USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 ASN : amide:sc= -5.25 K(o=-5.7,f=-14!) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -0.404 F(o=-8.2,f=-5.7) USER MOD Set 1.3: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 26 TYR OH : rot 150:sc= 0.412 USER MOD Set 2.2: A 30 SER OG : rot 79:sc= 0.259 USER MOD Set 2.3: A 36 THR OG1 : rot 149:sc= 0.45 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 130:sc= -2.57! USER MOD Single : A 10 ASN : amide:sc= -3.6! C(o=-3.6!,f=-11!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -8.06! C(o=-8.1!,f=-16!) 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 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -18.8! C(o=-19!,f=-26!) USER MOD Single : A 38 ASN : amide:sc= -6.5! C(o=-6.5!,f=-8!) USER MOD Single : A 49 SER OG : rot 71:sc= 1.11 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 143:sc= 0.28 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 0.112 11.595 8.196 1.00 0.00 N ATOM 44 CA LYS A 4 -0.231 10.202 8.423 1.00 0.00 C ATOM 45 C LYS A 4 -0.423 9.502 7.076 1.00 0.00 C ATOM 46 O LYS A 4 -1.428 9.714 6.400 1.00 0.00 O ATOM 47 CB LYS A 4 -1.441 10.093 9.351 1.00 0.00 C ATOM 48 CG LYS A 4 -2.543 11.070 8.933 1.00 0.00 C ATOM 49 CD LYS A 4 -2.973 11.949 10.109 1.00 0.00 C ATOM 50 CE LYS A 4 -4.477 12.223 10.068 1.00 0.00 C ATOM 51 NZ LYS A 4 -4.740 13.679 10.076 1.00 0.00 N ATOM 0 HA LYS A 4 0.582 9.688 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.827 9.074 9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.137 10.300 10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.186 11.698 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.402 10.515 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.715 11.459 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.427 12.892 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.910 11.774 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.961 11.756 10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.766 13.847 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.344 14.098 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.295 14.117 9.244 1.00 0.00 H new ATOM 65 N LEU A 5 0.557 8.682 6.726 1.00 0.00 N ATOM 66 CA LEU A 5 0.509 7.950 5.472 1.00 0.00 C ATOM 67 C LEU A 5 1.692 6.984 5.405 1.00 0.00 C ATOM 68 O LEU A 5 2.834 7.376 5.646 1.00 0.00 O ATOM 69 CB LEU A 5 0.436 8.917 4.289 1.00 0.00 C ATOM 70 CG LEU A 5 1.770 9.499 3.816 1.00 0.00 C ATOM 71 CD1 LEU A 5 1.571 10.408 2.601 1.00 0.00 C ATOM 72 CD2 LEU A 5 2.489 10.220 4.958 1.00 0.00 C ATOM 0 H LEU A 5 1.389 8.508 7.289 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.398 7.348 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.030 8.400 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.222 9.742 4.560 1.00 0.00 H new ATOM 0 HG LEU A 5 2.410 8.675 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.534 10.809 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.131 9.834 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.906 11.230 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.434 10.624 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.864 11.034 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.682 9.517 5.768 1.00 0.00 H new ATOM 84 N TYR A 6 1.382 5.738 5.075 1.00 0.00 N ATOM 85 CA TYR A 6 2.406 4.713 4.973 1.00 0.00 C ATOM 86 C TYR A 6 2.154 3.805 3.768 1.00 0.00 C ATOM 87 O TYR A 6 1.200 3.028 3.760 1.00 0.00 O ATOM 88 CB TYR A 6 2.300 3.883 6.253 1.00 0.00 C ATOM 89 CG TYR A 6 3.494 2.956 6.494 1.00 0.00 C ATOM 90 CD1 TYR A 6 4.755 3.487 6.671 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.309 1.589 6.535 1.00 0.00 C ATOM 92 CE1 TYR A 6 5.878 2.615 6.897 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.432 0.716 6.761 1.00 0.00 C ATOM 94 CZ TYR A 6 5.662 1.272 6.931 1.00 0.00 C ATOM 95 OH TYR A 6 6.722 0.449 7.145 1.00 0.00 O ATOM 0 H TYR A 6 0.435 5.416 4.875 1.00 0.00 H new ATOM 0 HA TYR A 6 3.390 5.164 4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.199 4.557 7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.390 3.284 6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.900 4.557 6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.322 1.174 6.398 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.870 3.018 7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.301 -0.355 6.795 1.00 0.00 H new ATOM 0 HH TYR A 6 6.505 -0.184 7.861 1.00 0.00 H new ATOM 105 N GLY A 7 3.026 3.932 2.779 1.00 0.00 N ATOM 106 CA GLY A 7 2.910 3.133 1.571 1.00 0.00 C ATOM 107 C GLY A 7 1.928 3.768 0.585 1.00 0.00 C ATOM 108 O GLY A 7 1.049 3.091 0.055 1.00 0.00 O ATOM 0 H GLY A 7 3.816 4.577 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.889 3.033 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.575 2.128 1.827 1.00 0.00 H new ATOM 112 N ASP A 8 2.110 5.062 0.368 1.00 0.00 N ATOM 113 CA ASP A 8 1.252 5.796 -0.545 1.00 0.00 C ATOM 114 C ASP A 8 1.798 5.667 -1.968 1.00 0.00 C ATOM 115 O ASP A 8 2.937 6.048 -2.236 1.00 0.00 O ATOM 116 CB ASP A 8 1.212 7.284 -0.187 1.00 0.00 C ATOM 117 CG ASP A 8 -0.175 7.927 -0.251 1.00 0.00 C ATOM 118 OD1 ASP A 8 -1.049 7.328 -0.914 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.330 9.004 0.365 1.00 0.00 O ATOM 0 H ASP A 8 2.840 5.621 0.809 1.00 0.00 H new ATOM 0 HA ASP A 8 0.247 5.380 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.609 7.411 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.877 7.823 -0.862 1.00 0.00 H new ATOM 124 N VAL A 9 0.962 5.128 -2.842 1.00 0.00 N ATOM 125 CA VAL A 9 1.348 4.944 -4.231 1.00 0.00 C ATOM 126 C VAL A 9 1.358 6.301 -4.938 1.00 0.00 C ATOM 127 O VAL A 9 2.396 6.741 -5.427 1.00 0.00 O ATOM 128 CB VAL A 9 0.420 3.927 -4.901 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.426 4.098 -6.421 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.798 2.498 -4.508 1.00 0.00 C ATOM 0 H VAL A 9 0.019 4.813 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 9 2.357 4.537 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.594 4.114 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.241 3.364 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.086 5.102 -6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.437 3.951 -6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.123 1.796 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.823 2.294 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.718 2.385 -3.427 1.00 0.00 H new ATOM 140 N ASN A 10 0.189 6.924 -4.968 1.00 0.00 N ATOM 141 CA ASN A 10 0.050 8.222 -5.607 1.00 0.00 C ATOM 142 C ASN A 10 -0.022 9.309 -4.533 1.00 0.00 C ATOM 143 O ASN A 10 -0.664 10.340 -4.729 1.00 0.00 O ATOM 144 CB ASN A 10 -1.233 8.293 -6.438 1.00 0.00 C ATOM 145 CG ASN A 10 -2.403 7.643 -5.697 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.387 7.470 -4.490 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.414 7.292 -6.487 1.00 0.00 N ATOM 0 H ASN A 10 -0.670 6.555 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 10 0.911 8.370 -6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.471 9.334 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.080 7.792 -7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.242 6.848 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.361 7.466 -7.491 1.00 0.00 H new ATOM 154 N ASP A 11 0.645 9.042 -3.419 1.00 0.00 N ATOM 155 CA ASP A 11 0.664 9.985 -2.314 1.00 0.00 C ATOM 156 C ASP A 11 -0.763 10.459 -2.029 1.00 0.00 