USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 693 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 ASN : amide:sc= -3.23! C(o=-3.2!,f=-4.9!) USER MOD Set 2.1: A 74 SER OG : rot -138:sc= 1.72 USER MOD Set 2.2: A 76 ASN : amide:sc= 0 X(o=1.7,f=1.7) USER MOD Set 2.3: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 THR OG1 : rot 160:sc= 0.00821 USER MOD Set 3.2: A 52 LYS NZ :NH3+ 171:sc= 0.00737 (180deg=0) USER MOD Set 4.1: A 35 LYS NZ :NH3+ 153:sc= 0.292 (180deg=0) USER MOD Set 4.2: A 36 ASN :FLIP amide:sc= 0.0882 F(o=-2.7,f=0.38) USER MOD Set 5.1: A 13 LYS NZ :NH3+ 164:sc= -0.0114 (180deg=-0.15) USER MOD Set 5.2: A 31 LYS NZ :NH3+ -148:sc= 0 (180deg=0) USER MOD Set 6.1: A 19 LYS NZ :NH3+ -174:sc= -0.954 (180deg=-0.11) USER MOD Set 6.2: A 80 HIS : no HD1:sc= -0.79 X(o=-1.7,f=-1.6!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -50:sc= -2.68! USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0266) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.736) USER MOD Single : A 28 GLN : amide:sc= -2.63 K(o=-2.6,f=-9.7!) USER MOD Single : A 32 CYS SG : rot -140:sc= -1.22 USER MOD Single : A 33 SER OG : rot 37:sc= -0.854 USER MOD Single : A 42 SER OG : rot -150:sc=-0.00408 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.57 F(o=-2.5,f=-1.6) USER MOD Single : A 57 THR OG1 : rot -31:sc= 0.448 USER MOD Single : A 58 CYS SG : rot -65:sc= -1.39 USER MOD Single : A 59 GLN : amide:sc= -0.0374 K(o=-0.037,f=-1.3!) USER MOD Single : A 61 LYS NZ :NH3+ -96:sc= -0.163 (180deg=-1.44!) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.624 F(o=-0.053,f=0.62) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=-0.21) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -1.87! C(o=-3.8!,f=-1.9!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 96:sc= 1.19 USER MOD Single : A 99 SER OG : rot 170:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.617 -2.957 2.368 1.00 0.00 N ATOM 67 CA TYR A 8 -13.229 -4.043 3.260 1.00 0.00 C ATOM 68 C TYR A 8 -12.467 -3.509 4.469 1.00 0.00 C ATOM 69 O TYR A 8 -12.845 -3.754 5.613 1.00 0.00 O ATOM 70 CB TYR A 8 -12.370 -5.063 2.511 1.00 0.00 C ATOM 71 CG TYR A 8 -13.172 -6.160 1.849 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.314 -5.867 1.114 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.787 -7.491 1.957 1.00 0.00 C ATOM 74 CE1 TYR A 8 -15.050 -6.866 0.508 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.516 -8.497 1.353 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.647 -8.179 0.630 1.00 0.00 C ATOM 77 OH TYR A 8 -15.376 -9.178 0.026 1.00 0.00 O ATOM 0 HA TYR A 8 -14.137 -4.532 3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.784 -4.544 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.663 -5.512 3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.632 -4.840 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.902 -7.743 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.936 -6.620 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.202 -9.526 1.446 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.957 -10.045 0.208 1.00 0.00 H new ATOM 87 N GLY A 9 -11.390 -2.775 4.204 1.00 0.00 N ATOM 88 CA GLY A 9 -10.591 -2.216 5.279 1.00 0.00 C ATOM 89 C GLY A 9 -9.193 -1.843 4.829 1.00 0.00 C ATOM 90 O GLY A 9 -8.648 -2.450 3.907 1.00 0.00 O ATOM 0 H GLY A 9 -11.057 -2.558 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.090 -1.332 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.527 -2.938 6.093 1.00 0.00 H new ATOM 94 N SER A 10 -8.611 -0.841 5.480 1.00 0.00 N ATOM 95 CA SER A 10 -7.269 -0.384 5.137 1.00 0.00 C ATOM 96 C SER A 10 -6.219 -1.104 5.978 1.00 0.00 C ATOM 97 O SER A 10 -5.099 -1.336 5.524 1.00 0.00 O ATOM 98 CB SER A 10 -7.154 1.127 5.342 1.00 0.00 C ATOM 99 OG SER A 10 -7.974 1.830 4.424 1.00 0.00 O ATOM 0 H SER A 10 -9.047 -0.330 6.248 1.00 0.00 H new ATOM 0 HA SER A 10 -7.090 -0.616 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.443 1.382 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.116 1.436 5.218 1.00 0.00 H new ATOM 0 HG SER A 10 -7.806 1.500 3.517 1.00 0.00 H new ATOM 105 N GLU A 11 -6.591 -1.455 7.205 1.00 0.00 N ATOM 106 CA GLU A 11 -5.681 -2.147 8.110 1.00 0.00 C ATOM 107 C GLU A 11 -6.037 -3.628 8.212 1.00 0.00 C ATOM 108 O GLU A 11 -7.212 -3.996 8.220 1.00 0.00 O ATOM 109 CB GLU A 11 -5.720 -1.505 9.498 1.00 0.00 C ATOM 110 CG GLU A 11 -4.436 -1.689 10.290 1.00 0.00 C ATOM 111 CD GLU A 11 -4.379 -3.023 11.008 1.00 0.00 C ATOM 112 OE1 GLU A 11 -5.433 -3.478 11.500 1.00 0.00 O ATOM 113 OE2 GLU A 11 -3.280 -3.613 11.077 1.00 0.00 O ATOM 0 H GLU A 11 -7.516 -1.272 7.595 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.672 -2.060 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.921 -0.439 9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.549 -1.931 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.583 -1.607 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.345 -0.884 11.019 1.00 0.00 H new ATOM 120 N LYS A 12 -5.014 -4.472 8.288 1.00 0.00 N ATOM 121 CA LYS A 12 -5.217 -5.913 8.390 1.00 0.00 C ATOM 122 C LYS A 12 -3.926 -6.616 8.795 1.00 0.00 C ATOM 123 O LYS A 12 -2.833 -6.205 8.404 1.00 0.00 O ATOM 124 CB LYS A 12 -5.720 -6.473 7.058 1.00 0.00 C ATOM 125 CG LYS A 12 -5.858 -7.986 7.048 1.00 0.00 C ATOM 126 CD LYS A 12 -6.465 -8.482 5.747 1.00 0.00 C ATOM 127 CE LYS A 12 -6.027 -9.904 5.433 1.00 0.00 C ATOM 128 NZ LYS A 12 -6.456 -10.862 6.490 1.00 0.00 N ATOM 0 H LYS A 12 -4.036 -4.183 8.281 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.967 -6.096 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.687 -6.027 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.034 -6.174 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.879 -8.442 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.482 -8.301 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.552 -8.441 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.170 -7.821 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.445 -10.210 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.942 -9.936 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.229 -11.832 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.957 -10.646 7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.482 -10.777 6.640 1.00 0.00 H new ATOM 142 N LYS A 13 -4.058 -7.681 9.579 1.00 0.00 N ATOM 143 CA LYS A 13 -2.902 -8.444 10.035 1.00 0.00 C ATOM 144 C LYS A 13 -3.175 -9.943 9.955 1.00 0.00 C ATOM 145 O LYS A 13 -4.128 -10.443 10.551 1.00 0.00 O ATOM 146 CB LYS A 13 -2.543 -8.056 11.471 1.00 0.00 C ATOM 147 CG LYS A 13 -1.463 -8.931 12.085 1.00 0.00 C ATOM 148 CD LYS A 13 -1.416 -8.780 13.596 1.00 0.00 C ATOM 149 CE LYS A 13 -0.039 -9.115 14.148 1.00 0.00 C ATOM 150 NZ LYS A 13 0.958 -8.055 13.832 1.00 0.00 N ATOM 0 H LYS A 13 -4.955 -8.035 9.912 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.062 -8.210 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.210 -7.018 11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.439 -8.112 12.089 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.649 -9.974 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.494 -8.666 11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.680 -7.758 13.869 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.160 -9.433 14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.102 -9.244 15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.297 -10.065 13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.795 -8.174 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.240 -8.130 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.537 -7.120 14.004 1.00 0.00 H new ATOM 164 N GLY A 14 -2.330 -10.655 9.215 1.00 0.00 N ATOM 165 CA GLY A 14 -2.496 -12.090 9.073 1.00 0.00 C ATOM 166 C GLY A 14 -1.240 -12.772 8.568 1.00 0.00 C ATOM 167 O GLY A 14 -0.140 -12.491 9.043 1.00 0.00 O ATOM 0 H GLY A 14 -1.534 -10.264 8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.776 -12.517 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.317 -12.291 8.385 1.00 0.00 H new ATOM 171 N TYR A 15 -1.404 -13.671 7.605 1.00 0.00 N ATOM 172 CA TYR A 15 -0.274 -14.399 7.039 1.00 0.00 C ATOM 173 C TYR A 15 -0.463 -14.618 5.541 1.00 0.00 C ATOM 174 O TYR A 15 -1.589 -14.673 5.046 1.00 0.00 O ATOM 175 CB TYR A 15 -0.102 -15.745 7.745 1.00 0.00 C ATOM 176 CG TYR A 15 0.691 -15.658 9.029 1.00 0.00 C ATOM 177 CD1 TYR A 15 0.143 -15.083 10.169 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.988 -16.150 9.103 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.864 -15.001 11.345 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.716 -16.073 10.274 1.00 0.00 C ATOM 181 CZ TYR A 15 2.150 -15.498 11.392 1.00 0.00 C ATOM 182 OH TYR A 15 2.872 -15.418 12.561 1.00 0.00 O ATOM 0 H TYR A 15 -2.308 -13.914 7.200 1.00 0.00 H new ATOM 0 HA TYR A 15 0.624 -13.800 7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.086 -16.160 7.963 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.394 -16.440 7.068 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.864 -14.693 10.135 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.435 -16.601 8.229 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.423 -14.551 12.222 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.723 -16.461 10.314 1.00 0.00 H new ATOM 0 HH TYR A 15 3.758 -15.814 12.426 1.00 0.00 H new ATOM 192 N LEU A 16 0.649 -14.743 4.824 1.00 0.00 N ATOM 193 CA LEU A 16 0.608 -14.957 3.381 1.00 0.00 C ATOM 194 C