 7.765 -11.195 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.400 7.713 -9.599 1.00 0.00 H new ATOM 0 HG SER A 33 8.996 7.676 -11.285 1.00 0.00 H new ATOM 503 N ILE A 34 5.899 5.322 -7.915 1.00 0.00 N ATOM 504 CA ILE A 34 5.160 5.420 -6.668 1.00 0.00 C ATOM 505 C ILE A 34 6.146 5.562 -5.506 1.00 0.00 C ATOM 506 O ILE A 34 7.349 5.381 -5.682 1.00 0.00 O ATOM 507 CB ILE A 34 4.203 4.235 -6.519 1.00 0.00 C ATOM 508 CG1 ILE A 34 4.951 2.975 -6.080 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.407 4.010 -7.807 1.00 0.00 C ATOM 510 CD1 ILE A 34 3.992 1.954 -5.467 1.00 0.00 C ATOM 0 H ILE A 34 6.650 4.631 -7.913 1.00 0.00 H new ATOM 0 HA ILE A 34 4.532 6.311 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 34 3.486 4.472 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.460 2.533 -6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.720 3.239 -5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.734 3.163 -7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.825 4.903 -8.036 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.094 3.804 -8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.549 1.068 -5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.503 2.391 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.239 1.674 -6.204 1.00 0.00 H new ATOM 522 N ASN A 35 5.598 5.888 -4.345 1.00 0.00 N ATOM 523 CA ASN A 35 6.413 6.057 -3.154 1.00 0.00 C ATOM 524 C ASN A 35 6.947 4.695 -2.707 1.00 0.00 C ATOM 525 O ASN A 35 6.642 4.235 -1.608 1.00 0.00 O ATOM 526 CB ASN A 35 5.592 6.644 -2.004 1.00 0.00 C ATOM 527 CG ASN A 35 4.639 7.729 -2.507 1.00 0.00 C ATOM 528 OD1 ASN A 35 4.946 8.910 -2.511 1.00 0.00 O ATOM 529 ND2 ASN A 35 3.467 7.265 -2.930 1.00 0.00 N ATOM 0 H ASN A 35 4.599 6.040 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 35 7.229 6.737 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.022 5.852 -1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.261 7.063 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.761 7.910 -3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.274 6.264 -2.900 1.00 0.00 H new ATOM 536 N THR A 36 7.734 4.088 -3.583 1.00 0.00 N ATOM 537 CA THR A 36 8.314 2.788 -3.294 1.00 0.00 C ATOM 538 C THR A 36 9.152 2.850 -2.016 1.00 0.00 C ATOM 539 O THR A 36 9.351 1.835 -1.349 1.00 0.00 O ATOM 540 CB THR A 36 9.108 2.340 -4.522 1.00 0.00 C ATOM 541 OG1 THR A 36 10.021 1.371 -4.010 1.00 0.00 O ATOM 542 CG2 THR A 36 10.009 3.447 -5.072 1.00 0.00 C ATOM 0 H THR A 36 7.984 4.473 -4.494 1.00 0.00 H new ATOM 0 HA THR A 36 7.541 2.044 -3.101 1.00 0.00 H new ATOM 0 HB THR A 36 8.419 2.013 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.576 1.026 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.550 3.077 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.399 4.303 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.721 3.751 -4.305 1.00 0.00 H new ATOM 550 N ASP A 37 9.624 4.051 -1.714 1.00 0.00 N ATOM 551 CA ASP A 37 10.437 4.260 -0.527 1.00 0.00 C ATOM 552 C ASP A 37 9.906 3.385 0.610 1.00 0.00 C ATOM 553 O ASP A 37 10.568 2.439 1.032 1.00 0.00 O ATOM 554 CB ASP A 37 10.379 5.718 -0.069 1.00 0.00 C ATOM 555 CG ASP A 37 11.602 6.561 -0.438 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.113 6.358 -1.560 1.00 0.00 O ATOM 557 OD2 ASP A 37 11.997 7.389 0.411 1.00 0.00 O ATOM 0 H ASP A 37 9.459 4.890 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 37 11.467 4.001 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.492 6.183 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.256 5.738 1.014 1.00 0.00 H new ATOM 562 N ASN A 38 8.714 3.733 1.074 1.00 0.00 N ATOM 563 CA ASN A 38 8.086 2.991 2.155 1.00 0.00 C ATOM 564 C ASN A 38 6.795 2.349 1.643 1.00 0.00 C ATOM 565 O ASN A 38 5.702 2.715 2.075 1.00 0.00 O ATOM 566 CB ASN A 38 7.725 3.915 3.319 1.00 0.00 C ATOM 567 CG ASN A 38 6.768 3.223 4.292 