C ATOM 157 O ASP A 11 -1.003 11.655 -1.869 1.00 0.00 O ATOM 158 CB ASP A 11 1.512 11.213 -2.652 1.00 0.00 C ATOM 159 CG ASP A 11 3.020 11.022 -2.486 1.00 0.00 C ATOM 160 OD1 ASP A 11 3.487 9.900 -2.778 1.00 0.00 O ATOM 161 OD2 ASP A 11 3.674 12.004 -2.069 1.00 0.00 O ATOM 0 H ASP A 11 1.176 8.186 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 11 1.090 9.480 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.309 11.504 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.194 12.041 -2.019 1.00 0.00 H new ATOM 166 N ASP A 12 -1.672 9.496 -1.973 1.00 0.00 N ATOM 167 CA ASP A 12 -3.068 9.800 -1.710 1.00 0.00 C ATOM 168 C ASP A 12 -3.386 9.489 -0.245 1.00 0.00 C ATOM 169 O ASP A 12 -3.874 10.351 0.484 1.00 0.00 O ATOM 170 CB ASP A 12 -3.991 8.950 -2.585 1.00 0.00 C ATOM 171 CG ASP A 12 -5.426 8.817 -2.071 1.00 0.00 C ATOM 172 OD1 ASP A 12 -5.635 7.958 -1.187 1.00 0.00 O ATOM 173 OD2 ASP A 12 -6.282 9.576 -2.574 1.00 0.00 O ATOM 0 H ASP A 12 -1.469 8.505 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.231 10.855 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.018 9.382 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.561 7.953 -2.680 1.00 0.00 H new ATOM 178 N GLY A 13 -3.096 8.255 0.141 1.00 0.00 N ATOM 179 CA GLY A 13 -3.345 7.821 1.505 1.00 0.00 C ATOM 180 C GLY A 13 -2.523 6.575 1.841 1.00 0.00 C ATOM 181 O GLY A 13 -1.886 6.513 2.892 1.00 0.00 O ATOM 0 H GLY A 13 -2.691 7.543 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.094 8.624 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.406 7.607 1.635 1.00 0.00 H new ATOM 185 N LYS A 14 -2.562 5.615 0.929 1.00 0.00 N ATOM 186 CA LYS A 14 -1.828 4.374 1.117 1.00 0.00 C ATOM 187 C LYS A 14 -1.905 3.543 -0.165 1.00 0.00 C ATOM 188 O LYS A 14 -2.473 3.985 -1.164 1.00 0.00 O ATOM 189 CB LYS A 14 -2.330 3.638 2.359 1.00 0.00 C ATOM 190 CG LYS A 14 -3.854 3.718 2.466 1.00 0.00 C ATOM 191 CD LYS A 14 -4.277 4.424 3.756 1.00 0.00 C ATOM 192 CE LYS A 14 -5.726 4.906 3.668 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.072 5.728 4.849 1.00 0.00 N ATOM 0 H LYS A 14 -3.090 5.671 0.058 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.773 4.578 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.019 2.594 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.876 4.071 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.255 4.254 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.277 2.714 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.167 3.743 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.619 5.272 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.867 5.489 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.397 4.049 3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.059 6.047 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.957 5.160 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.443 6.555 4.892 1.00 0.00 H new ATOM 207 N VAL A 15 -1.326 2.353 -0.097 1.00 0.00 N ATOM 208 CA VAL A 15 -1.321 1.456 -1.240 1.00 0.00 C ATOM 209 C VAL A 15 -2.339 0.337 -1.008 1.00 0.00 C ATOM 210 O VAL A 15 -2.080 -0.596 -0.250 1.00 0.00 O ATOM 211 CB VAL A 15 0.095 0.933 -1.489 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.642 0.219 -0.251 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.132 0.017 -2.714 1.00 0.00 C ATOM 0 H VAL A 15 -0.857 1.989 0.732 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.620 1.987 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 15 0.739 1.789 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.650 -0.143 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.669 0.915 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.003 -0.624 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.150 -0.342 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.532 -0.833 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.196 0.572 -3.593 1.00 0.00 H new ATOM 223 N ASN A 16 -3.477 0.469 -1.675 1.00 0.00 N ATOM 224 CA ASN A 16 -4.535 -0.519 -1.552 1.00 0.00 C ATOM 225 C ASN A 16 -5.277 -0.634 -2.884 1.00 0.00 C ATOM 226 O ASN A 16 -4.775 -0.199 -3.919 1.00 0.00 O ATOM 227 CB ASN A 16 -5.548 -0.111 -0.479 1.00 0.00 C ATOM 228 CG ASN A 16 -5.028 1.069 0.344 1.00 0.00 C ATOM 229 OD1 ASN A 16 -4.118 0.946 1.148 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.655 2.217 0.101 1.00 0.00 N ATOM 0 H ASN A 16 -3.689 1.245 -2.302 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.079 -1.469 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.494 0.158 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.748 -0.957 0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.382 3.063 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.409 2.251 -0.585 1.00 0.00 H new ATOM 237 N SER A 17 -6.463 -1.223 -2.815 1.00 0.00 N ATOM 238 CA SER A 17 -7.280 -1.401 -4.004 1.00 0.00 C ATOM 239 C SER A 17 -7.562 -0.044 -4.653 1.00 0.00 C ATOM 240 O SER A 17 -7.954 0.022 -5.816 1.00 0.00 O ATOM 241 CB SER A 17 -8.592 -2.112 -3.669 1.00 0.00 C ATOM 242 OG SER A 17 -9.559 -1.965 -4.705 1.00 0.00 O ATOM 0 H SER A 17 -6.877 -1.583 -1.955 1.00 0.00 H new ATOM 0 HA SER A 17 -6.729 -2.026 -4.707 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.398 -3.172 -3.502 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.994 -1.711 -2.738 1.00 0.00 H new ATOM 0 HG SER A 17 -10.382 -2.434 -4.454 1.00 0.00 H new ATOM 248 N THR A 18 -7.352 1.005 -3.871 1.00 0.00 N ATOM 249 CA THR A 18 -7.579 2.356 -4.354 1.00 0.00 C ATOM 250 C THR A 18 -6.491 2.755 -5.352 1.00 0.00 C ATOM 251 O THR A 18 -6.790 3.259 -6.435 1.00 0.00 O ATOM 252 CB THR A 18 -7.662 3.285 -3.141 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.884 2.919 -2.507 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.870 4.748 -3.537 1.00 0.00 C ATOM 0 H THR A 18 -7.027 0.946 -2.906 1.00 0.00 H new ATOM 0 HA THR A 18 -8.519 2.428 -4.900 1.00 0.00 H new ATOM 0 HB THR A 18 -6.749 3.195 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.017 3.472 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.922 5.364 -2.639 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.037 5.079 -4.157 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.800 4.845 -4.098 1.00 0.00 H new ATOM 262 N ASP A 19 -5.251 2.516 -4.953 1.00 0.00 N ATOM 263 CA ASP A 19 -4.116 2.845 -5.799 1.00 0.00 C ATOM 264 C ASP A 19 -3.727 1.616 -6.624 1.00 0.00 C ATOM 265 O ASP A 19 -2.588 1.501 -7.074 1.00 0.00 O ATOM 266 CB ASP A 19 -2.904 3.254 -4.961 1.00 0.00 C ATOM 267 CG ASP A 19 -2.989 4.650 -4.340 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.806 5.448 -4.848 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.236 4.887 -3.370 1.00 0.00 O ATOM 0 H ASP A 19 -5.007 2.098 -4.055 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.406 3.675 -6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.771 2.525 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.014 3.205 -5.589 1.00 0.00 H new ATOM 274 N ALA A 20 -4.696 0.727 -6.795 1.00 0.00 N ATOM 275 CA ALA A 20 -4.468 -0.489 -7.557 1.00 0.00 C ATOM 276 C ALA A 20 -4.049 -0.122 -8.982 1.00 0.00 C ATOM 277 O ALA A 20 -3.211 -0.796 -9.579 1.00 0.00 O ATOM 278 CB ALA A 20 -5.729 -1.354 -7.525 1.00 0.00 C ATOM 0 H ALA A 20 -5.639 0.825 -6.419 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.660 -1.073 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.559 -2.266 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.968 -1.611 -6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.560 -0.802 -7.963 1.00 0.00 H new ATOM 284 N VAL A 21 -4.651 0.946 -9.486 1.00 0.00 N ATOM 285 CA VAL A 21 -4.350 1.410 -10.829 1.00 0.00 C ATOM 286 C VAL A 21 -2.835 1.420 -11.033 1.00 0.00 C ATOM 287 O VAL A 21 -2.322 0.758 -11.935 1.00 0.00 O ATOM 288 CB VAL A 21 -4.995 2.777 -11.067 1.00 0.00 C ATOM 289 CG1 VAL A 21 -6.514 2.651 -11.200 1.00 0.00 C ATOM 290 CG2 VAL A 21 -4.621 3.761 -9.955 1.00 0.00 C ATOM 0 H VAL A 21 -5.346 1.503 -8.988 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.773 0.733 -11.571 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.608 3.171 -12.007 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.947 3.637 -11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.753 2.001 -12.042 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.925 2.225 -10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.092 4.725 -10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.966 3.374 -8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.538 3.885 -9.928 1.00 0.00 H new ATOM 300 N ALA A 22 -2.160 2.178 -10.182 1.00 0.00 N ATOM 301 CA ALA A 22 -0.712 2.283 -10.258 1.00 0.00 C ATOM 302 C ALA A 22 -0.086 0.953 -9.835 1.00 0.00 C ATOM 303 O ALA A 22 1.053 0.658 -10.193 1.00 0.00 O ATOM 304 CB ALA A 22 -0.239 3.453 -9.392 1.00 0.00 C ATOM 0 H ALA A 22 -2.589 2.726 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.394 2.486 -11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.847 3.532 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.689 4.378 -9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.537 3.284 -8.357 1.00 0.00 H new ATOM 310 N LEU A 23 -0.857 0.187 -9.078 1.00 0.00 N ATOM 311 CA LEU A 23 -0.392 -1.106 -8.602 1.00 0.00 C ATOM 312 C LEU A 23 -0.228 -2.053 -9.792 1.00 0.00 C ATOM 313 O LEU A 23 0.867 -2.556 -10.043 1.00 0.00 O ATOM 314 CB LEU A 23 -1.323 -1.641 -7.513 1.00 0.00 C ATOM 315 CG LEU A 23 -0.728 -2.702 -6.584 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.213 -2.070 -5.289 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.734 -3.822 -6.315 1.00 0.00 C ATOM 0 H LEU A 23 -1.801 0.436 -8.782 1.00 0.00 H new ATOM 0 HA LEU A 23 0.587 -1.011 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.659 -0.801 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.207 -2.061 -7.993 1.00 0.00 H new ATOM 0 HG LEU A 23 0.129 -3.153 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.205 -2.845 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.560 -1.338 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.036 -1.576 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.286 -4.562 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.625 -3.406 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.010 -4.297 -7.256 1.00 0.00 H new ATOM 329 N LYS A 24 -1.331 -2.268 -10.494 1.00 0.00 N ATOM 330 CA LYS A 24 -1.323 -3.146 -11.651 1.00 0.00 C ATOM 331 C LYS A 24 -0.116 -2.813 -12.530 1.00 0.00 C ATOM 332 O LYS A 24 0.569 -3.711 -13.018 1.00 0.00 O ATOM 333 CB LYS A 24 -2.661 -3.073 -12.389 1.00 0.00 C ATOM 334 CG LYS A 24 -2.912 -4.347 -13.198 1.00 0.00 C ATOM 335 CD LYS A 24 -3.067 -4.030 -14.687 1.00 0.00 C ATOM 336 CE LYS A 24 -3.681 -5.212 -15.438 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.149 -5.054 -15.541 1.00 0.00 N ATOM 0 H LYS A 24 -2.237 -1.849 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.214 -4.185 -11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.469 -2.929 -11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.667 -2.209 -13.054 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.084 -5.042 -13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.811 -4.843 -12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.697 -3.149 -14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.094 -3.789 -15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.246 -5.283 -16.435 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.445 -6.142 -14.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.550 -5.865 -16.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.561 -5.009 -14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.369 -4.177 -16.055 1.00 0.00 H new ATOM 351 N ARG A 25 0.108 -1.519 -12.707 1.00 0.00 N ATOM 352 CA ARG A 25 1.221 -1.056 -13.519 1.00 0.00 C ATOM 353 C ARG A 25 2.547 -1.527 -12.919 1.00 0.00 C ATOM 354 O ARG A 25 3.504 -1.787 -13.648 1.00 0.00 O ATOM 355 CB ARG A 25 1.229 0.470 -13.622 1.00 0.00 C ATOM 356 CG ARG A 25 0.511 0.938 -14.890 1.00 0.00 C ATOM 357 CD ARG A 25 -0.701 1.806 -14.545 1.00 0.00 C ATOM 358 NE ARG A 25 -1.919 1.247 -15.173 1.00 0.00 N ATOM 359 CZ ARG A 25 -3.056 1.934 -15.349 1.00 0.00 C ATOM 360 NH1 ARG A 25 -3.138 3.209 -14.944 1.00 0.00 N ATOM 361 NH2 ARG A 25 -4.111 1.346 -15.928 1.00 0.00 N ATOM 0 H ARG A 25 -0.462 -0.777 -12.302 1.00 0.00 H new ATOM 0 HA ARG A 25 1.101 -1.476 -14.518 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.744 0.900 -12.746 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.257 0.832 -13.627 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.202 1.504 -15.516 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.190 0.073 -15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.829 1.854 -13.464 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.539 2.826 -14.892 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.891 0.278 -15.492 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.335 3.656 -14.502 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.003 3.732 -15.078 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.049 0.375 -16.235 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.976 1.869 -16.062 1.00 0.00 H new ATOM 375 N TYR A 26 2.563 -1.622 -11.597 1.00 0.00 N ATOM 376 CA TYR A 26 3.756 -2.057 -10.893 1.00 0.00 C ATOM 377 C TYR A 26 3.817 -3.583 -10.806 1.00 0.00 C ATOM 378 O TYR A 26 4.899 -4.168 -10.842 1.00 0.00 O ATOM 379 CB TYR A 26 3.643 -1.482 -9.479 1.00 0.00 C ATOM 380 CG TYR A 26 4.939 -1.566 -8.668 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.472 -2.797 -8.345 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.573 -0.411 -8.260 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.691 -2.876 -7.582 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.792 -0.489 -7.497 1.00 0.00 C ATOM 385 CZ TYR A 26 7.290 -1.718 -7.196 1.00 0.00 C ATOM 386 OH TYR A 26 8.442 -1.792 -6.475 1.00 0.00 O ATOM 0 H TYR A 26 1.768 -1.405 -10.996 1.00 0.00 H new ATOM 0 HA TYR A 26 4.653 -1.719 -11.413 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.335 -0.439 -9.546 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.856 -2.013 -8.943 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.975 -3.701 -8.664 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.155 0.552 -8.513 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.119 -3.833 -7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.299 0.408 -7.172 1.00 0.00 H new ATOM 0 HH TYR A 26 8.998 -1.008 -6.665 1.00 0.00 H new ATOM 396 N VAL A 27 2.641 -4.185 -10.696 1.00 0.00 N ATOM 397 CA VAL A 27 2.548 -5.632 -10.605 1.00 0.00 C ATOM 398 C VAL A 27 3.158 -6.258 -11.860 1.00 0.00 C ATOM 399 O VAL A 27 3.936 -7.207 -11.769 1.00 0.00 O ATOM 400 CB VAL A 27 1.094 -6.048 -10.376 1.00 0.00 C ATOM 401 CG1 VAL A 27 0.935 -7.566 -10.478 1.00 0.00 C ATOM 402 CG2 VAL A 27 0.581 -5.532 -9.029 1.00 0.00 C ATOM 0 H VAL A 27 1.746 -3.697 -10.668 1.00 0.00 H new ATOM 0 HA VAL