LEU A 16 1.758 -15.853 2.931 1.00 0.00 C ATOM 195 O LEU A 16 2.642 -16.190 3.720 1.00 0.00 O ATOM 196 CB LEU A 16 0.672 -13.618 2.645 1.00 0.00 C ATOM 197 CG LEU A 16 -0.668 -12.927 2.390 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.453 -11.477 1.984 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.457 -13.671 1.322 1.00 0.00 C ATOM 0 H LEU A 16 1.589 -14.700 5.218 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.332 -15.453 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.304 -12.940 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.164 -13.777 1.686 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.244 -12.942 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.418 -11.002 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.070 -10.950 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.143 -11.439 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.408 -13.165 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.886 -13.689 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.643 -14.693 1.653 1.00 0.00 H new ATOM 211 N LEU A 17 1.740 -16.235 1.659 1.00 0.00 N ATOM 212 CA LEU A 17 2.782 -17.090 1.102 1.00 0.00 C ATOM 213 C LEU A 17 3.633 -16.326 0.093 1.00 0.00 C ATOM 214 O LEU A 17 3.113 -15.567 -0.726 1.00 0.00 O ATOM 215 CB LEU A 17 2.160 -18.318 0.435 1.00 0.00 C ATOM 216 CG LEU A 17 1.277 -19.191 1.328 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.350 -20.051 0.483 1.00 0.00 C ATOM 218 CD2 LEU A 17 2.132 -20.060 2.238 1.00 0.00 C ATOM 0 H LEU A 17 1.015 -15.966 0.994 1.00 0.00 H new ATOM 0 HA LEU A 17 3.425 -17.415 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.565 -17.983 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.964 -18.937 0.037 1.00 0.00 H new ATOM 0 HG LEU A 17 0.666 -18.539 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.271 -20.666 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.287 -19.409 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.943 -20.695 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.487 -20.674 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.769 -20.705 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.754 -19.425 2.869 1.00 0.00 H new ATOM 230 N LYS A 18 4.944 -16.532 0.155 1.00 0.00 N ATOM 231 CA LYS A 18 5.868 -15.866 -0.755 1.00 0.00 C ATOM 232 C LYS A 18 6.593 -16.880 -1.633 1.00 0.00 C ATOM 233 O LYS A 18 7.171 -17.847 -1.136 1.00 0.00 O ATOM 234 CB LYS A 18 6.886 -15.039 0.034 1.00 0.00 C ATOM 235 CG LYS A 18 7.729 -14.121 -0.835 1.00 0.00 C ATOM 236 CD LYS A 18 8.366 -13.010 -0.018 1.00 0.00 C ATOM 237 CE LYS A 18 8.743 -11.823 -0.890 1.00 0.00 C ATOM 238 NZ LYS A 18 9.334 -10.713 -0.092 1.00 0.00 N ATOM 0 H LYS A 18 5.391 -17.156 0.827 1.00 0.00 H new ATOM 0 HA LYS A 18 5.290 -15.203 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.358 -14.440 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.545 -15.714 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.507 -14.701 -1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.107 -13.687 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.674 -12.686 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.255 -13.391 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.456 -12.143 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.858 -11.462 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.978 -9.803 -0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.067 -10.823 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.370 -10.737 -0.178 1.00 0.00 H new ATOM 252 N LYS A 19 6.560 -16.653 -2.942 1.00 0.00 N ATOM 253 CA LYS A 19 7.216 -17.545 -3.891 1.00 0.00 C ATOM 254 C LYS A 19 8.621 -17.052 -4.220 1.00 0.00 C ATOM 255 O LYS A 19 8.790 -16.048 -4.912 1.00 0.00 O ATOM 256 CB LYS A 19 6.389 -17.655 -5.174 1.00 0.00 C ATOM 257 CG LYS A 19 7.144 -18.284 -6.332 1.00 0.00 C ATOM 258 CD LYS A 19 6.205 -18.691 -7.455 1.00 0.00 C ATOM 259 CE LYS A 19 5.632 -17.477 -8.170 1.00 0.00 C ATOM 260 NZ LYS A 19 6.662 -16.778 -8.988 1.00 0.00 N ATOM 0 H LYS A 19 6.085 -15.858 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 19 7.295 -18.530 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.495 -18.245 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.054 -16.660 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.883 -17.578 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.691 -19.158 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.740 -19.316 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.392 -19.294 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.808 -17.789 -8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.219 -16.784 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.260 -15.901 -9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.482 -16.548 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.964 -17.396 -9.768 1.00 0.00 H new ATOM 385 N TRP A 27 6.697 -21.802 -2.184 1.00 0.00 N ATOM 386 CA TRP A 27 5.802 -20.982 -1.376 1.00 0.00 C ATOM 387 C TRP A 27 6.037 -21.222 0.111 1.00 0.00 C ATOM 388 O TRP A 27 5.744 -22.300 0.628 1.00 0.00 O ATOM 389 CB TRP A 27 4.344 -21.281 -1.729 1.00 0.00 C ATOM 390 CG TRP A 27 3.961 -20.827 -3.105 1.00 0.00 C ATOM 391 CD1 TRP A 27 3.704 -21.619 -4.188 1.00 0.00 C ATOM 392 CD2 TRP A 27 3.794 -19.475 -3.546 1.00 0.00 C ATOM 393 NE1 TRP A 27 3.387 -20.841 -5.275 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.434 -19.522 -4.907 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.911 -18.230 -2.923 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.193 -18.372 -5.654 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.672 -17.089 -3.665 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.315 -17.166 -5.018 1.00 0.00 C ATOM 0 HA TRP A 27 6.014 -19.935 -1.594 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.170 -22.354 -1.647 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.694 -20.796 -1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.744 -22.698 -4.189 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.154 -21.189 -6.205 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.183 -18.161 -1.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.920 -18.429 -6.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.762 -16.121 -3.194 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.133 -16.256 -5.570 1.00 0.00 H new ATOM 409 N GLN A 28 6.566 -20.211 0.793 1.00 0.00 N ATOM 410 CA GLN A 28 6.840 -20.314 2.221 1.00 0.00 C ATOM 411 C GLN A 28 5.927 -19.390 3.019 1.00 0.00 C ATOM 412 O GLN A 28 5.802 -18.205 2.709 1.00 0.00 O ATOM 413 CB GLN A 28 8.304 -19.975 2.507 1.00 0.00 C ATOM 414 CG GLN A 28 8.830 -18.809 1.685 1.00 0.00 C ATOM 415 CD GLN A 28 10.104 -18.220 2.257 1.00 0.00 C ATOM 416 OE1 GLN A 28 10.063 -17.368 3.145 1.00 0.00 O ATOM 417 NE2 GLN A 28 11.245 -18.671 1.751 1.00 0.00 N ATOM 0 H GLN A 28 6.813 -19.312 0.380 1.00 0.00 H new ATOM 0 HA GLN A 28 6.645 -21.341 2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.414 -19.741 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.917 -20.854 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.015 -19.143 0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.067 -18.033 1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.233 -19.378 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.134 -18.311 2.097 1.00 0.00 H new ATOM 426 N ARG A 29 5.290 -19.939 4.048 1.00 0.00 N ATOM 427 CA ARG A 29 4.386 -19.164 4.889 1.00 0.00 C ATOM 428 C ARG A 29 5.141 -18.061 5.625 1.00 0.00 C ATOM 429 O ARG A 29 6.153 -18.316 6.277 1.00 0.00 O ATOM 430 CB ARG A 29 3.685 -20.076 5.897 1.00 0.00 C ATOM 431 CG ARG A 29 2.565 -19.390 6.663 1.00 0.00 C ATOM 432 CD ARG A 29 2.327 -20.050 8.012 1.00 0.00 C ATOM 433 NE ARG A 29 1.082 -19.601 8.629 1.00 0.00 N ATOM 434 CZ ARG A 29 0.600 -20.103 9.761 1.00 0.00 C ATOM 435 NH1 ARG A 29 1.255 -21.065 10.396 1.00 0.00 N ATOM 436 NH2 ARG A 29 -0.540 -19.642 10.260 1.00 0.00 N ATOM 0 H ARG A 29 5.383 -20.918 4.319 1.00 0.00 H new ATOM 0 HA ARG A 29 3.637 -18.702 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.278 -20.940 5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.421 -20.453 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.814 -18.339 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.648 -19.421 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.299 -21.132 7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.162 -19.828 8.677 1.00 0.00 H new ATOM 0 HE ARG A 29 0.554 -18.862 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.132 -21.422 10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.882 -21.448 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.047 -18.902 9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.909 -20.028 11.129 1.00 0.00 H new ATOM 450 N ARG A 30 4.641 -16.834 5.515 1.00 0.00 N ATOM 451 CA ARG A 30 5.269 -15.692 6.168 1.00 0.00 C ATOM 452 C ARG A 30 4.220 -14.783 6.802 1.00 0.00 C ATOM 453 O ARG A 30 3.081 -14.715 6.339 1.00 0.00 O ATOM 454 CB ARG A 30 6.106 -14.899 5.163 1.00 0.00 C ATOM 455 CG ARG A 30 7.406 -15.586 4.776 1.00 0.00 C ATOM 456 CD ARG A 30 8.428 -15.517 5.899 1.00 0.00 C ATOM 457 NE ARG A 30 9.741 -15.998 5.475 1.00 0.00 N ATOM 458 CZ ARG A 30 10.594 -15.271 4.762 1.00 0.00 C ATOM 459 NH1 ARG A 30 10.274 -14.037 4.395 1.00 0.00 N ATOM 460 NH2 ARG A 30 11.769 -15.778 4.414 1.00 0.00 N ATOM 0 H ARG A 30 3.803 -16.606 4.980 1.00 0.00 H new ATOM 0 HA ARG A 30 5.921 -16.070 