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.107 2.259 4.957 1.00 0.00 O ATOM 569 ND2 ASN A 38 5.555 3.768 4.336 1.00 0.00 N ATOM 0 H ASN A 38 8.167 4.518 0.721 1.00 0.00 H new ATOM 0 HA ASN A 38 8.791 2.235 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.631 4.214 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.264 4.825 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.843 3.378 4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.337 4.575 3.752 1.00 0.00 H new ATOM 576 N ALA A 39 6.964 1.402 0.732 1.00 0.00 N ATOM 577 CA ALA A 39 5.825 0.705 0.158 1.00 0.00 C ATOM 578 C ALA A 39 5.899 -0.777 0.531 1.00 0.00 C ATOM 579 O ALA A 39 5.069 -1.270 1.293 1.00 0.00 O ATOM 580 CB ALA A 39 5.802 0.925 -1.356 1.00 0.00 C ATOM 0 H ALA A 39 7.872 1.101 0.377 1.00 0.00 H new ATOM 0 HA ALA A 39 4.891 1.100 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.948 0.402 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.719 1.991 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.722 0.538 -1.794 1.00 0.00 H new ATOM 586 N ASP A 40 6.900 -1.445 -0.024 1.00 0.00 N ATOM 587 CA ASP A 40 7.093 -2.860 0.241 1.00 0.00 C ATOM 588 C ASP A 40 7.302 -3.070 1.742 1.00 0.00 C ATOM 589 O ASP A 40 7.825 -2.193 2.428 1.00 0.00 O ATOM 590 CB ASP A 40 8.327 -3.394 -0.488 1.00 0.00 C ATOM 591 CG ASP A 40 8.456 -4.919 -0.510 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.475 -5.578 -0.102 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.533 -5.390 -0.933 1.00 0.00 O ATOM 0 H ASP A 40 7.586 -1.032 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 40 6.209 -3.392 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.309 -3.031 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.217 -2.976 -0.018 1.00 0.00 H new ATOM 598 N LEU A 41 6.882 -4.237 2.209 1.00 0.00 N ATOM 599 CA LEU A 41 7.018 -4.573 3.615 1.00 0.00 C ATOM 600 C LEU A 41 7.221 -6.083 3.757 1.00 0.00 C ATOM 601 O LEU A 41 8.094 -6.527 4.502 1.00 0.00 O ATOM 602 CB LEU A 41 5.827 -4.036 4.411 1.00 0.00 C ATOM 603 CG LEU A 41 5.144 -2.791 3.840 1.00 0.00 C ATOM 604 CD1 LEU A 41 3.715 -2.657 4.368 1.00 0.00 C ATOM 605 CD2 LEU A 41 5.976 -1.536 4.113 1.00 0.00 C ATOM 0 H LEU A 41 6.447 -4.961 1.638 1.00 0.00 H new ATOM 0 HA LEU A 41 7.899 -4.091 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.083 -4.829 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.164 -3.809 5.423 1.00 0.00 H new ATOM 0 HG LEU A 41 5.077 -2.905 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.253 -1.764 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.137 -3.535 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.735 -2.576 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.469 -0.666 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.097 -1.406 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.956 -1.641 3.648 1.00 0.00 H new ATOM 617 N ASN A 42 6.401 -6.829 3.032 1.00 0.00 N ATOM 618 CA ASN A 42 6.481 -8.279 3.068 1.00 0.00 C ATOM 619 C ASN A 42 7.542 -8.753 2.072 1.00 0.00 C ATOM 620 O ASN A 42 7.726 -9.954 1.881 1.00 0.00 O ATOM 621 CB ASN A 42 5.146 -8.914 2.675 1.00 0.00 C ATOM 622 CG ASN A 42 3.978 -8.213 3.373 1.00 0.00 C ATOM 623 OD1 ASN A 42 3.693 -7.049 3.143 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.323 -8.983 4.237 1.00 0.00 N ATOM 0 H ASN A 42 5.678 -6.457 2.416 1.00 0.00 H new ATOM 0 HA ASN A 42 6.737 -8.577 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.016 -8.856 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.150 -9.971 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.529 -8.607 4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.615 -9.950 4.382 1.00 0.00 H new ATOM 631 N GLU A 43 8.209 -7.784 1.463 1.00 0.00 N ATOM 632 CA GLU A 43 9.245 -8.086 0.491 1.00 0.00 C ATOM 633 C GLU A 43 8.620 -8.545 -0.828 1.00 0.00 C ATOM 634 O GLU A 43 9.158 -9.420 -1.504 1.00 0.00 O ATOM 635 CB GLU A 43 10.215 -9.139 1.032 1.00 0.00 C ATOM 636 CG GLU A 43 11.623 -8.562 1.181 1.00 0.00 C ATOM 637 CD GLU A 43 12.600 -9.624 1.691 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.034 -10.445 0.855 1.00 0.00 O ATOM 639 OE2 GLU A 43 12.891 -9.589 2.907 1.00 0.00 O ATOM 0 H GLU A 43 8.052 -6.789 1.624 1.00 0.00 H new ATOM 0 HA GLU A 43 9.814 -7.176 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.863 -9.501 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.239 -9.996 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.966 -8.179 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.603 -7.719 1.872 1.00 0.00 H new ATOM 646 N ASP A 44 7.491 -7.933 -1.154 1.00 0.00 N ATOM 647 CA ASP A 44 6.785 -8.267 -2.380 1.00 0.00 C ATOM 648 C ASP A 44 6.781 -7.052 -3.309 1.00 0.00 C ATOM 649 O ASP A 44 6.835 -7.198 -4.529 1.00 0.00 O ATOM 650 CB ASP A 44 5.331 -8.646 -2.092 1.00 0.00 C ATOM 651 CG ASP A 44 4.466 -7.515 -1.532 1.00 0.00 C ATOM 652 OD1 ASP A 44 4.487 -7.344 -0.294 1.00 0.00 O ATOM 653 OD2 ASP A 44 3.804 -6.847 -2.355 1.00 0.00 O ATOM 0 H ASP A 44 7.047 -7.208 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 44 7.294 -9.113 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.876 -9.008 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.321 -9.475 -1.385 1.00 0.00 H new ATOM 658 N GLY A 45 6.719 -5.878 -2.696 1.00 0.00 N ATOM 659 CA GLY A 45 6.708 -4.638 -3.453 1.00 0.00 C ATOM 660 C GLY A 45 5.743 -3.625 -2.833 1.00 0.00 C ATOM 661 O GLY A 45 6.168 -2.587 -2.328 1.00 0.00 O ATOM 0 H GLY A 45 6.676 -5.760 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.713 -4.217 -3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.416 -4.840 -4.484 1.00 0.00 H new ATOM 665 N ARG A 46 4.464 -3.962 -2.890 1.00 0.00 N ATOM 666 CA ARG A 46 3.436 -3.095 -2.340 1.00 0.00 C ATOM 667 C ARG A 46 2.303 -3.930 -1.739 1.00 0.00 C ATOM 668 O ARG A 46 2.334 -4.262 -0.555 1.00 0.00 O ATOM 669 CB ARG A 46 2.861 -2.170 -3.415 1.00 0.00 C ATOM 670 CG ARG A 46 3.823 -1.019 -3.718 1.00 0.00 C ATOM 671 CD ARG A 46 4.384 -1.132 -5.138 1.00 0.00 C ATOM 672 NE ARG A 46 4.713 -2.543 -5.441 1.00 0.00 N ATOM 673 CZ ARG A 46 3.959 -3.341 -6.209 1.00 0.00 C ATOM 674 NH1 ARG A 46 2.830 -2.872 -6.757 1.00 0.00 N ATOM 675 NH2 ARG A 46 4.336 -4.609 -6.431 1.00 0.00 N ATOM 0 H ARG A 46 4.115 -4.824 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 46 3.898 -2.487 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.670 -2.739 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.903 -1.770 -3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.305 -0.067 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.642 -1.025 -2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.655 -0.757 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.276 -0.513 -5.236 1.00 0.00 H new ATOM 0 HE ARG A 46 5.567 -2.932 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.544 -1.907 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.256 -3.480 -7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.196 -4.965 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.762 -5.217 -7.016 1.00 0.00 H new ATOM 689 N VAL A 47 1.331 -4.245 -2.582 1.00 0.00 N ATOM 690 CA VAL A 47 0.191 -5.035 -2.147 1.00 0.00 C ATOM 691 C VAL A 47 -0.102 -6.116 -3.190 1.00 0.00 C ATOM 692 O VAL A 47 -1.086 -6.026 -3.922 1.00 0.00 O ATOM 693 CB VAL A 47 -1.007 -4.121 -1.880 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.854 -3.391 -0.544 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.207 -3.128 -3.028 1.00 0.00 C ATOM 0 H VAL A 47 1.309 -3.968 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 47 0.412 -5.541 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.898 -4.747 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.719 -2.748 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.785 -4.120 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.051 -2.784 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.065 -2.491 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.315 -2.511 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.384 -3.674 -3.955 1.00 0.00 H new ATOM 705 N ASN A 48 0.770 -7.112 -3.223 1.00 0.00 N ATOM 706 CA ASN A 48 0.617 -8.209 -4.163 1.00 0.00 C ATOM 707 C ASN A 48 -0.724 -8.903 -3.918 1.00 0.00 C ATOM 708 O ASN A 48 -1.419 -9.271 -4.863 1.00 0.00 O ATOM 709 CB ASN A 48 1.727 -9.247 -3.984 1.00 0.00 C ATOM 710 CG ASN A 48 2.836 -9.048 -5.018 1.00 0.00 C ATOM 711 OD1 ASN A 48 3.095 -9.894 -5.859 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.475 -7.888 -4.909 1.00 0.00 N ATOM 0 H ASN A 48 1.585 -7.183 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 48 0.667 -7.798 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.143 -9.170 -2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.311 -10.250 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.233 -7.661 -5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.207 -7.225 -4.182 1.00 0.00 H new ATOM 719 N SER A 49 -1.047 -9.060 -2.642 1.00 0.00 N ATOM 720 CA SER A 49 -2.293 -9.704 -2.260 1.00 0.00 C ATOM 721 C SER A 49 -2.263 -10.059 -0.773 1.00 0.00 C ATOM 722 O SER A 49 -3.301 -10.072 -0.112 1.00 0.00 O ATOM 723 CB SER A 49 -2.546 -10.956 -3.101 1.00 0.00 C ATOM 724 OG SER A 49 -3.708 -10.827 -3.915 1.00 0.00 O ATOM 0 H SER A 49 -0.468 -8.753 -1.860 1.00 0.00 H new ATOM 0 HA SER A 49 -3.110 -9.006 -2.443 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.680 -11.149 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.658 -11.818 -2.443 1.00 0.00 H new ATOM 0 HG SER A 49 -3.523 -10.209 -4.653 1.00 0.00 H new ATOM 730 N THR A 50 -1.062 -10.341 -0.288 1.00 0.00 N ATOM 731 CA THR A 50 -0.883 -10.696 1.109 1.00 0.00 C ATOM 732 C THR A 50 -0.801 -9.436 1.974 1.00 0.00 C ATOM 733 O THR A 50 -1.301 -9.415 3.097 1.00 0.00 O ATOM 734 CB THR A 50 0.354 -11.589 1.215 1.00 0.00 C ATOM 735 OG1 THR A 50 -0.049 -12.815 0.612 1.00 0.00 O ATOM 736 CG2 THR A 50 0.676 -11.975 2.661 1.00 0.00 C ATOM 0 H THR A 50 -0.203 -10.331 -0.839 1.00 0.00 H new ATOM 0 HA THR A 50 -1.738 -11.256 1.488 1.00 0.00 H new ATOM 0 HB THR A 50 1.210 -11.076 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.695 -13.452 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.563 -12.609 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.862 -11.074 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.167 -12.518 3.089 1.00 0.00 H new ATOM 744 N ASP A 51 -0.163 -8.417 1.417 1.00 0.00 N ATOM 745 CA ASP A 51 -0.007 -7.156 2.123 1.00 0.00 C ATOM 746 C ASP A 51 -1.342 -6.408 2.121 1.00 0.00 C ATOM 747 O ASP A 51 -1.739 -5.839 3.137 1.00 0.00 O ATOM 748 CB ASP A 51 1.033 -6.267 1.440 1.00 0.00 C ATOM 749 CG ASP A 51 2.071 -7.015 0.600 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.699 -7.937 1.163 1.00 0.00 O ATOM 751 OD2 ASP A 51 2.212 -6.647 -0.587 1.00 0.00 O ATOM 0 H ASP A 51 0.252 -8.439 0.485 1.00 0.00 H new ATOM 0 HA ASP A 51 0.319 -7.377 3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.515 -5.554 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.554 -5.690 2.204 1.00 0.00 H new ATOM 756 N LEU A 52 -1.997 -6.433 0.970 1.00 0.00 N ATOM 757 CA LEU A 52 -3.279 -5.764 0.823 1.00 0.00 C ATOM 758 C LEU A 52 -4.194 -6.166 1.982 1.00 0.00 C ATOM 759 O LEU A 52 -4.863 -5.319 2.572 1.00 0.00 O ATOM 760 CB LEU A 52 -3.875 -6.045 -0.557 1.00 0.00 C ATOM 761 CG LEU A 52 -4.982 -7.100 -0.608 1.00 0.00 C ATOM 762 CD1 LEU A 52 -6.237 -6.612 0.118 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.280 -7.513 -2.051 1.00 0.00 C ATOM 0 H LEU A 52 -1.664 -6.906 0.130 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.153 -4.683 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.272 -5.112 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.070 -6.359 