A 27 3.116 -5.999 -9.750 1.00 0.00 H new ATOM 0 HB VAL A 27 0.489 -5.594 -11.161 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.108 -7.835 -10.311 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.241 -7.898 -11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.559 -8.049 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.455 -5.842 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.192 -5.943 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.640 -4.444 -9.010 1.00 0.00 H new ATOM 412 N LEU A 28 2.782 -5.703 -13.003 1.00 0.00 N ATOM 413 CA LEU A 28 3.283 -6.195 -14.275 1.00 0.00 C ATOM 414 C LEU A 28 4.792 -5.958 -14.350 1.00 0.00 C ATOM 415 O LEU A 28 5.555 -6.877 -14.641 1.00 0.00 O ATOM 416 CB LEU A 28 2.504 -5.572 -15.435 1.00 0.00 C ATOM 417 CG LEU A 28 1.642 -6.533 -16.258 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.570 -5.774 -17.040 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.510 -7.403 -17.169 1.00 0.00 C ATOM 0 H LEU A 28 2.136 -4.917 -13.075 1.00 0.00 H new ATOM 0 HA LEU A 28 3.125 -7.270 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.859 -4.789 -15.035 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.214 -5.088 -16.105 1.00 0.00 H new ATOM 0 HG LEU A 28 1.124 -7.203 -15.571 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.028 -6.480 -17.616 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.074 -5.235 -16.345 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.047 -5.065 -17.717 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.874 -8.077 -17.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.073 -6.766 -17.852 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.203 -7.987 -16.563 1.00 0.00 H new ATOM 431 N ARG A 29 5.178 -4.719 -14.082 1.00 0.00 N ATOM 432 CA ARG A 29 6.583 -4.349 -14.116 1.00 0.00 C ATOM 433 C ARG A 29 6.833 -3.130 -13.226 1.00 0.00 C ATOM 434 O ARG A 29 5.960 -2.277 -13.078 1.00 0.00 O ATOM 435 CB ARG A 29 7.035 -4.032 -15.543 1.00 0.00 C ATOM 436 CG ARG A 29 6.516 -2.664 -15.990 1.00 0.00 C ATOM 437 CD ARG A 29 5.030 -2.732 -16.349 1.00 0.00 C ATOM 438 NE ARG A 29 4.854 -2.574 -17.811 1.00 0.00 N ATOM 439 CZ ARG A 29 5.156 -1.457 -18.486 1.00 0.00 C ATOM 440 NH1 ARG A 29 5.650 -0.394 -17.837 1.00 0.00 N ATOM 441 NH2 ARG A 29 4.964 -1.403 -19.811 1.00 0.00 N ATOM 0 H ARG A 29 4.542 -3.959 -13.840 1.00 0.00 H new ATOM 0 HA ARG A 29 7.158 -5.197 -13.745 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.124 -4.047 -15.596 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.672 -4.803 -16.223 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.668 -1.935 -15.194 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.087 -2.318 -16.852 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.613 -3.685 -16.025 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.484 -1.949 -15.822 1.00 0.00 H new ATOM 0 HE ARG A 29 4.480 -3.364 -18.336 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.796 -0.435 -16.828 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.880 0.456 -18.352 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.588 -2.212 -20.305 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.194 -0.553 -20.325 1.00 0.00 H new ATOM 455 N SER A 30 8.029 -3.087 -12.657 1.00 0.00 N ATOM 456 CA SER A 30 8.404 -1.986 -11.785 1.00 0.00 C ATOM 457 C SER A 30 8.865 -0.791 -12.621 1.00 0.00 C ATOM 458 O SER A 30 10.050 -0.463 -12.641 1.00 0.00 O ATOM 459 CB SER A 30 9.504 -2.408 -10.809 1.00 0.00 C ATOM 460 OG SER A 30 9.626 -1.499 -9.718 1.00 0.00 O ATOM 0 H SER A 30 8.751 -3.797 -12.783 1.00 0.00 H new ATOM 0 HA SER A 30 7.530 -1.697 -11.202 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.287 -3.406 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.455 -2.469 -11.338 1.00 0.00 H new ATOM 0 HG SER A 30 8.915 -1.673 -9.066 1.00 0.00 H new ATOM 466 N GLY A 31 7.904 -0.173 -13.292 1.00 0.00 N ATOM 467 CA GLY A 31 8.197 0.980 -14.128 1.00 0.00 C ATOM 468 C GLY A 31 7.502 2.234 -13.596 1.00 0.00 C ATOM 469 O GLY A 31 8.064 3.327 -13.645 1.00 0.00 O ATOM 0 H GLY A 31 6.922 -0.448 -13.274 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.274 1.144 -14.163 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.871 0.785 -15.150 1.00 0.00 H new ATOM 473 N ILE A 32 6.291 2.034 -13.099 1.00 0.00 N ATOM 474 CA ILE A 32 5.513 3.136 -12.557 1.00 0.00 C ATOM 475 C ILE A 32 6.279 3.773 -11.397 1.00 0.00 C ATOM 476 O ILE A 32 7.211 3.175 -10.860 1.00 0.00 O ATOM 477 CB ILE A 32 4.107 2.665 -12.181 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.158 3.854 -12.012 1.00 0.00 C ATOM 479 CG2 ILE A 32 4.141 1.777 -10.935 1.00 0.00 C ATOM 480 CD1 ILE A 32 1.715 3.381 -11.820 1.00 0.00 C ATOM 0 H ILE A 32 5.829 1.126 -13.060 1.00 0.00 H new ATOM 0 HA ILE A 32 5.373 3.911 -13.311 1.00 0.00 H new ATOM 0 HB ILE A 32 3.720 2.057 -12.999 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.466 4.451 -11.153 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.219 4.500 -12.888 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.129 1.456 -10.689 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.762 0.902 -11.128 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.556 2.339 -10.099 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.061 4.245 -11.702 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.402 2.805 -12.691 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.653 2.755 -10.930 1.00 0.00 H new ATOM 492 N SER A 33 5.858 4.979 -11.044 1.00 0.00 N ATOM 493 CA SER A 33 6.494 5.704 -9.956 1.00 0.00 C ATOM 494 C SER A 33 5.576 5.719 -8.731 1.00 0.00 C ATOM 495 O SER A 33 4.464 6.240 -8.791 1.00 0.00 O ATOM 496 CB SER A 33 6.841 7.134 -10.376 1.00 0.00 C ATOM 497 OG SER A 33 8.249 7.358 -10.393 1.00 0.00 O ATOM 0 H SER A 33 5.085 5.472 -11.491 1.00 0.00 H new ATOM 0 HA SER A 33 7.423 5.193 -9.701 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.430 7.331 -11.366 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.370 7.838 -9.690 1.00 0.00 H new ATOM 0 HG SER A 33 8.430 8.281 -10.668 1.00 0.00 H new ATOM 503 N ILE A 34 6.079 5.142 -7.649 1.00 0.00 N ATOM 504 CA ILE A 34 5.318 5.083 -6.412 1.00 0.00 C ATOM 505 C ILE A 34 6.284 5.064 -5.226 1.00 0.00 C ATOM 506 O ILE A 34 7.494 4.940 -5.407 1.00 0.00 O ATOM 507 CB ILE A 34 4.350 3.898 -6.435 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.108 2.570 -6.399 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.404 3.987 -7.634 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.330 1.516 -5.609 1.00 0.00 C ATOM 0 H ILE A 34 7.003 4.712 -7.603 1.00 0.00 H new ATOM 0 HA ILE A 34 4.696 5.971 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 34 3.735 3.941 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.277 2.216 -7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.088 2.719 -5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.726 3.133 -7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.826 4.909 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.984 3.982 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.891 0.581 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.184 1.863 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.360 1.352 -6.079 1.00 0.00 H new ATOM 522 N ASN A 35 5.713 5.191 -4.037 1.00 0.00 N ATOM 523 CA ASN A 35 6.508 5.192 -2.821 1.00 0.00 C ATOM 524 C ASN A 35 6.779 3.747 -2.394 1.00 0.00 C ATOM 525 O ASN A 35 6.713 3.424 -1.209 1.00 0.00 O