6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.514 -14.728 4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.334 -13.920 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.208 -16.628 4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.815 -15.116 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.514 -14.488 6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.079 -16.112 6.743 1.00 0.00 H new ATOM 0 HE ARG A 30 10.018 -16.943 5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.371 -13.644 4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.931 -13.481 3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.018 -16.727 4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.424 -15.219 3.866 1.00 0.00 H new ATOM 474 N LYS A 31 4.611 -14.086 7.863 1.00 0.00 N ATOM 475 CA LYS A 31 3.706 -13.180 8.560 1.00 0.00 C ATOM 476 C LYS A 31 3.648 -11.825 7.863 1.00 0.00 C ATOM 477 O LYS A 31 4.681 -11.214 7.586 1.00 0.00 O ATOM 478 CB LYS A 31 4.152 -12.999 10.013 1.00 0.00 C ATOM 479 CG LYS A 31 3.186 -12.177 10.848 1.00 0.00 C ATOM 480 CD LYS A 31 3.907 -11.417 11.948 1.00 0.00 C ATOM 481 CE LYS A 31 2.927 -10.702 12.866 1.00 0.00 C ATOM 482 NZ LYS A 31 3.507 -10.459 14.216 1.00 0.00 N ATOM 0 H LYS A 31 5.550 -14.131 8.260 1.00 0.00 H new ATOM 0 HA LYS A 31 2.709 -13.620 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.272 -13.980 10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.130 -12.519 10.027 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.656 -11.474 10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.436 -12.833 11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.515 -12.109 12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.588 -10.691 11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.638 -9.751 12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.019 -11.298 12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.752 -10.494 14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.216 -11.190 14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.959 -9.523 14.236 1.00 0.00 H new ATOM 496 N CYS A 32 2.436 -11.360 7.583 1.00 0.00 N ATOM 497 CA CYS A 32 2.244 -10.076 6.918 1.00 0.00 C ATOM 498 C CYS A 32 1.471 -9.112 7.812 1.00 0.00 C ATOM 499 O CYS A 32 0.740 -9.531 8.709 1.00 0.00 O ATOM 500 CB CYS A 32 1.503 -10.269 5.594 1.00 0.00 C ATOM 501 SG CYS A 32 2.547 -10.867 4.245 1.00 0.00 S ATOM 0 H CYS A 32 1.571 -11.853 7.806 1.00 0.00 H new ATOM 0 HA CYS A 32 3.226 -9.648 6.716 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.686 -10.974 5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.055 -9.320 5.299 1.00 0.00 H new ATOM 0 HG CYS A 32 2.221 -10.260 3.143 1.00 0.00 H new ATOM 507 N SER A 33 1.638 -7.817 7.560 1.00 0.00 N ATOM 508 CA SER A 33 0.960 -6.792 8.346 1.00 0.00 C ATOM 509 C SER A 33 0.865 -5.485 7.566 1.00 0.00 C ATOM 510 O SER A 33 1.852 -5.011 7.002 1.00 0.00 O ATOM 511 CB SER A 33 1.698 -6.560 9.665 1.00 0.00 C ATOM 512 OG SER A 33 3.032 -6.141 9.437 1.00 0.00 O ATOM 0 H SER A 33 2.236 -7.453 6.818 1.00 0.00 H new ATOM 0 HA SER A 33 -0.050 -7.141 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.172 -5.807 10.252 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.697 -7.479 10.252 1.00 0.00 H new ATOM 0 HG SER A 33 3.062 -5.557 8.650 1.00 0.00 H new ATOM 518 N VAL A 34 -0.331 -4.905 7.538 1.00 0.00 N ATOM 519 CA VAL A 34 -0.556 -3.651 6.828 1.00 0.00 C ATOM 520 C VAL A 34 -1.103 -2.580 7.765 1.00 0.00 C ATOM 521 O VAL A 34 -2.171 -2.743 8.357 1.00 0.00 O ATOM 522 CB VAL A 34 -1.536 -3.839 5.654 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.190 -2.516 5.288 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.819 -4.439 4.454 1.00 0.00 C ATOM 0 H VAL A 34 -1.159 -5.283 7.999 1.00 0.00 H new ATOM 0 HA VAL A 34 0.410 -3.330 6.438 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.320 -4.531 5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.879 -2.668 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.738 -2.131 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.422 -1.799 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.526 -4.565 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.014 -3.774 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.402 -5.409 4.726 1.00 0.00 H new ATOM 534 N LYS A 35 -0.364 -1.484 7.897 1.00 0.00 N ATOM 535 CA LYS A 35 -0.774 -0.383 8.760 1.00 0.00 C ATOM 536 C LYS A 35 -0.213 0.943 8.256 1.00 0.00 C ATOM 537 O LYS A 35 0.997 1.094 8.095 1.00 0.00 O ATOM 538 CB LYS A 35 -0.308 -0.633 10.196 1.00 0.00 C ATOM 539 CG LYS A 35 -1.126 0.107 11.240 1.00 0.00 C ATOM 540 CD LYS A 35 -1.694 1.403 10.686 1.00 0.00 C ATOM 541 CE LYS A 35 -2.354 2.233 11.777 1.00 0.00 C ATOM 542 NZ LYS A 35 -3.091 3.399 11.217 1.00 0.00 N ATOM 0 H LYS A 35 0.523 -1.335 7.417 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.862 -0.327 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.353 -1.702 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.736 -0.335 10.287 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.940 -0.530 11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.502 0.323 12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.896 1.981 10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.423 1.179 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.043 1.606 12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.595 2.585 12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.865 3.661 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.440 4.203 11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.483 3.148 10.287 1.00 0.00 H new ATOM 556 N ASN A 36 -1.101 1.900 8.010 1.00 0.00 N ATOM 557 CA ASN A 36 -0.694 3.214 7.524 1.00 0.00 C ATOM 558 C ASN A 36 -0.029 3.106 6.155 1.00 0.00 C ATOM 559 O ASN A 36 0.986 3.751 5.894 1.00 0.00 O ATOM 560 CB ASN A 36 0.264 3.874 8.519 1.00 0.00 C ATOM 561 CG ASN A 36 -0.462 4.728 9.541 1.00 0.00 C ATOM 562 OD1 ASN A 36 -0.403 4.318 10.802 1.00 0.00 O flip ATOM 563 ND2 ASN A 36 -1.067 5.744 9.199 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.107 1.791 8.139 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.587 3.831 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.836 3.103 9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.979 4.492 7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.085 6.021 8.217 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.550 6.309 9.897 1.00 0.00 H new ATOM 570 N GLY A 37 -0.609 2.286 5.284 1.00 0.00 N ATOM 571 CA GLY A 37 -0.060 2.109 3.953 1.00 0.00 C ATOM 572 C GLY A 37 1.330 1.505 3.975 1.00 0.00 C ATOM 573 O GLY A 37 2.125 1.727 3.062 1.00 0.00 O ATOM 0 H GLY A 37 -1.449 1.741 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.723 1.467 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.026 3.073 3.446 1.00 0.00 H new ATOM 577 N ILE A 38 1.624 0.740 5.021 1.00 0.00 N ATOM 578 CA ILE A 38 2.928 0.103 5.158 1.00 0.00 C ATOM 579 C ILE A 38 2.787 -1.404 5.343 1.00 0.00 C ATOM 580 O ILE A 38 2.020 -1.868 6.188 1.00 0.00 O ATOM 581 CB ILE A 38 3.716 0.683 6.347 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.856 2.200 6.203 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.085 0.026 6.447 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.705 2.619 5.023 1.00 0.00 C ATOM 0 H ILE A 38 0.977 0.546 5.786 1.00 0.00 H new ATOM 0 HA ILE A 38 3.475 0.304 4.237 1.00 0.00 H new ATOM 0 HB ILE A 38 3.167 0.473 7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.864 2.640 6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.292 2.605 7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.630 0.447 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.964 -1.048 6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.644 0.208 5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.761 3.707 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.709 2.208 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.258 2.244 4.102 1.00 0.00 H new ATOM 596 N LEU A 39 3.533 -2.165 4.550 1.00 0.00 N ATOM 597 CA LEU A 39 3.493 -3.621 4.627 1.00 0.00 C ATOM 598 C LEU A 39 4.811 -4.174 5.159 1.00 0.00 C ATOM 599 O LEU A 39 5.840 -4.115 4.485 1.00 0.00 O ATOM 600 CB LEU A 39 3.196 -4.216 3.250 1.00 0.00 C ATOM 601 CG LEU A 39 3.433 -5.720 3.103 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.461 -6.501 3.973 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.303 -6.140 1.646 1.00 0.00 C ATOM 0 H LEU A 39 4.173 -1.798 3.846 1.00 0.00 H new ATOM 0 HA LEU A 39 2.697 -3.902 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.155 -4.007 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.809 -3.698 2.513 1.00 0.00 H new ATOM 0 HG LEU A 39 4.447 -5.943 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.645 -7.569 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.602 -6.221 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.439 -6.273 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.475 -7.213 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.302 -5.903 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.040 -5.605 1.046 1.00 0.00 H new ATOM 615 N THR A 40 4.773 -4.715 6.373 1.00 0.00 N ATOM 616 CA THR A 40 5.963 -5.280 6.995 1.00 0.00 C ATOM 617 C THR A 40 6.079 -6.773 6.707 1.00 0.00 C ATOM 618 O THR A 40 5.100 -7.513 6.816 1.00 0.00 O ATOM 619 CB THR A 40 5.957 -5.063 8.520 1.00 0.00 C ATOM 620 OG1 THR A 40 5.692 -3.688 8.818 1.00 0.00 O ATOM 621 CG2 THR A 40 7.289 -5.472 