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.631 -7.989 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.009 -7.380 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.997 -6.407 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.601 -5.701 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.070 -8.264 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.602 -6.641 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.380 -7.929 -2.504 1.00 0.00 H new ATOM 775 N GLY A 53 -4.194 -7.458 2.273 1.00 0.00 N ATOM 776 CA GLY A 53 -5.018 -7.983 3.350 1.00 0.00 C ATOM 777 C GLY A 53 -4.785 -7.203 4.645 1.00 0.00 C ATOM 778 O GLY A 53 -5.667 -7.140 5.502 1.00 0.00 O ATOM 0 H GLY A 53 -3.637 -8.157 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.070 -7.925 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.788 -9.037 3.509 1.00 0.00 H new ATOM 782 N ILE A 54 -3.596 -6.630 4.749 1.00 0.00 N ATOM 783 CA ILE A 54 -3.238 -5.857 5.926 1.00 0.00 C ATOM 784 C ILE A 54 -3.629 -4.394 5.709 1.00 0.00 C ATOM 785 O ILE A 54 -4.076 -3.723 6.639 1.00 0.00 O ATOM 786 CB ILE A 54 -1.759 -6.054 6.267 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.596 -6.843 7.567 1.00 0.00 C ATOM 788 CG2 ILE A 54 -1.024 -4.714 6.315 1.00 0.00 C ATOM 789 CD1 ILE A 54 -2.389 -6.195 8.705 1.00 0.00 C ATOM 0 H ILE A 54 -2.867 -6.685 4.037 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.792 -6.210 6.796 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.302 -6.644 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.936 -7.868 7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.541 -6.893 7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.025 -4.883 6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.096 -4.224 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.476 -4.078 7.076 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.256 -6.776 9.618 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.030 -5.179 8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.447 -6.169 8.443 1.00 0.00 H new ATOM 801 N LEU A 55 -3.448 -3.943 4.477 1.00 0.00 N ATOM 802 CA LEU A 55 -3.777 -2.572 4.126 1.00 0.00 C ATOM 803 C LEU A 55 -5.271 -2.337 4.350 1.00 0.00 C ATOM 804 O LEU A 55 -5.657 -1.493 5.158 1.00 0.00 O ATOM 805 CB LEU A 55 -3.312 -2.257 2.702 1.00 0.00 C ATOM 806 CG LEU A 55 -1.852 -1.821 2.555 1.00 0.00 C ATOM 807 CD1 LEU A 55 -1.690 -0.332 2.863 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.932 -2.689 3.416 1.00 0.00 C ATOM 0 H LEU A 55 -3.078 -4.503 3.709 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.244 -1.875 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.470 -3.142 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.948 -1.469 2.299 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.554 -1.968 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.643 -0.049 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.299 0.251 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.012 -0.135 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.099 -2.359 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.220 -2.597 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.019 -3.730 3.106 1.00 0.00 H new ATOM 820 N LYS A 56 -6.074 -3.097 3.620 1.00 0.00 N ATOM 821 CA LYS A 56 -7.518 -2.983 3.730 1.00 0.00 C ATOM 822 C LYS A 56 -7.945 -3.315 5.161 1.00 0.00 C ATOM 823 O LYS A 56 -9.115 -3.170 5.513 1.00 0.00 O ATOM 824 CB LYS A 56 -8.206 -3.843 2.668 1.00 0.00 C ATOM 825 CG LYS A 56 -8.109 -5.329 3.018 1.00 0.00 C ATOM 826 CD LYS A 56 -9.417 -5.834 3.631 1.00 0.00 C ATOM 827 CE LYS A 56 -10.271 -6.554 2.585 1.00 0.00 C ATOM 828 NZ LYS A 56 -11.197 -7.506 3.239 1.00 0.00 N ATOM 0 H LYS A 56 -5.751 -3.795 2.949 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.835 -1.959 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.253 -3.553 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.746 -3.664 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.878 -5.903 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.289 -5.489 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.198 -6.512 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.975 -4.995 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.838 -5.825 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.627 -7.086 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.769 -7.986 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.650 -8.212 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.823 -6.990 3.889 1.00 0.00 H new ATOM 842 N ARG A 57 -6.973 -3.754 5.948 1.00 0.00 N ATOM 843 CA ARG A 57 -7.234 -4.109 7.332 1.00 0.00 C ATOM 844 C ARG A 57 -7.056 -2.886 8.235 1.00 0.00 C ATOM 845 O ARG A 57 -7.924 -2.583 9.053 1.00 0.00 O ATOM 846 CB ARG A 57 -6.295 -5.222 7.802 1.00 0.00 C ATOM 847 CG ARG A 57 -7.087 -6.431 8.303 1.00 0.00 C ATOM 848 CD ARG A 57 -6.150 -7.579 8.686 1.00 0.00 C ATOM 849 NE ARG A 57 -6.919 -8.836 8.825 1.00 0.00 N ATOM 850 CZ ARG A 57 -6.393 -9.999 9.230 1.00 0.00 C ATOM 851 NH1 ARG A 57 -5.090 -10.072 9.538 1.00 0.00 N ATOM 852 NH2 ARG A 57 -7.167 -11.088 9.327 1.00 0.00 N ATOM 0 H ARG A 57 -6.004 -3.872 5.653 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.262 -4.466 7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.644 -5.524 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.652 -4.848 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.688 -6.144 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.778 -6.764 7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.378 -7.698 7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.643 -7.348 9.623 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.913 -8.815 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.501 -9.242 9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.688 -10.957 9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.158 -11.032 9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.765 -11.973 9.636 1.00 0.00 H new ATOM 866 N TYR A 58 -5.927 -2.217 8.056 1.00 0.00 N ATOM 867 CA TYR A 58 -5.625 -1.034 8.844 1.00 0.00 C ATOM 868 C TYR A 58 -6.120 0.232 8.144 1.00 0.00 C ATOM 869 O TYR A 58 -6.685 1.119 8.784 1.00 0.00 O ATOM 870 CB TYR A 58 -4.100 -0.978 8.954 1.00 0.00 C ATOM 871 CG TYR A 58 -3.433 -0.087 7.905 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.671 1.273 7.904 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.593 -0.641 6.960 1.00 0.00 C ATOM 874 CE1 TYR A 58 -3.042 2.113 6.917 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.966 0.199 5.974 1.00 0.00 C ATOM 876 CZ TYR A 58 -2.221 1.534 6.001 1.00 0.00 C ATOM 877 OH TYR A 58 -1.628 2.327 5.068 1.00 0.00 O ATOM 0 H TYR A 58 -5.210 -2.471 7.377 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.113 -1.087 9.817 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.831 -0.617 9.947 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.702 -1.989 8.863 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.328 1.707 8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.406 -1.705 6.961 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.219 3.178 6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.307 -0.222 5.229 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.658 2.187 5.089 1.00 0.00 H new ATOM 887 N ILE A 59 -5.891 0.278 6.840 1.00 0.00 N ATOM 888 CA ILE A 59 -6.308 1.422 6.046 1.00 0.00 C ATOM 889 C ILE A 59 -7.777 1.731 6.338 1.00 0.00 C ATOM 890 O ILE A 59 -8.234 2.853 6.119 1.00 0.00 O ATOM 891 CB ILE A 59 -6.012 1.181 4.564 1.00 0.00 C ATOM 892 CG1 ILE A 59 -7.040 0.230 3.947 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.579 0.684 4.364 1.00 0.00 C ATOM 894 CD1 ILE A 59 -8.134 1.006 3.213 1.00 0.00 C ATOM 0 H ILE A 59 -5.422 -0.459 6.313 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.735 