ATOM 526 CB ASN A 35 5.768 5.890 -1.679 1.00 0.00 C ATOM 527 CG ASN A 35 4.819 4.924 -0.967 1.00 0.00 C ATOM 528 OD1 ASN A 35 4.593 5.004 0.229 1.00 0.00 O ATOM 529 ND2 ASN A 35 4.279 4.010 -1.767 1.00 0.00 N ATOM 0 H ASN A 35 4.709 5.294 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 35 7.437 5.723 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.488 6.290 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.204 6.737 -2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.632 3.319 -1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.512 4.000 -2.760 1.00 0.00 H new ATOM 536 N THR A 36 7.079 2.919 -3.383 1.00 0.00 N ATOM 537 CA THR A 36 7.360 1.517 -3.125 1.00 0.00 C ATOM 538 C THR A 36 8.159 1.362 -1.828 1.00 0.00 C ATOM 539 O THR A 36 8.050 0.346 -1.145 1.00 0.00 O ATOM 540 CB THR A 36 8.076 0.944 -4.350 1.00 0.00 C ATOM 541 OG1 THR A 36 8.599 -0.301 -3.896 1.00 0.00 O ATOM 542 CG2 THR A 36 9.316 1.753 -4.735 1.00 0.00 C ATOM 0 H THR A 36 7.134 3.192 -4.364 1.00 0.00 H new ATOM 0 HA THR A 36 6.440 0.952 -2.974 1.00 0.00 H new ATOM 0 HB THR A 36 7.386 0.915 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.620 -0.938 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.786 1.304 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.025 2.778 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.022 1.755 -3.904 1.00 0.00 H new ATOM 550 N ASP A 37 8.943 2.388 -1.529 1.00 0.00 N ATOM 551 CA ASP A 37 9.759 2.380 -0.328 1.00 0.00 C ATOM 552 C ASP A 37 8.861 2.170 0.893 1.00 0.00 C ATOM 553 O ASP A 37 8.929 1.130 1.547 1.00 0.00 O ATOM 554 CB ASP A 37 10.493 3.710 -0.151 1.00 0.00 C ATOM 555 CG ASP A 37 11.900 3.757 -0.750 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.698 2.861 -0.397 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.146 4.688 -1.548 1.00 0.00 O ATOM 0 H ASP A 37 9.030 3.230 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 37 10.488 1.575 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.895 4.501 -0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.560 3.932 0.914 1.00 0.00 H new ATOM 562 N ASN A 38 8.039 3.174 1.163 1.00 0.00 N ATOM 563 CA ASN A 38 7.127 3.112 2.293 1.00 0.00 C ATOM 564 C ASN A 38 5.962 2.182 1.952 1.00 0.00 C ATOM 565 O ASN A 38 5.100 1.927 2.792 1.00 0.00 O ATOM 566 CB ASN A 38 6.552 4.493 2.612 1.00 0.00 C ATOM 567 CG ASN A 38 6.372 4.677 4.121 1.00 0.00 C ATOM 568 OD1 ASN A 38 6.849 3.896 4.928 1.00 0.00 O ATOM 569 ND2 ASN A 38 5.659 5.748 4.453 1.00 0.00 N ATOM 0 H ASN A 38 7.986 4.035 0.619 1.00 0.00 H new ATOM 0 HA ASN A 38 7.683 2.745 3.156 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.216 5.266 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.592 4.616 2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.482 5.958 5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.289 6.360 3.726 1.00 0.00 H new ATOM 576 N ALA A 39 5.972 1.699 0.718 1.00 0.00 N ATOM 577 CA ALA A 39 4.927 0.802 0.256 1.00 0.00 C ATOM 578 C ALA A 39 5.282 -0.633 0.649 1.00 0.00 C ATOM 579 O ALA A 39 4.601 -1.241 1.475 1.00 0.00 O ATOM 580 CB ALA A 39 4.744 0.965 -1.254 1.00 0.00 C ATOM 0 H ALA A 39 6.688 1.912 0.024 1.00 0.00 H new ATOM 0 HA ALA A 39 3.975 1.047 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.960 0.292 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.463 1.994 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.678 0.725 -1.762 1.00 0.00 H new ATOM 586 N ASP A 40 6.346 -1.134 0.040 1.00 0.00 N ATOM 587 CA ASP A 40 6.800 -2.487 0.316 1.00 0.00 C ATOM 588 C ASP A 40 7.139 -2.613 1.802 1.00 0.00 C ATOM 589 O ASP A 40 7.604 -1.657 2.420 1.00 0.00 O ATOM 590 CB ASP A 40 8.059 -2.819 -0.487 1.00 0.00 C ATOM 591 CG ASP A 40 8.549 -4.263 -0.351 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.721 -5.109 0.050 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.742 -4.487 -0.650 1.00 0.00 O ATOM 0 H ASP A 40 6.908 -0.627 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 40 6.002 -3.175 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.865 -2.614 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.859 -2.148 -0.174 1.00 0.00 H new ATOM 598 N LEU A 41 6.893 -3.802 2.333 1.00 0.00 N ATOM 599 CA LEU A 41 7.166 -4.066 3.736 1.00 0.00 C ATOM 600 C LEU A 41 7.597 -5.525 3.901 1.00 0.00 C ATOM 601 O LEU A 41 8.613 -5.807 4.533 1.00 0.00 O ATOM 602 CB LEU A 41 5.964 -3.679 4.598 1.00 0.00 C ATOM 603 CG LEU A 41 5.419 -2.263 4.394 1.00 0.00 C ATOM 604 CD1 LEU A 41 3.950 -2.175 4.810 1.00 0.00 C ATOM 605 CD2 LEU A 41 6.284 -1.233 5.123 1.00 0.00 C ATOM 0 H LEU A 41 6.508 -4.593 1.817 1.00 0.00 H new ATOM 0 HA LEU A 41 7.992 -3.447 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.159 -4.388 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.242 -3.792 5.646 1.00 0.00 H new ATOM 0 HG LEU A 41 5.466 -2.029 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.588 -1.159 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.360 -2.866 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.854 -2.437 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.875 -0.235 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.291 -1.454 6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.302 -1.274 4.737 1.00 0.00 H new ATOM 617 N ASN A 42 6.803 -6.412 3.321 1.00 0.00 N ATOM 618 CA ASN A 42 7.090 -7.835 3.396 1.00 0.00 C ATOM 619 C ASN A 42 8.163 -8.190 2.366 1.00 0.00 C ATOM 620 O ASN A 42 8.559 -9.348 2.249 1.00 0.00 O ATOM 621 CB ASN A 42 5.843 -8.665 3.085 1.00 0.00 C ATOM 622 CG ASN A 42 5.361 -8.415 1.654 1.00 0.00 C ATOM 623 OD1 ASN A 42 5.681 -7.418 1.030 1.00 0.00 O ATOM 624 ND2 ASN A 42 4.574 -9.374 1.174 1.00 0.00 N ATOM 0 H ASN A 42 5.961 -6.174 2.797 1.00 0.00 H new ATOM 0 HA ASN A 42 7.429 -8.058 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.064 -9.724 3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.050 -8.414 3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.199 -9.300 0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.346 -10.183 1.752 1.00 0.00 H new ATOM 631 N GLU A 43 8.604 -7.170 1.644 1.00 0.00 N ATOM 632 CA GLU A 43 9.625 -7.359 0.627 1.00 0.00 C ATOM 633 C GLU A 43 9.000 -7.913 -0.655 1.00 0.00 C ATOM 634 O GLU A 43 9.569 -8.793 -1.298 1.00 0.00 O ATOM 635 CB GLU A 43 10.740 -8.277 1.134 1.00 0.00 C ATOM 636 CG GLU A 43 12.114 -7.633 0.931 1.00 0.00 C ATOM 637 CD GLU A 43 13.225 -8.683 0.994 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.121 -9.568 1.871 1.00 0.00 O ATOM 639 OE2 GLU A 43 14.153 -8.576 0.163 1.00 0.00 O ATOM 0 H GLU A 43 8.273 -6.210 1.743 1.00 0.00 H new ATOM 0 HA GLU A 43 10.071 -6.390 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.587 -8.491 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.699 -9.230 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.143 -7.125 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.281 -6.875 1.696 1.00 0.00 H new ATOM 646 N ASP A 44 7.838 -7.372 -0.990 1.00 0.00 N ATOM 647 CA ASP A 44 7.129 -7.800 -2.183 1.00 0.00 C ATOM 648 C ASP A 44 7.079 -6.644 -3.184 1.00 0.00 C ATOM 649 O ASP A 44 7.139 -6.861 -4.394 1.00 0.00 O ATOM 650 CB ASP A 44 5.690 -8.204 -1.855 1.00 0.00 C ATOM 651 CG ASP A 44 4.689 -7.049 -1.813 1.00 0.00 C ATOM 652 OD1 ASP A 44 4.788 -6.246 -0.859 1.00 0.00 O ATOM 653 OD2 ASP A 44 3.845 -6.994 -2.734 1.00 0.00 O ATOM 0 H ASP A 44 7.370 -6.640 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 44 7.658 -8.657 