9.131 1.00 0.00 C ATOM 0 H THR A 40 3.930 -4.773 6.945 1.00 0.00 H new ATOM 0 HA THR A 40 6.820 -4.762 6.564 1.00 0.00 H new ATOM 0 HB THR A 40 5.172 -5.685 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.375 -3.609 9.742 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.260 -5.310 10.208 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.474 -6.527 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.089 -4.873 8.695 1.00 0.00 H new ATOM 629 N ILE A 41 7.279 -7.208 6.339 1.00 0.00 N ATOM 630 CA ILE A 41 7.521 -8.613 6.037 1.00 0.00 C ATOM 631 C ILE A 41 8.462 -9.242 7.059 1.00 0.00 C ATOM 632 O ILE A 41 9.650 -8.921 7.104 1.00 0.00 O ATOM 633 CB ILE A 41 8.119 -8.791 4.629 1.00 0.00 C ATOM 634 CG1 ILE A 41 7.118 -8.337 3.564 1.00 0.00 C ATOM 635 CG2 ILE A 41 8.520 -10.242 4.403 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.733 -8.155 2.195 1.00 0.00 C ATOM 0 H ILE A 41 8.098 -6.608 6.243 1.00 0.00 H new ATOM 0 HA ILE A 41 6.554 -9.115 6.079 1.00 0.00 H new ATOM 0 HB ILE A 41 9.012 -8.171 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.314 -9.070 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.667 -7.396 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.941 -10.352 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.264 -10.533 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.642 -10.881 4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.966 -7.833 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.518 -7.401 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.159 -9.100 1.859 1.00 0.00 H new ATOM 648 N SER A 42 7.923 -10.139 7.878 1.00 0.00 N ATOM 649 CA SER A 42 8.713 -10.811 8.903 1.00 0.00 C ATOM 650 C SER A 42 9.723 -11.765 8.271 1.00 0.00 C ATOM 651 O SER A 42 9.484 -12.317 7.196 1.00 0.00 O ATOM 652 CB SER A 42 7.800 -11.579 9.860 1.00 0.00 C ATOM 653 OG SER A 42 6.956 -10.696 10.579 1.00 0.00 O ATOM 0 H SER A 42 6.942 -10.417 7.852 1.00 0.00 H new ATOM 0 HA SER A 42 9.257 -10.051 9.463 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.194 -12.289 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.404 -12.158 10.558 1.00 0.00 H new ATOM 0 HG SER A 42 6.751 -11.081 11.456 1.00 0.00 H new ATOM 767 N PRO A 50 12.488 -6.011 10.606 1.00 0.00 N ATOM 768 CA PRO A 50 11.914 -6.561 9.375 1.00 0.00 C ATOM 769 C PRO A 50 11.998 -5.583 8.208 1.00 0.00 C ATOM 770 O PRO A 50 12.650 -4.544 8.303 1.00 0.00 O ATOM 771 CB PRO A 50 10.453 -6.821 9.750 1.00 0.00 C ATOM 772 CG PRO A 50 10.171 -5.865 10.858 1.00 0.00 C ATOM 773 CD PRO A 50 11.460 -5.722 11.620 1.00 0.00 C ATOM 0 HA PRO A 50 12.447 -7.450 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.790 -6.651 8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.304 -7.852 10.069 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.839 -4.903 10.468 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.376 -6.239 11.503 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.574 -4.720 12.033 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.512 -6.420 12.456 1.00 0.00 H new ATOM 781 N ALA A 51 11.335 -5.923 7.108 1.00 0.00 N ATOM 782 CA ALA A 51 11.333 -5.073 5.924 1.00 0.00 C ATOM 783 C ALA A 51 10.086 -4.198 5.878 1.00 0.00 C ATOM 784 O ALA A 51 8.978 -4.663 6.145 1.00 0.00 O ATOM 785 CB ALA A 51 11.431 -5.922 4.665 1.00 0.00 C ATOM 0 H ALA A 51 10.792 -6.781 7.012 1.00 0.00 H new ATOM 0 HA ALA A 51 12.203 -4.418 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.428 -5.274 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.355 -6.500 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.580 -6.601 4.617 1.00 0.00 H new ATOM 791 N LYS A 52 10.273 -2.927 5.538 1.00 0.00 N ATOM 792 CA LYS A 52 9.163 -1.985 5.457 1.00 0.00 C ATOM 793 C LYS A 52 8.882 -1.600 4.008 1.00 0.00 C ATOM 794 O LYS A 52 9.759 -1.092 3.308 1.00 0.00 O ATOM 795 CB LYS A 52 9.470 -0.731 6.278 1.00 0.00 C ATOM 796 CG LYS A 52 9.366 -0.946 7.778 1.00 0.00 C ATOM 797 CD LYS A 52 7.959 -0.674 8.285 1.00 0.00 C ATOM 798 CE LYS A 52 7.922 -0.580 9.802 1.00 0.00 C ATOM 799 NZ LYS A 52 6.549 -0.797 10.338 1.00 0.00 N ATOM 0 H LYS A 52 11.184 -2.526 5.314 1.00 0.00 H new ATOM 0 HA LYS A 52 8.276 -2.471 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.476 -0.387 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.783 0.063 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.649 -1.970 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.071 -0.291 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.589 0.256 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.291 -1.469 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.599 -1.320 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.283 0.400 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.589 -0.877 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.943 0.007 10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.155 -1.672 9.938 1.00 0.00 H new ATOM 813 N LEU A 53 7.653 -1.842 3.564 1.00 0.00 N ATOM 814 CA LEU A 53 7.256 -1.519 2.198 1.00 0.00 C ATOM 815 C LEU A 53 6.240 -0.381 2.181 1.00 0.00 C ATOM 816 O LEU A 53 5.357 -0.312 3.035 1.00 0.00 O ATOM 817 CB LEU A 53 6.668 -2.753 1.511 1.00 0.00 C ATOM 818 CG LEU A 53 7.677 -3.729 0.906 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.132 -5.148 0.937 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.026 -3.321 -0.518 1.00 0.00 C ATOM 0 H LEU A 53 6.915 -2.261 4.130 1.00 0.00 H new ATOM 0 HA LEU A 53 8.144 -1.197 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.060 -3.293 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.997 -2.418 0.720 1.00 0.00 H new ATOM 0 HG LEU A 53 8.587 -3.698 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.864 -5.829 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.934 -5.439 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.207 -5.195 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.745 -4.027 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.123 -3.322 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.460 -2.321 -0.514 1.00 0.00 H new ATOM 832 N ASN A 54 6.371 0.508 1.202 1.00 0.00 N ATOM 833 CA ASN A 54 5.464 1.643 1.073 1.00 0.00 C ATOM 834 C ASN A 54 4.357 1.342 0.068 1.00 0.00 C ATOM 835 O ASN A 54 4.597 1.284 -1.139 1.00 0.00 O ATOM 836 CB ASN A 54 6.234 2.892 0.642 1.00 0.00 C ATOM 837 CG ASN A 54 5.604 4.169 1.165 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.310 5.096 0.261 1.00 0.00 O flip ATOM 839 ND2 ASN A 54 5.385 4.319 2.367 1.00 0.00 N flip ATOM 0 H ASN A 54 7.096 0.465 0.486 1.00 0.00 H new ATOM 0 HA ASN A 54 5.008 1.824 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.261 2.824 1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.278 2.931 -0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.628 3.579 3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.961 5.183 2.704 1.00 0.00 H new ATOM 846 N LEU A 55 3.143 1.151 0.572 1.00 0.00 N ATOM 847 CA LEU A 55 1.997 0.857 -0.281 1.00 0.00 C ATOM 848 C LEU A 55 1.666 2.045 -1.178 1.00 0.00 C ATOM 849 O LEU A 55 1.080 1.884 -2.250 1.00 0.00 O ATOM 850 CB LEU A 55 0.780 0.493 0.572 1.00 0.00 C ATOM 851 CG LEU A 55 0.725 -0.947 1.084 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.982 -1.281 1.873 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.516 -1.162 1.937 1.00 0.00 C ATOM 0 H LEU A 55 2.927 1.194 1.568 1.00 0.00 H new ATOM 0 HA LEU A 55 2.256 0.008 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.749 1.164 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.119 0.684 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 55 0.671 -1.617 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.925 -2.309 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.856 -1.167 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.067 -0.606 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.539 -2.192 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.493 -0.484 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.406 -0.964 1.340 1.00 0.00 H new ATOM 865 N LEU A 56 2.047 3.238 -0.735 1.00 0.00 N ATOM 866 CA LEU A 56 1.794 4.455 -1.499 1.00 0.00 C ATOM 867 C LEU A 56 2.513 4.414 -2.843 1.00 0.00 C ATOM 868 O LEU A 56 2.299 5.270 -3.702 1.00 0.00 O ATOM 869 CB LEU A 56 2.243 5.682 -0.704 1.00 0.00 C ATOM 870 CG LEU A 56 1.805 5.731 0.760 1.00 0.00 C ATOM 871 CD1 LEU A 56 1.928 7.145 1.307 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.378 5.223 0.907 1.00 0.00 C ATOM 0 H LEU A 56 2.532 3.389 0.149 1.00 0.00 H new ATOM 0 HA LEU A 56 0.722 4.522 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.331 5.734 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.865 6.573 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 56 2.462 5.081 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.612 7.160 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.965 7.473 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.295 7.816 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.083 5.265 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.293 5.847 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.320 4.193 0.555 1.00 0.00 H new ATOM 884 N THR A 57 3.368 3.411 -3.021 1.00 0.00 N ATOM 885 CA THR A 57 4.118 3.257 -4.261 1.00 0.00 C ATOM 886 C THR A 57 4.031 1.827 -4.783 1.00 0.00 C ATOM 887 O THR A 57 4.043 1.596 -5.993 1.00 0.00 O ATOM 888 CB THR A 57 5.600 3.632 -4.071 1.00 0.00 C ATOM 889 OG1 THR A 57 6.240 2.680 -3.214 1.00 0.00 O ATOM 890 CG2 THR A 57 5.733 