2.307 6.322 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.098 2.133 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.543 -0.448 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.487 -0.384 4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.395 0.521 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.879 1.429 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.440 -0.252 4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.851 0.306 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.645 1.665 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.686 1.601 2.417 1.00 0.00 H new ATOM 906 N LEU A 60 -8.477 0.718 6.826 1.00 0.00 N ATOM 907 CA LEU A 60 -9.885 0.869 7.150 1.00 0.00 C ATOM 908 C LEU A 60 -10.089 2.171 7.926 1.00 0.00 C ATOM 909 O LEU A 60 -10.821 3.055 7.482 1.00 0.00 O ATOM 910 CB LEU A 60 -10.402 -0.371 7.883 1.00 0.00 C ATOM 911 CG LEU A 60 -11.757 -0.909 7.418 1.00 0.00 C ATOM 912 CD1 LEU A 60 -12.838 0.170 7.516 1.00 0.00 C ATOM 913 CD2 LEU A 60 -11.661 -1.495 6.008 1.00 0.00 C ATOM 0 H LEU A 60 -8.095 -0.211 7.005 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.479 0.944 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.663 -1.165 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.471 -0.138 8.946 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.048 -1.720 8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.791 -0.238 7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.930 0.500 8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.564 1.017 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.638 -1.870 5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.336 -0.720 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.940 -2.313 6.002 1.00 0.00 H new ATOM 925 N LYS A 61 -9.429 2.249 9.073 1.00 0.00 N ATOM 926 CA LYS A 61 -9.529 3.429 9.915 1.00 0.00 C ATOM 927 C LYS A 61 -8.653 3.241 11.155 1.00 0.00 C ATOM 928 O LYS A 61 -9.032 3.642 12.254 1.00 0.00 O ATOM 929 CB LYS A 61 -10.994 3.735 10.238 1.00 0.00 C ATOM 930 CG LYS A 61 -11.237 5.244 10.304 1.00 0.00 C ATOM 931 CD LYS A 61 -10.820 5.925 8.999 1.00 0.00 C ATOM 932 CE LYS A 61 -11.713 7.129 8.699 1.00 0.00 C ATOM 933 NZ LYS A 61 -10.932 8.203 8.044 1.00 0.00 N ATOM 0 H LYS A 61 -8.823 1.514 9.438 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.153 4.306 9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.638 3.292 9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.263 3.278 11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.292 5.438 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.676 5.670 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.781 6.247 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.878 5.211 8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.538 6.826 8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.152 7.503 9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.553 9.013 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.160 8.503 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.533 7.848 7.152 1.00 0.00 H new ATOM 947 N GLU A 62 -7.497 2.631 10.936 1.00 0.00 N ATOM 948 CA GLU A 62 -6.563 2.386 12.022 1.00 0.00 C ATOM 949 C GLU A 62 -5.155 2.828 11.620 1.00 0.00 C ATOM 950 O GLU A 62 -4.198 2.608 12.361 1.00 0.00 O ATOM 951 CB GLU A 62 -6.579 0.913 12.435 1.00 0.00 C ATOM 952 CG GLU A 62 -7.231 0.735 13.808 1.00 0.00 C ATOM 953 CD GLU A 62 -6.434 1.463 14.892 1.00 0.00 C ATOM 954 OE1 GLU A 62 -5.339 0.960 15.226 1.00 0.00 O ATOM 955 OE2 GLU A 62 -6.936 2.505 15.363 1.00 0.00 O ATOM 0 H GLU A 62 -7.186 2.299 10.023 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.875 2.975 12.885 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.123 0.329 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.560 0.528 12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.251 1.118 13.783 