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.354 -8.929 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.681 -8.708 -0.889 1.00 0.00 H new ATOM 658 N GLY A 45 6.968 -5.439 -2.643 1.00 0.00 N ATOM 659 CA GLY A 45 6.910 -4.249 -3.473 1.00 0.00 C ATOM 660 C GLY A 45 5.802 -3.304 -3.000 1.00 0.00 C ATOM 661 O GLY A 45 6.064 -2.146 -2.679 1.00 0.00 O ATOM 0 H GLY A 45 6.917 -5.262 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.870 -3.733 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.733 -4.533 -4.510 1.00 0.00 H new ATOM 665 N ARG A 46 4.589 -3.835 -2.972 1.00 0.00 N ATOM 666 CA ARG A 46 3.441 -3.055 -2.543 1.00 0.00 C ATOM 667 C ARG A 46 2.409 -3.957 -1.864 1.00 0.00 C ATOM 668 O ARG A 46 2.341 -4.015 -0.636 1.00 0.00 O ATOM 669 CB ARG A 46 2.784 -2.344 -3.729 1.00 0.00 C ATOM 670 CG ARG A 46 3.662 -1.199 -4.237 1.00 0.00 C ATOM 671 CD ARG A 46 4.514 -1.647 -5.426 1.00 0.00 C ATOM 672 NE ARG A 46 3.668 -2.347 -6.418 1.00 0.00 N ATOM 673 CZ ARG A 46 3.601 -3.680 -6.542 1.00 0.00 C ATOM 674 NH1 ARG A 46 4.328 -4.465 -5.736 1.00 0.00 N ATOM 675 NH2 ARG A 46 2.806 -4.228 -7.472 1.00 0.00 N ATOM 0 H ARG A 46 4.376 -4.796 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 46 3.796 -2.306 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.609 -3.058 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.810 -1.955 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.034 -0.358 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.309 -0.848 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.992 -0.783 -5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.311 -2.307 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 46 3.100 -1.779 -7.047 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.933 -4.048 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.277 -5.479 -5.830 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.252 -3.631 -8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.755 -5.242 -7.566 1.00 0.00 H new ATOM 689 N VAL A 47 1.630 -4.640 -2.690 1.00 0.00 N ATOM 690 CA VAL A 47 0.605 -5.537 -2.184 1.00 0.00 C ATOM 691 C VAL A 47 0.386 -6.670 -3.188 1.00 0.00 C ATOM 692 O VAL A 47 -0.586 -6.657 -3.942 1.00 0.00 O ATOM 693 CB VAL A 47 -0.673 -4.752 -1.880 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.380 -3.565 -0.959 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.353 -4.291 -3.169 1.00 0.00 C ATOM 0 H VAL A 47 1.688 -4.590 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 47 0.923 -5.991 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.361 -5.419 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.304 -3.023 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.039 -3.928 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.334 -2.898 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.258 -3.736 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.674 -3.649 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.613 -5.160 -3.774 1.00 0.00 H new ATOM 705 N ASN A 48 1.304 -7.626 -3.164 1.00 0.00 N ATOM 706 CA ASN A 48 1.223 -8.764 -4.062 1.00 0.00 C ATOM 707 C ASN A 48 -0.045 -9.564 -3.752 1.00 0.00 C ATOM 708 O ASN A 48 -0.619 -10.192 -4.639 1.00 0.00 O ATOM 709 CB ASN A 48 2.425 -9.694 -3.882 1.00 0.00 C ATOM 710 CG ASN A 48 2.318 -10.481 -2.574 1.00 0.00 C ATOM 711 OD1 ASN A 48 2.816 -9.844 -1.519 1.00 0.00 O flip ATOM 712 ND2 ASN A 48 1.818 -11.592 -2.527 1.00 0.00 N flip ATOM 0 H ASN A 48 2.108 -7.635 -2.536 1.00 0.00 H new ATOM 0 HA ASN A 48 1.209 -8.387 -5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.484 -10.385 -4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.345 -9.110 -3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.454 -12.024 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.764 -12.090 -1.638 1.00 0.00 H new ATOM 719 N SER A 49 -0.443 -9.514 -2.489 1.00 0.00 N ATOM 720 CA SER A 49 -1.630 -10.226 -2.050 1.00 0.00 C ATOM 721 C SER A 49 -1.584 -10.439 -0.536 1.00 0.00 C ATOM 722 O SER A 49 -2.624 -10.564 0.109 1.00 0.00 O ATOM 723 CB SER A 49 -1.767 -11.568 -2.771 1.00 0.00 C ATOM 724 OG SER A 49 -2.655 -11.490 -3.883 1.00 0.00 O ATOM 0 H SER A 49 0.036 -8.991 -1.756 1.00 0.00 H new ATOM 0 HA SER A 49 -2.502 -9.621 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.786 -11.897 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.129 -12.320 -2.070 1.00 0.00 H new ATOM 0 HG SER A 49 -2.236 -10.970 -4.600 1.00 0.00 H new ATOM 730 N THR A 50 -0.367 -10.473 -0.013 1.00 0.00 N ATOM 731 CA THR A 50 -0.171 -10.669 1.414 1.00 0.00 C ATOM 732 C THR A 50 -0.356 -9.348 2.164 1.00 0.00 C ATOM 733 O THR A 50 -1.009 -9.308 3.205 1.00 0.00 O ATOM 734 CB THR A 50 1.208 -11.298 1.619 1.00 0.00 C ATOM 735 OG1 THR A 50 1.057 -12.631 1.142 1.00 0.00 O ATOM 736 CG2 THR A 50 1.560 -11.469 3.099 1.00 0.00 C ATOM 0 H THR A 50 0.493 -10.368 -0.551 1.00 0.00 H new ATOM 0 HA THR A 50 -0.918 -11.347 1.827 1.00 0.00 H new ATOM 0 HB THR A 50 1.964 -10.679 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.906 -13.110 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.549 -11.920 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.560 -10.495 3.588 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.823 -12.115 3.576 1.00 0.00 H new ATOM 744 N ASP A 51 0.231 -8.300 1.605 1.00 0.00 N ATOM 745 CA ASP A 51 0.140 -6.982 2.208 1.00 0.00 C ATOM 746 C ASP A 51 -1.221 -6.368 1.877 1.00 0.00 C ATOM 747 O ASP A 51 -1.773 -5.608 2.671 1.00 0.00 O ATOM 748 CB ASP A 51 1.223 -6.050 1.661 1.00 0.00 C ATOM 749 CG ASP A 51 2.590 -6.703 1.447 1.00 0.00 C ATOM 750 OD1 ASP A 51 3.344 -6.783 2.441 1.00 0.00 O ATOM 751 OD2 ASP A 51 2.851 -7.109 0.293 1.00 0.00 O ATOM 0 H ASP A 51 0.771 -8.337 0.741 1.00 0.00 H new ATOM 0 HA ASP A 51 0.270 -7.094 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.881 -5.638 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.341 -5.212 2.348 1.00 0.00 H new ATOM 756 N LEU A 52 -1.725 -6.720 0.703 1.00 0.00 N ATOM 757 CA LEU A 52 -3.012 -6.213 0.258 1.00 0.00 C ATOM 758 C LEU A 52 -3.990 -6.213 1.435 1.00 0.00 C ATOM 759 O LEU A 52 -4.609 -5.193 1.731 1.00 0.00 O ATOM 760 CB LEU A 52 -3.508 -7.003 -0.954 1.00 0.00 C ATOM 761 CG LEU A 52 -4.948 -7.517 -0.877 1.00 0.00 C ATOM 762 CD1 LEU A 52 -5.933 -6.361 -0.686 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.294 -8.368 -2.100 1.00 0.00 C ATOM 0 H LEU A 52 -1.265 -7.350 0.046 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.919 -5.181 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.416 -6.371 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.846 -7.856 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.034 -8.162 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.949 -6.753 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.700 -5.834 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.852 -5.672 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.322 -8.720 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.186 -7.768 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.621 -9.224 -2.150 1.00 0.00 H new ATOM 775 N GLY A 53 -4.098 -7.368 2.074 1.00 0.00 N ATOM 776 CA GLY A 53 -4.990 -7.514 3.212 1.00 0.00 C ATOM 777 C GLY A 53 -4.637 -6.515 4.316 1.00 0.00 C ATOM 778 O GLY A 53 -5.396 -5.583 4.580 1.00 0.00 O ATOM 0 H GLY A 53 -3.582 -8.212 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.021 -7.360 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.925 -8.530 3.601 1.00 0.00 H new