5.026 -3.477 1.00 0.00 C ATOM 0 H THR A 57 3.558 2.693 -2.322 1.00 0.00 H new ATOM 0 HA THR A 57 3.669 3.934 -4.988 1.00 0.00 H new ATOM 0 HB THR A 57 6.083 3.623 -5.048 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.590 2.332 -2.569 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.788 5.269 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.270 5.752 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.236 5.057 -2.507 1.00 0.00 H new ATOM 898 N CYS A 58 3.941 0.872 -3.865 1.00 0.00 N ATOM 899 CA CYS A 58 3.852 -0.537 -4.233 1.00 0.00 C ATOM 900 C CYS A 58 2.875 -0.736 -5.387 1.00 0.00 C ATOM 901 O CYS A 58 1.883 -0.016 -5.504 1.00 0.00 O ATOM 902 CB CYS A 58 3.415 -1.373 -3.029 1.00 0.00 C ATOM 903 SG CYS A 58 1.623 -1.558 -2.870 1.00 0.00 S ATOM 0 H CYS A 58 3.928 1.047 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 58 4.840 -0.866 -4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.866 -2.362 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.804 -0.913 -2.121 1.00 0.00 H new ATOM 0 HG CYS A 58 1.085 -0.396 -2.643 1.00 0.00 H new ATOM 909 N GLN A 59 3.164 -1.715 -6.238 1.00 0.00 N ATOM 910 CA GLN A 59 2.312 -2.006 -7.385 1.00 0.00 C ATOM 911 C GLN A 59 1.649 -3.372 -7.238 1.00 0.00 C ATOM 912 O GLN A 59 2.287 -4.407 -7.429 1.00 0.00 O ATOM 913 CB GLN A 59 3.127 -1.959 -8.678 1.00 0.00 C ATOM 914 CG GLN A 59 2.320 -1.522 -9.890 1.00 0.00 C ATOM 915 CD GLN A 59 3.194 -1.186 -11.083 1.00 0.00 C ATOM 916 OE1 GLN A 59 4.356 -0.809 -10.929 1.00 0.00 O ATOM 917 NE2 GLN A 59 2.639 -1.323 -12.281 1.00 0.00 N ATOM 0 H GLN A 59 3.981 -2.320 -6.155 1.00 0.00 H new ATOM 0 HA GLN A 59 1.532 -1.246 -7.428 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.966 -1.276 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.548 -2.946 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.626 -2.316 -10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.720 -0.651 -9.627 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.672 -1.638 -12.362 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.179 -1.113 -13.120 1.00 0.00 H new ATOM 926 N VAL A 60 0.364 -3.368 -6.896 1.00 0.00 N ATOM 927 CA VAL A 60 -0.385 -4.606 -6.724 1.00 0.00 C ATOM 928 C VAL A 60 -0.876 -5.142 -8.064 1.00 0.00 C ATOM 929 O VAL A 60 -1.800 -4.593 -8.664 1.00 0.00 O ATOM 930 CB VAL A 60 -1.594 -4.406 -5.790 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.365 -5.707 -5.628 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.140 -3.874 -4.439 1.00 0.00 C ATOM 0 H VAL A 60 -0.179 -2.520 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 60 0.297 -5.328 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.261 -3.670 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.215 -5.546 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.723 -6.042 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.711 -6.467 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.006 -3.738 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.452 -4.585 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.636 -2.917 -4.575 1.00 0.00 H new ATOM 942 N LYS A 61 -0.252 -6.219 -8.529 1.00 0.00 N ATOM 943 CA LYS A 61 -0.625 -6.833 -9.798 1.00 0.00 C ATOM 944 C LYS A 61 -1.383 -8.136 -9.570 1.00 0.00 C ATOM 945 O LYS A 61 -0.800 -9.219 -9.507 1.00 0.00 O ATOM 946 CB LYS A 61 0.621 -7.097 -10.646 1.00 0.00 C ATOM 947 CG LYS A 61 1.518 -5.881 -10.804 1.00 0.00 C ATOM 948 CD LYS A 61 0.870 -4.820 -11.678 1.00 0.00 C ATOM 949 CE LYS A 61 1.121 -5.084 -13.154 1.00 0.00 C ATOM 950 NZ LYS A 61 0.075 -5.963 -13.746 1.00 0.00 N ATOM 0 H LYS A 61 0.515 -6.685 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.279 -6.141 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.195 -7.905 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.312 -7.441 -11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.739 -5.461 -9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.469 -6.184 -11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.203 -4.797 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.262 -3.838 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.147 -4.137 -13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.099 -5.549 -13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.408 -6.948 -13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.797 -5.891 -13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.117 -5.664 -14.723 1.00 0.00 H new ATOM 964 N PRO A 62 -2.715 -8.033 -9.443 1.00 0.00 N ATOM 965 CA PRO A 62 -3.581 -9.195 -9.222 1.00 0.00 C ATOM 966 C PRO A 62 -3.669 -10.095 -10.450 1.00 0.00 C ATOM 967 O PRO A 62 -4.233 -9.710 -11.473 1.00 0.00 O ATOM 968 CB PRO A 62 -4.944 -8.568 -8.919 1.00 0.00 C ATOM 969 CG PRO A 62 -4.906 -7.237 -9.586 1.00 0.00 C ATOM 970 CD PRO A 62 -3.477 -6.775 -9.506 1.00 0.00 C ATOM 0 HA PRO A 62 -3.206 -9.838 -8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.757 -9.182 -9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.104 -8.468 -7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.235 -7.310 -10.623 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.573 -6.532 -9.089 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.198 -6.179 -10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.304 -6.156 -8.626 1.00 0.00 H new ATOM 978 N ASN A 63 -3.107 -11.294 -10.341 1.00 0.00 N ATOM 979 CA ASN A 63 -3.123 -12.249 -11.443 1.00 0.00 C ATOM 980 C ASN A 63 -4.502 -12.308 -12.093 1.00 0.00 C ATOM 981 O ASN A 63 -5.512 -12.008 -11.457 1.00 0.00 O ATOM 982 CB ASN A 63 -2.721 -13.639 -10.947 1.00 0.00 C ATOM 983 CG ASN A 63 -1.217 -13.838 -10.939 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.547 -13.236 -9.963 1.00 0.00 O flip ATOM 985 ND2 ASN A 63 -0.666 -14.524 -11.799 1.00 0.00 N flip ATOM 0 H ASN A 63 -2.635 -11.628 -9.501 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.403 -11.915 -12.190 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.110 -13.789 -9.940 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.181 -14.396 -11.582 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.221 -14.968 -12.530 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.346 -14.649 -11.781 1.00 0.00 H new ATOM 992 N ALA A 64 -4.536 -12.696 -13.363 1.00 0.00 N ATOM 993 CA ALA A 64 -5.790 -12.797 -14.098 1.00 0.00 C ATOM 994 C ALA A 64 -6.203 -14.253 -14.283 1.00 0.00 C ATOM 995 O ALA A 64 -7.269 -14.668 -13.831 1.00 0.00 O ATOM 996 CB ALA A 64 -5.669 -12.105 -15.448 1.00 0.00 C ATOM 0 H ALA A 64 -3.709 -12.946 -13.905 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.564 -12.298 -13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.613 -12.189 -15.986 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.429 -11.052 -15.297 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.877 -12.578 -16.029 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.351 -15.024 -14.953 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.629 -16.434 -15.199 1.00 0.00 C ATOM 1004 C GLU A 65 -5.963 -17.158 -13.897 1.00 0.00 C ATOM 1005 O GLU A 65 -6.655 -18.176 -13.900 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.430 -17.103 -15.874 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.155 -17.041 -15.051 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.351 -15.783 -15.315 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -2.091 -15.482 -16.499 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -1.981 -15.099 -14.338 1.00 0.00 O ATOM 0 H GLU A 65 -4.464 -14.696 -15.334 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.492 -16.497 -15.862 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.672 -18.147 -16.075 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.254 -16.626 -16.838 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.408 -17.091 -13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.541 -17.914 -15.273 1.00 0.00 H new ATOM 1017 N ASP A 66 -5.465 -16.626 -12.787 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.710 -17.219 -11.477 1.00 0.00 C ATOM 1019 C ASP A 66 -6.944 -16.605 -10.824 1.00 0.00 C ATOM 1020 O ASP A 66 -7.629 -15.775 -11.423 1.00 0.00 O ATOM 1021 CB ASP A 66 -4.491 -17.031 -10.572 1.00 0.00 C ATOM 1022 CG ASP A 66 -3.481 -18.152 -10.720 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -3.899 -19.328 -10.736 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -2.273 -17.853 -10.820 1.00 0.00 O ATOM 0 H ASP A 66 -4.889 -15.785 -12.768 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.888 -18.285 -11.616 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.011 -16.081 -10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.818 -16.975 -9.534 1.00 0.00 H new ATOM 1029 N LYS A 67 -7.223 -17.019 -9.593 1.00 0.00 N ATOM 1030 CA LYS A 67 -8.374 -16.510 -8.857 1.00 0.00 C ATOM 1031 C LYS A 67 -7.938 -15.846 -7.555 1.00 0.00 C ATOM 1032 O LYS A 67 -8.427 -14.774 -7.198 1.00 0.00 O ATOM 1033 CB LYS A 67 -9.357 -17.644 -8.559 1.00 0.00 C ATOM 1034 CG LYS A 67 -10.399 -17.848 -9.645 1.00 0.00 C ATOM 1035 CD LYS A 67 -11.433 -16.734 -9.642 1.00 0.00 C ATOM 1036 CE LYS A 67 -12.064 -16.554 -11.014 1.00 0.00 C ATOM 1037 NZ LYS A 67 -11.277 -15.622 -11.868 1.00 0.00 N ATOM 0 H LYS A 67 -6.667 -17.706 -9.084 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.868 -15.762 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.799 -18.571 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.863 -17.436 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.909 -17.888 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.896 -18.807 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.209 -16.959 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.963 -15.801 -9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.141 -17.522 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.079 -16.173 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.740 -15.526 -12.