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.295 -0.326 14.049 1.00 0.00 H new ATOM 962 N ILE A 63 -5.072 3.444 10.450 1.00 0.00 N ATOM 963 CA ILE A 63 -3.797 3.918 9.942 1.00 0.00 C ATOM 964 C ILE A 63 -2.996 4.539 11.088 1.00 0.00 C ATOM 965 O ILE A 63 -3.569 4.977 12.085 1.00 0.00 O ATOM 966 CB ILE A 63 -4.010 4.864 8.759 1.00 0.00 C ATOM 967 CG1 ILE A 63 -4.122 6.315 9.230 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.221 4.436 7.927 1.00 0.00 C ATOM 969 CD1 ILE A 63 -5.407 6.536 10.030 1.00 0.00 C ATOM 0 H ILE A 63 -5.868 3.626 9.839 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.209 3.086 9.554 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.136 4.803 8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.259 6.569 9.845 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.107 6.983 8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.351 5.125 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.062 3.428 7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.115 4.450 8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.461 7.576 10.352 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.269 6.305 9.405 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.408 5.885 10.904 1.00 0.00 H new ATOM 981 N ASP A 64 -1.683 4.557 10.909 1.00 0.00 N ATOM 982 CA ASP A 64 -0.797 5.117 11.915 1.00 0.00 C ATOM 983 C ASP A 64 0.563 4.419 11.836 1.00 0.00 C ATOM 984 O ASP A 64 1.572 5.053 11.530 1.00 0.00 O ATOM 985 CB ASP A 64 -1.358 4.901 13.322 1.00 0.00 C ATOM 986 CG ASP A 64 -0.312 4.889 14.440 1.00 0.00 C ATOM 987 OD1 ASP A 64 0.647 5.682 14.328 1.00 0.00 O ATOM 988 OD2 ASP A 64 -0.496 4.085 15.380 1.00 0.00 O ATOM 0 H ASP A 64 -1.211 4.192 10.081 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.701 6.186 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.084 5.687 13.532 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.898 3.955 13.340 1.00 0.00 H new ATOM 993 N THR A 65 0.546 3.124 12.118 1.00 0.00 N ATOM 994 CA THR A 65 1.764 2.334 12.082 1.00 0.00 C ATOM 995 C THR A 65 1.522 1.013 11.353 1.00 0.00 C ATOM 996 O THR A 65 2.403 0.154 11.306 1.00 0.00 O ATOM 997 CB THR A 65 2.253 2.154 13.520 1.00 0.00 C ATOM 998 OG1 THR A 65 3.664 2.005 13.392 1.00 0.00 O ATOM 999 CG2 THR A 65 1.793 0.830 14.133 1.00 0.00 C ATOM 0 H THR A 65 -0.293 2.603 12.372 1.00 0.00 H new ATOM 0 HA THR A 65 2.547 2.841 11.518 1.00 0.00 H new ATOM 0 HB THR A 65 1.894 2.982 14.131 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.861 1.335 12.705 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.167 0.752 15.154 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.704 0.792 14.142 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.180 0.001 13.541 1.00 0.00 H new ATOM 1007 N LEU A 66 0.324 0.888 10.800 1.00 0.00 N ATOM 1008 CA LEU A 66 -0.046 -0.314 10.074 1.00 0.00 C ATOM 1009 C LEU A 66 0.395 -1.543 10.874 1.00 0.00 C ATOM 1010 O LEU A 66 1.556 -1.943 10.815 1.00 0.00 O ATOM 1011 CB LEU A 66 0.514 -0.275 8.651 1.00 0.00 C ATOM 1012 CG LEU A 66 0.777 -1.633 7.995 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.514 -1.575 6.490 1.00 0.00 C ATOM 1014 CD2 LEU A 66 2.189 -2.130 8.312 1.00 0.00 C ATOM 0 H LEU A 66 -0.404 1.601 10.841 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.129 -0.374 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.182 0.281 8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.448 0.286 8.665 1.00 0.00 H new ATOM 0 HG LEU A 66 0.079 -2.357 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.708 -2.553 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.525 -1.297 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.171 -0.834 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.350 -3.096 7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.920 -1.413 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.304 -2.235 9.391 1.00 0.00 H new