ATOM 782 N ILE A 54 -3.486 -6.744 4.931 1.00 0.00 N ATOM 783 CA ILE A 54 -3.024 -5.875 6.001 1.00 0.00 C ATOM 784 C ILE A 54 -3.334 -4.421 5.641 1.00 0.00 C ATOM 785 O ILE A 54 -3.824 -3.662 6.474 1.00 0.00 O ATOM 786 CB ILE A 54 -1.546 -6.134 6.301 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.345 -6.537 7.763 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.689 -4.926 5.916 1.00 0.00 C ATOM 789 CD1 ILE A 54 -1.825 -5.431 8.707 1.00 0.00 C ATOM 0 H ILE A 54 -2.860 -7.518 4.709 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.556 -6.094 6.927 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.215 -6.972 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.891 -7.458 7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.290 -6.744 7.945 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.357 -5.136 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.800 -4.726 4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.013 -4.054 6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.671 -5.742 9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.261 -4.518 8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.886 -5.244 8.539 1.00 0.00 H new ATOM 801 N LEU A 55 -3.032 -4.076 4.397 1.00 0.00 N ATOM 802 CA LEU A 55 -3.272 -2.726 3.916 1.00 0.00 C ATOM 803 C LEU A 55 -4.752 -2.380 4.097 1.00 0.00 C ATOM 804 O LEU A 55 -5.090 -1.447 4.824 1.00 0.00 O ATOM 805 CB LEU A 55 -2.777 -2.574 2.477 1.00 0.00 C ATOM 806 CG LEU A 55 -1.431 -1.869 2.302 1.00 0.00 C ATOM 807 CD1 LEU A 55 -1.554 -0.371 2.592 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.348 -2.531 3.158 1.00 0.00 C ATOM 0 H LEU A 55 -2.624 -4.708 3.708 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.702 -2.006 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.706 -3.566 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.529 -2.024 1.911 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.126 -1.972 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.583 0.106 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.273 0.075 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.893 -0.226 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.598 -2.010 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.634 -2.481 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.237 -3.574 2.861 1.00 0.00 H new ATOM 820 N LYS A 56 -5.593 -3.149 3.423 1.00 0.00 N ATOM 821 CA LYS A 56 -7.028 -2.936 3.500 1.00 0.00 C ATOM 822 C LYS A 56 -7.511 -3.251 4.917 1.00 0.00 C ATOM 823 O LYS A 56 -8.689 -3.080 5.228 1.00 0.00 O ATOM 824 CB LYS A 56 -7.748 -3.736 2.413 1.00 0.00 C ATOM 825 CG LYS A 56 -7.884 -5.206 2.814 1.00 0.00 C ATOM 826 CD LYS A 56 -9.354 -5.632 2.847 1.00 0.00 C ATOM 827 CE LYS A 56 -9.483 -7.140 3.075 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.651 -7.676 2.342 1.00 0.00 N ATOM 0 H LYS A 56 -5.308 -3.921 2.820 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.268 -1.891 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.736 -3.310 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.197 -3.660 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.336 -5.831 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.434 -5.362 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.874 -5.095 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.836 -5.360 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.575 -7.643 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.589 -7.345 4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.724 -8.700 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.517 -7.208 2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.534 -7.497 1.324 1.00 0.00 H new ATOM 842 N ARG A 57 -6.576 -3.705 5.739 1.00 0.00 N ATOM 843 CA ARG A 57 -6.892 -4.045 7.116 1.00 0.00 C ATOM 844 C ARG A 57 -6.700 -2.827 8.022 1.00 0.00 C ATOM 845 O ARG A 57 -7.564 -2.514 8.839 1.00 0.00 O ATOM 846 CB ARG A 57 -6.007 -5.189 7.617 1.00 0.00 C ATOM 847 CG ARG A 57 -6.820 -6.192 8.438 1.00 0.00 C ATOM 848 CD ARG A 57 -6.801 -5.828 9.924 1.00 0.00 C ATOM 849 NE ARG A 57 -8.180 -5.571 10.399 1.00 0.00 N ATOM 850 CZ ARG A 57 -8.514 -5.420 11.688 1.00 0.00 C ATOM 851 NH1 ARG A 57 -7.572 -5.500 12.638 1.00 0.00 N ATOM 852 NH2 ARG A 57 -9.789 -5.190 12.027 1.00 0.00 N ATOM 0 H ARG A 57 -5.600 -3.845 5.478 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.934 -4.365 7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.547 -5.696 6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.197 -4.787 8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.849 -6.213 8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.414 -7.194 8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.354 -6.638 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.182 -4.945 10.083 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.922 -5.505 9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.601 -5.676 12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.826 -5.385 13.619 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.506 -5.130 11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.043 -5.075 13.008 1.00 0.00 H new ATOM 866 N TYR A 58 -5.561 -2.172 7.846 1.00 0.00 N ATOM 867 CA TYR A 58 -5.245 -0.995 8.637 1.00 0.00 C ATOM 868 C TYR A 58 -5.726 0.279 7.939 1.00 0.00 C ATOM 869 O TYR A 58 -6.246 1.186 8.587 1.00 0.00 O ATOM 870 CB TYR A 58 -3.720 -0.958 8.746 1.00 0.00 C ATOM 871 CG TYR A 58 -3.049 0.006 7.765 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.306 1.360 7.841 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.188 -0.479 6.802 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.675 2.267 6.918 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.556 0.428 5.878 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.830 1.755 5.982 1.00 0.00 C ATOM 877 OH TYR A 58 -1.235 2.611 5.110 1.00 0.00 O ATOM 0 H TYR A 58 -4.846 -2.434 7.167 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.733 -1.044 9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.445 -0.675 9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.330 -1.962 8.578 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.981 1.739 8.594 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.988 -1.539 6.741 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.868 3.329 6.967 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.880 0.062 5.120 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.319 2.312 4.931 1.00 0.00 H new ATOM 887 N ILE A 59 -5.536 0.306 6.629 1.00 0.00 N ATOM 888 CA ILE A 59 -5.944 1.454 5.837 1.00 0.00 C ATOM 889 C ILE A 59 -7.444 1.689 6.022 1.00 0.00 C ATOM 890 O ILE A 59 -7.948 2.770 5.722 1.00 0.00 O ATOM 891 CB ILE A 59 -5.526 1.274 4.376 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.479 0.325 3.647 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.070 0.812 4.276 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.410 1.098 2.710 1.00 0.00 C ATOM 0 H ILE A 59 -5.105 -0.449 6.095 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.435 2.354 6.182 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.592 2.242 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.905 -0.404 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.070 -0.233 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.798 0.692 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.420 1.556 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.954 -0.141 