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.225 -14.690 -11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.316 -15.998 -11.998 1.00 0.00 H new ATOM 1051 N LYS A 68 -7.014 -16.489 -6.849 1.00 0.00 N ATOM 1052 CA LYS A 68 -6.508 -15.960 -5.588 1.00 0.00 C ATOM 1053 C LYS A 68 -4.994 -15.784 -5.640 1.00 0.00 C ATOM 1054 O LYS A 68 -4.263 -16.380 -4.849 1.00 0.00 O ATOM 1055 CB LYS A 68 -6.885 -16.891 -4.433 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.157 -18.224 -4.464 1.00 0.00 C ATOM 1057 CD LYS A 68 -6.992 -19.330 -3.841 1.00 0.00 C ATOM 1058 CE LYS A 68 -6.676 -20.682 -4.461 1.00 0.00 C ATOM 1059 NZ LYS A 68 -7.064 -21.807 -3.565 1.00 0.00 N ATOM 0 H LYS A 68 -6.600 -17.378 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.964 -14.984 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.669 -16.391 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.959 -17.073 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.917 -18.485 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.211 -18.136 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.805 -19.368 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.051 -19.106 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.201 -20.777 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.610 -20.742 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.833 -22.711 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.545 -21.731 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.086 -21.765 -3.378 1.00 0.00 H new ATOM 1073 N SER A 69 -4.530 -14.961 -6.574 1.00 0.00 N ATOM 1074 CA SER A 69 -3.102 -14.708 -6.730 1.00 0.00 C ATOM 1075 C SER A 69 -2.839 -13.232 -7.013 1.00 0.00 C ATOM 1076 O SER A 69 -3.592 -12.584 -7.740 1.00 0.00 O ATOM 1077 CB SER A 69 -2.531 -15.566 -7.861 1.00 0.00 C ATOM 1078 OG SER A 69 -2.477 -16.932 -7.488 1.00 0.00 O ATOM 0 H SER A 69 -5.122 -14.458 -7.235 1.00 0.00 H new ATOM 0 HA SER A 69 -2.607 -14.974 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.147 -15.454 -8.753 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.531 -15.216 -8.118 1.00 0.00 H new ATOM 0 HG SER A 69 -2.110 -17.459 -8.228 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.765 -12.707 -6.433 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.402 -11.308 -6.620 1.00 0.00 C ATOM 1086 C PHE A 70 0.102 -11.109 -6.455 1.00 0.00 C ATOM 1087 O PHE A 70 0.720 -11.683 -5.559 1.00 0.00 O ATOM 1088 CB PHE A 70 -2.157 -10.425 -5.624 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.526 -10.384 -4.262 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.827 -11.349 -3.315 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.631 -9.380 -3.928 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -1.248 -11.315 -2.060 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.049 -9.340 -2.675 1.00 0.00 C ATOM 1094 CZ PHE A 70 -0.359 -10.309 -1.740 1.00 0.00 C ATOM 0 H PHE A 70 -1.131 -13.230 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.680 -11.019 -7.634 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.214 -9.411 -6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.180 -10.789 -5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.523 -12.138 -3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.385 -8.620 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.491 -12.074 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.647 -8.552 -2.427 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.094 -10.279 -0.760 1.00 0.00 H new ATOM 1104 N ASP A 71 0.684 -10.293 -7.327 1.00 0.00 N ATOM 1105 CA ASP A 71 2.115 -10.018 -7.279 1.00 0.00 C ATOM 1106 C ASP A 71 2.380 -8.603 -6.774 1.00 0.00 C ATOM 1107 O ASP A 71 1.692 -7.656 -7.158 1.00 0.00 O ATOM 1108 CB ASP A 71 2.739 -10.203 -8.664 1.00 0.00 C ATOM 1109 CG ASP A 71 2.941 -11.664 -9.017 1.00 0.00 C ATOM 1110 OD1 ASP A 71 2.689 -12.524 -8.148 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.351 -11.946 -10.162 1.00 0.00 O ATOM 0 H ASP A 71 0.187 -9.811 -8.076 1.00 0.00 H new ATOM 0 HA ASP A 71 2.572 -10.724 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.099 -9.736 -9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.699 -9.688 -8.699 1.00 0.00 H new ATOM 1116 N LEU A 72 3.379 -8.467 -5.910 1.00 0.00 N ATOM 1117 CA LEU A 72 3.734 -7.167 -5.350 1.00 0.00 C ATOM 1118 C LEU A 72 5.082 -6.694 -5.884 1.00 0.00 C ATOM 1119 O LEU A 72 6.123 -7.273 -5.571 1.00 0.00 O ATOM 1120 CB LEU A 72 3.776 -7.242 -3.823 1.00 0.00 C ATOM 1121 CG LEU A 72 3.562 -5.922 -3.080 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.119 -5.461 -3.217 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.940 -6.068 -1.613 1.00 0.00 C ATOM 0 H LEU A 72 3.958 -9.240 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 72 2.972 -6.449 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.015 -7.949 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.742 -7.651 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 72 4.208 -5.166 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.985 -4.521 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.882 -5.316 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.454 -6.216 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.781 -5.119 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.320 -6.837 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.989 -6.352 -1.534 1.00 0.00 H new ATOM 1135 N ILE A 73 5.056 -5.638 -6.691 1.00 0.00 N ATOM 1136 CA ILE A 73 6.276 -5.086 -7.266 1.00 0.00 C ATOM 1137 C ILE A 73 6.806 -3.930 -6.424 1.00 0.00 C ATOM 1138 O ILE A 73 6.133 -2.914 -6.251 1.00 0.00 O ATOM 1139 CB ILE A 73 6.047 -4.593 -8.707 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.500 -5.728 -9.576 1.00 0.00 C ATOM 1141 CG2 ILE A 73 7.340 -4.046 -9.292 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.600 -5.252 -10.694 1.00 0.00 C ATOM 0 H ILE A 73 4.203 -5.148 -6.961 1.00 0.00 H new ATOM 0 HA ILE A 73 7.011 -5.891 -7.279 1.00 0.00 H new ATOM 0 HB ILE A 73 5.312 -3.788 -8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.335 -6.282 -10.004 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.946 -6.423 -8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.161 -3.702 -10.311 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.691 -3.212 -8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.096 -4.831 -9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.249 -6.109 -11.269 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.745 -4.723 -10.273 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.156 -4.580 -11.348 1.00 0.00 H new ATOM 1154 N SER A 74 8.018 -4.092 -5.903 1.00 0.00 N ATOM 1155 CA SER A 74 8.639 -3.063 -5.077 1.00 0.00 C ATOM 1156 C SER A 74 9.779 -2.379 -5.827 1.00 0.00 C ATOM 1157 O SER A 74 10.509 -3.016 -6.586 1.00 0.00 O ATOM 1158 CB SER A 74 9.163 -3.671 -3.775 1.00 0.00 C ATOM 1159 OG SER A 74 10.353 -4.407 -3.999 1.00 0.00 O ATOM 0 H SER A 74 8.589 -4.926 -6.038 1.00 0.00 H new ATOM 0 HA SER A 74 7.882 -2.315 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.352 -2.879 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.404 -4.323 -3.343 1.00 0.00 H new ATOM 0 HG SER A 74 10.323 -5.242 -3.487 1.00 0.00 H new ATOM 1165 N HIS A 75 9.925 -1.076 -5.607 1.00 0.00 N ATOM 1166 CA HIS A 75 10.975 -0.304 -6.261 1.00 0.00 C ATOM 1167 C HIS A 75 12.304 -1.053 -6.222 1.00 0.00 C ATOM 1168 O HIS A 75 13.195 -0.798 -7.032 1.00 0.00 O ATOM 1169 CB HIS A 75 11.127 1.062 -5.590 1.00 0.00 C ATOM 1170 CG HIS A 75 11.754 2.097 -6.472 1.00 0.00 C ATOM 1171 ND1 HIS A 75 11.350 2.323 -7.771 1.00 0.00 N ATOM 1172 CD2 HIS A 75 12.760 2.970 -6.236 1.00 0.00 C ATOM 1173 CE1 HIS A 75 12.082 3.290 -8.296 1.00 0.00 C ATOM 1174 NE2 HIS A 75 12.945 3.700 -7.384 1.00 0.00 N ATOM 0 H HIS A 75 9.330 -0.533 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 75 10.689 -0.159 -7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.145 1.413 -5.273 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.731 0.950 -4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.315 3.074 -5.315 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.990 3.679 -9.299 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.636 4.439 -7.512 1.00 0.00 H new ATOM 1183 N ASN A 76 12.430 -1.976 -5.275 1.00 0.00 N ATOM 1184 CA ASN A 76 13.651 -2.761 -5.130 1.00 0.00 C ATOM 1185 C ASN A 76 13.642 -3.960 -6.073 1.00 0.00 C ATOM 1186 O ASN A 76 14.636 -4.246 -6.739 1.00 0.00 O ATOM 1187 CB ASN A 76 13.807 -3.236 -3.684 1.00 0.00 C ATOM 1188 CG ASN A 76 15.190 -3.794 -3.405 1.00 0.00 C ATOM 1189 OD1 ASN A 76 15.352 -4.992 -3.173 1.00 0.00 O ATOM 1190 ND2 ASN A 76 16.193 -2.925 -3.426 1.00 0.00 N ATOM 0 H ASN A 76 11.702 -2.199 -4.596 1.00 0.00 H new ATOM 0 HA ASN A 76 14.496 -2.124 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.611 -2.404 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.060 -4.001 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.146 -3.241 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.011 -1.941 -3.623 1.00 0.00 H new ATOM 1197 