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.077 0.401 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.999 1.810 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.817 1.635 1.970 1.00 0.00 H new ATOM 906 N LEU A 60 -8.116 0.659 6.515 1.00 0.00 N ATOM 907 CA LEU A 60 -9.548 0.739 6.744 1.00 0.00 C ATOM 908 C LEU A 60 -9.857 1.979 7.586 1.00 0.00 C ATOM 909 O LEU A 60 -10.600 2.859 7.153 1.00 0.00 O ATOM 910 CB LEU A 60 -10.067 -0.564 7.356 1.00 0.00 C ATOM 911 CG LEU A 60 -11.431 -1.043 6.854 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.317 -1.658 5.457 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.075 -2.006 7.853 1.00 0.00 C ATOM 0 H LEU A 60 -7.694 -0.236 6.762 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.079 0.854 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.335 -1.349 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.124 -0.437 8.437 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.088 -0.177 6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.300 -1.990 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.931 -0.912 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.638 -2.510 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.043 -2.331 7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.429 -2.873 7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.212 -1.501 8.809 1.00 0.00 H new ATOM 925 N LYS A 61 -9.270 2.010 8.773 1.00 0.00 N ATOM 926 CA LYS A 61 -9.474 3.127 9.679 1.00 0.00 C ATOM 927 C LYS A 61 -8.579 2.951 10.909 1.00 0.00 C ATOM 928 O LYS A 61 -8.964 3.319 12.018 1.00 0.00 O ATOM 929 CB LYS A 61 -10.958 3.281 10.016 1.00 0.00 C ATOM 930 CG LYS A 61 -11.310 4.746 10.285 1.00 0.00 C ATOM 931 CD LYS A 61 -10.812 5.646 9.153 1.00 0.00 C ATOM 932 CE LYS A 61 -11.699 6.885 9.006 1.00 0.00 C ATOM 933 NZ LYS A 61 -11.088 8.043 9.696 1.00 0.00 N ATOM 0 H LYS A 61 -8.653 1.280 9.128 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.181 4.062 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.563 2.903 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.200 2.678 10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.390 4.851 10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.866 5.063 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.785 5.951 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.803 5.088 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.840 7.116 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.686 6.685 9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.702 8.875 9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.976 7.825 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.156 8.243 9.280 1.00 0.00 H new ATOM 947 N GLU A 62 -7.404 2.387 10.670 1.00 0.00 N ATOM 948 CA GLU A 62 -6.453 2.157 11.744 1.00 0.00 C ATOM 949 C GLU A 62 -5.112 2.817 11.415 1.00 0.00 C ATOM 950 O GLU A 62 -4.170 2.740 12.202 1.00 0.00 O ATOM 951 CB GLU A 62 -6.278 0.661 12.009 1.00 0.00 C ATOM 952 CG GLU A 62 -7.345 0.147 12.978 1.00 0.00 C ATOM 953 CD GLU A 62 -7.438 -1.380 12.931 1.00 0.00 C ATOM 954 OE1 GLU A 62 -7.998 -1.882 11.932 1.00 0.00 O ATOM 955 OE2 GLU A 62 -6.949 -2.009 13.894 1.00 0.00 O ATOM 0 H GLU A 62 -7.089 2.083 9.749 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.845 2.610 12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.340 0.112 11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.287 0.475 12.422 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.107 0.469 13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.312 0.582 12.724 1.00 0.00 H new ATOM 962 N ILE A 63 -5.070 3.450 10.253 1.00 0.00 N ATOM 963 CA ILE A 63 -3.860 4.123 9.810 1.00 0.00 C ATOM 964 C ILE A 63 -3.204 4.818 11.004 1.00 0.00 C ATOM 965 O ILE A 63 -3.819 5.667 11.648 1.00 0.00 O ATOM 966 CB ILE A 63 -4.166 5.062 8.643 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.001 6.022 8.391 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.483 5.808 8.869 1.00 0.00 C ATOM 969 CD1 ILE A 63 -2.302 5.700 7.068 1.00 0.00 C ATOM 0 H ILE A 63 -5.854 3.512 9.604 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.140 3.400 9.426 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.287 4.459 7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.368 7.048 8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.285 5.954 9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.676 6.469 8.024 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.297 5.089 8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.415 6.398 9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.478 6.397 6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.915 4.681 7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.014 5.792 6.248 1.00 0.00 H new ATOM 981 N ASP A 64 -1.962 4.434 11.263 1.00 0.00 N ATOM 982 CA ASP A 64 -1.215 5.011 12.369 1.00 0.00 C ATOM 983 C ASP A 64 0.063 4.201 12.593 1.00 0.00 C ATOM 984 O ASP A 64 1.160 4.755 12.598 1.00 0.00 O ATOM 985 CB ASP A 64 -2.031 4.974 13.662 1.00 0.00 C ATOM 986 CG ASP A 64 -2.671 6.306 14.061 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.004 7.342 13.850 1.00 0.00 O ATOM 988 OD2 ASP A 64 -3.812 6.258 14.568 1.00 0.00 O ATOM 0 H ASP A 64 -1.454 3.731 10.726 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.984 6.046 12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.818 4.227 13.556 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.383 4.642 14.473 1.00 0.00 H new ATOM 993 N THR A 65 -0.122 2.900 12.772 1.00 0.00 N ATOM 994 CA THR A 65 1.002 2.009 12.996 1.00 0.00 C ATOM 995 C THR A 65 1.007 0.884 11.957 1.00 0.00 C ATOM 996 O THR A 65 2.066 0.471 11.490 1.00 0.00 O ATOM 997 CB THR A 65 0.926 1.504 14.437 1.00 0.00 C ATOM 998 OG1 THR A 65 1.923 0.488 14.503 1.00 0.00 O ATOM 999 CG2 THR A 65 -0.381 0.763 14.730 1.00 0.00 C ATOM 0 H THR A 65 -1.034 2.443 12.766 1.00 0.00 H new ATOM 0 HA THR A 65 1.951 2.531 12.869 1.00 0.00 H new ATOM 0 HB THR A 65 1.027 2.346 15.122 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.943 0.107 15.406 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.383 0.426 15.766 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.224 1.433 14.565 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.467 -0.098 14.068 1.00 0.00 H new ATOM 1007 N LEU A 66 -0.191 0.423 11.628 1.00 0.00 N ATOM 1008 CA LEU A 66 -0.339 -0.646 10.654 1.00 0.00 C ATOM 1009 C LEU A 66 0.227 -1.942 11.235 1.00 0.00 C ATOM 1010 O LEU A 66 1.426 -2.037 11.498 1.00 0.00 O ATOM 1011 CB LEU A 66 0.290 -0.244 9.318 1.00 0.00 C ATOM 1012 CG LEU A 66 0.824 -1.389 8.457 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.752 -1.037 6.969 1.00 0.00 C ATOM 1014 CD2 LEU A 66 2.239 -1.783 8.883 1.00 0.00 C ATOM 0 H LEU A 66 -1.067 0.770 12.018 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.393 -0.825 10.443 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.454 0.303 8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.109 0.446 9.518 1.00 0.00 H new ATOM 0 HG LEU A 66 0.186 -2.259 8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.138 -1.869 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.284 -0.845 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.351 -0.147 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.594 -2.599 8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.904 -0.926 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.229 -2.105 9.924 1.00 0.00 H new