N ARG A 77 12.511 -4.657 -6.124 1.00 0.00 N ATOM 1198 CA ARG A 77 12.373 -5.826 -6.985 1.00 0.00 C ATOM 1199 C ARG A 77 10.929 -6.319 -7.003 1.00 0.00 C ATOM 1200 O ARG A 77 10.100 -5.880 -6.204 1.00 0.00 O ATOM 1201 CB ARG A 77 13.300 -6.947 -6.512 1.00 0.00 C ATOM 1202 CG ARG A 77 13.239 -8.194 -7.379 1.00 0.00 C ATOM 1203 CD ARG A 77 14.386 -9.143 -7.070 1.00 0.00 C ATOM 1204 NE ARG A 77 14.231 -9.783 -5.766 1.00 0.00 N ATOM 1205 CZ ARG A 77 15.215 -10.415 -5.136 1.00 0.00 C ATOM 1206 NH1 ARG A 77 16.419 -10.491 -5.687 1.00 0.00 N ATOM 1207 NH2 ARG A 77 14.996 -10.971 -3.952 1.00 0.00 N ATOM 0 H ARG A 77 11.678 -4.433 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 77 12.653 -5.536 -7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.325 -6.576 -6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.040 -7.214 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.289 -8.704 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.274 -7.910 -8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.442 -9.908 -7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.327 -8.594 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 77 13.317 -9.742 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.591 -10.063 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.173 -10.977 -5.201 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.072 -10.913 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.752 -11.456 -3.469 1.00 0.00 H new ATOM 1221 N THR A 78 10.633 -7.235 -7.920 1.00 0.00 N ATOM 1222 CA THR A 78 9.290 -7.788 -8.044 1.00 0.00 C ATOM 1223 C THR A 78 9.113 -9.009 -7.149 1.00 0.00 C ATOM 1224 O THR A 78 9.959 -9.903 -7.128 1.00 0.00 O ATOM 1225 CB THR A 78 8.977 -8.183 -9.499 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.028 -7.026 -10.342 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.605 -8.830 -9.601 1.00 0.00 C ATOM 0 H THR A 78 11.306 -7.610 -8.588 1.00 0.00 H new ATOM 0 HA THR A 78 8.597 -7.007 -7.730 1.00 0.00 H new ATOM 0 HB THR A 78 9.726 -8.904 -9.826 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.830 -7.285 -11.266 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.406 -9.100 -10.638 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.578 -9.726 -8.981 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.845 -8.128 -9.257 1.00 0.00 H new ATOM 1235 N TYR A 79 8.009 -9.040 -6.410 1.00 0.00 N ATOM 1236 CA TYR A 79 7.722 -10.151 -5.511 1.00 0.00 C ATOM 1237 C TYR A 79 6.403 -10.823 -5.879 1.00 0.00 C ATOM 1238 O TYR A 79 5.505 -10.191 -6.437 1.00 0.00 O ATOM 1239 CB TYR A 79 7.672 -9.663 -4.063 1.00 0.00 C ATOM 1240 CG TYR A 79 8.894 -8.876 -3.646 1.00 0.00 C ATOM 1241 CD1 TYR A 79 10.165 -9.259 -4.056 1.00 0.00 C ATOM 1242 CD2 TYR A 79 8.777 -7.747 -2.843 1.00 0.00 C ATOM 1243 CE1 TYR A 79 11.284 -8.544 -3.677 1.00 0.00 C ATOM 1244 CE2 TYR A 79 9.891 -7.025 -2.461 1.00 0.00 C ATOM 1245 CZ TYR A 79 11.142 -7.427 -2.879 1.00 0.00 C ATOM 1246 OH TYR A 79 12.254 -6.711 -2.501 1.00 0.00 O ATOM 0 H TYR A 79 7.298 -8.308 -6.416 1.00 0.00 H new ATOM 0 HA TYR A 79 8.523 -10.883 -5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.787 -9.041 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.561 -10.523 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.280 -10.131 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.799 -7.429 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.265 -8.857 -4.003 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.783 -6.150 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 79 11.981 -5.954 -1.942 1.00 0.00 H new ATOM 1256 N HIS A 80 6.293 -12.109 -5.563 1.00 0.00 N ATOM 1257 CA HIS A 80 5.083 -12.868 -5.858 1.00 0.00 C ATOM 1258 C HIS A 80 4.457 -13.413 -4.578 1.00 0.00 C ATOM 1259 O HIS A 80 5.121 -14.083 -3.786 1.00 0.00 O ATOM 1260 CB HIS A 80 5.398 -14.018 -6.815 1.00 0.00 C ATOM 1261 CG HIS A 80 6.333 -13.638 -7.922 1.00 0.00 C ATOM 1262 ND1 HIS A 80 5.990 -12.760 -8.928 1.00 0.00 N ATOM 1263 CD2 HIS A 80 7.607 -14.019 -8.175 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.011 -12.620 -9.754 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.005 -13.373 -9.320 1.00 0.00 N ATOM 0 H HIS A 80 7.027 -12.647 -5.103 1.00 0.00 H new ATOM 0 HA HIS A 80 4.369 -12.195 -6.332 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.834 -14.841 -6.249 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.467 -14.385 -7.247 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.200 -14.703 -7.586 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.030 -11.996 -10.635 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.920 -13.461 -9.763 1.00 0.00 H new ATOM 1274 N PHE A 81 3.176 -13.122 -4.381 1.00 0.00 N ATOM 1275 CA PHE A 81 2.461 -13.581 -3.196 1.00 0.00 C ATOM 1276 C PHE A 81 1.289 -14.480 -3.582 1.00 0.00 C ATOM 1277 O PHE A 81 0.786 -14.412 -4.702 1.00 0.00 O ATOM 1278 CB PHE A 81 1.956 -12.386 -2.384 1.00 0.00 C ATOM 1279 CG PHE A 81 3.045 -11.657 -1.651 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.632 -12.211 -0.525 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.481 -10.416 -2.088 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.633 -11.541 0.152 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.483 -9.742 -1.415 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.060 -10.306 -0.294 1.00 0.00 C ATOM 0 H PHE A 81 2.611 -12.570 -5.027 1.00 0.00 H new ATOM 0 HA PHE A 81 3.154 -14.159 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.450 -11.690 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.214 -12.733 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.303 -13.178 -0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.033 -9.971 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.081 -11.983 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.814 -8.776 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.844 -9.782 0.233 1.00 0.00 H new ATOM 1294 N GLN A 82 0.863 -15.320 -2.644 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.248 -16.233 -2.887 1.00 0.00 C ATOM 1296 C GLN A 82 -1.098 -16.402 -1.631 1.00 0.00 C ATOM 1297 O GLN A 82 -0.572 -16.608 -0.538 1.00 0.00 O ATOM 1298 CB GLN A 82 0.274 -17.594 -3.350 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.706 -18.355 -4.228 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.075 -19.561 -4.896 1.00 0.00 C ATOM 1301 OE1 GLN A 82 0.637 -19.326 -5.992 1.00 0.00 O flip ATOM 1302 NE2 GLN A 82 -0.227 -20.692 -4.434 1.00 0.00 N flip ATOM 0 H GLN A 82 1.269 -15.387 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.872 -15.805 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.204 -17.449 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.511 -18.200 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.553 -18.681 -3.624 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.099 -17.685 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.782 -20.827 -3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.202 -21.494 -4.896 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.413 -16.313 -1.796 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.335 -16.458 -0.677 1.00 0.00 C ATOM 1313 C ALA A 83 -3.683 -17.923 -0.438 1.00 0.00 C ATOM 1314 O ALA A 83 -3.722 -18.721 -1.374 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.599 -15.647 -0.926 1.00 0.00 C ATOM 0 H ALA A 83 -2.864 -16.141 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.843 -16.078 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.279 -15.765 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.340 -14.594 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.085 -16.001 -1.835 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.934 -18.270 0.821 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.276 -19.640 1.181 1.00 0.00 C ATOM 1323 C GLU A 84 -5.711 -19.967 0.775 1.00 0.00 C ATOM 1324 O GLU A 84 -5.981 -21.028 0.211 1.00 0.00 O ATOM 1325 CB GLU A 84 -4.099 -19.855 2.686 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.661 -19.719 3.155 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.258 -18.277 3.391 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.967 -17.579 4.146 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.234 -17.845 2.821 1.00 0.00 O ATOM 0 H GLU A 84 -3.907 -17.621 1.608 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.603 -20.308 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.717 -19.135 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.466 -20.847 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.529 -20.285 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.997 -20.161 2.412 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.626 -19.050 1.067 1.00 0.00 N ATOM 1337 CA ASP A 85 -8.032 -19.239 0.732 1.00 0.00 C ATOM 1338 C ASP A 85 -8.540 -18.099 -0.146 1.00 0.00 C ATOM 1339 O ASP A 85 -8.298 -16.928 0.141 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.874 -19.332 2.006 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.352 -18.435 3.111 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -7.349 -18.809 3.755 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -8.945 -17.359 3.332 1.00 0.00 O ATOM 0 H ASP A 85 -6.419 -18.168 1.535 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.125 -20.171 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.905 -19.060 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.886 -20.364 2.355 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.244 -18.453 -1.217 1.00 0.00 N ATOM 1349 CA GLU A 86 -9.783 -17.459 -2.138 1.00 0.00 C ATOM 1350 C GLU A 86 -10.370 -16.274 -1.376 1.00 0.00 C ATOM 1351 O GLU A 86 -10.380 -15.148 -1.873 1.00 0.00 O ATOM 1352 CB GLU A 86 -10.856 -18.087 -3.030 1.00 0.00 C ATOM 1353 CG GLU A 86 -10.963 -17.440 -4.400 1.00 0.00 C ATOM 1354 CD GLU A 86 -12.285 -17.733 -5.083 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -13.330 -17.283 -4.568 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -12.275 -18.413 -6.130 1.00 0.00 O ATOM 0 H GLU A 86 -9.454 -19.419 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.966 -17.099 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.638 -19.148 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.821 -18.017 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.842 -16.361 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.147 -17.794 -5.030 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.857 -16.537 -0.168 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.446 -15.492 0.662 1.00 0.00 C ATOM 1365 C GLN A 87 -10.388 -14.487 1.105 1.00 0.00 C ATOM 1366 O GLN A 87 -10.625 -13.279 1.102 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.127 -16.107 1.886 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.332 -16.968 1.544 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.222 -17.229 2.743 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -14.671 -16.297 3.411 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -14.483 -18.500 3.022 1.00 0.00 N ATOM 0 H GLN A 87 -10.856 -17.464 0.258 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.192 -14.967 0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.401 -16.712 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.441 -15.307 2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.914 -16.478 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.990 -17.919 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.090 -19.241 2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.077 -18.736 3.817 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.220 -14.994 1.485 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.125 -14.141 1.930 1.00 0.00 C ATOM 1382 C ASP A 88 -7.708 -13.173 0.828 1.00 0.00 C ATOM 1383 O ASP A 88 -7.604 -11.967 1.053 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.929 -14.992 2.359 1.00 0.00 C ATOM 1385 CG ASP A 88 -6.024 -14.268 3.337 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.086 -13.022 3.392 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -5.252 -14.948 4.046 1.00 0.00 O ATOM 0 H ASP A 88 -9.008 -15.992 1.494 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.473 -13.561 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.288 -15.914 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.354 -15.275 1.478 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.469 -13.709 -0.364 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.059 -12.893 -1.501 1.00 0.00 C ATOM 1394 C TYR A 89 -7.991 -11.699 -1.678 1.00 0.00 C ATOM 1395 O TYR A 89 -7.596 -10.551 -1.471 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.041 -13.734 -2.778 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.079 -12.911 -4.046 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.924 -12.332 -4.556 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.270 -12.712 -4.733 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.954 -11.578 -5.714 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.310 -11.961 -5.892 1.00 0.00 C ATOM 1402 CZ TYR A 89 -7.149 -11.396 -6.378 1.00 0.00 C ATOM 1403 OH TYR A 89 -7.184 -10.646 -7.531 1.00 0.00 O ATOM 0 H TYR A 89 -7.552 -14.705 -0.568 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.054 -12.520 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.143 -14.352 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.895 -14.411 -2.769 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.986 -12.473 -4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.181 -13.152 -4.354 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.047 -11.134 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.244 -11.817 -6.414 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.101 -10.617 -7.875 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.232 -11.977 -2.064 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.223 -10.927 -2.268 1.00 0.00 C ATOM 1415 C VAL A 90 -10.048 -9.801 -1.255 1.00 0.00 C ATOM 1416 O VAL A 90 -10.154 -8.624 -1.597 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.657 -11.480 -2.162 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.674 -10.373 -2.393 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.863 -12.619 -3.148 1.00 0.00 C ATOM 0 H VAL A 90 -9.575 -12.921 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.066 -10.535 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.804 -11.871 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.681 -10.782 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.540 -9.593 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.531 -9.949 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.881 -12.997 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.698 -12.256 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.158 -13.421 -2.930 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.778 -10.172 -0.008 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.585 -9.193 1.055 1.00 0.00 C ATOM 1431 C ALA A 91 -8.278 -8.430 0.868 1.00 0.00 C ATOM 1432 O ALA A 91 -8.276 -7.205 0.745 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.609 -9.878 2.413 1.00 0.00 C ATOM 0 H ALA A 91 -9.688 -11.143 0.291 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.404 -8.475 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.464 -9.135 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.570 -10.372 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.810 -10.618 2.461 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.170 -9.162 0.848 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.855 -8.553 0.677 1.00 0.00 C ATOM 1441 C TRP A 92 -5.898 -7.455 -0.381 1.00 0.00 C ATOM 1442 O TRP A 92 -5.700 -6.279 -0.075 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.825 -9.614 0.287 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.146 -10.243 1.466 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.156 -11.565 1.808 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.358 -9.575 2.457 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.422 -11.759 2.953 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -2.921 -10.555 3.371 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -2.977 -8.247 2.661 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.124 -10.244 4.470 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.186 -7.940 3.753 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.766 -8.935 4.645 1.00 0.00 C ATOM 0 H TRP A 92 -7.155 -10.177 0.948 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.563 -8.106 1.627 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.318 -10.391 -0.297 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.072 -9.160 -0.357 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.666 -12.343 1.259 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.274 -12.655 3.417 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.295 -7.473 1.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -1.800 -11.009 5.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.887 -6.916 3.921 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.147 -8.664 5.488 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.156 -7.847 -1.624 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.225 -6.895 -2.725 1.00 0.00 C ATOM 1465 C ILE A 93 -7.029 -5.660 -2.335 1.00 0.00 C ATOM 1466 O ILE A 93 -6.609 -4.529 -2.582 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.857 -7.529 -3.979 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -5.978 -8.669 -4.498 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -7.061 -6.478 -5.059 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.598 -8.222 -4.927 1.00 0.00 C ATOM 0 H ILE A 93 -6.321 -8.817 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.200 -6.602 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.831 -7.938 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.880 -9.425 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.476 -9.145 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.508 -6.942 -5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.722 -5.696 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.099 -6.042 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.031 -9.082 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.686 -7.488 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.081 -7.773 -4.079 1.00 0.00 H new ATOM 1482 N SER A 94 -8.187 -5.883 -1.722 1.00 0.00 N ATOM 1483 CA SER A 94 -9.052 -4.788 -1.298 1.00 0.00 C ATOM 1484 C SER A 94 -8.334 -3.883 -0.302 1.00 0.00 C ATOM 1485 O SER A 94 -8.416 -2.658 -0.388 1.00 0.00 O ATOM 1486 CB SER A 94 -10.336 -5.337 -0.672 1.00 0.00 C ATOM 1487 OG SER A 94 -11.410 -4.427 -0.831 1.00 0.00 O ATOM 0 H SER A 94 -8.548 -6.813 -1.508 1.00 0.00 H new ATOM 0 HA SER A 94 -9.309 -4.199 -2.178 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.591 -6.290 -1.135 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.173 -5.531 0.388 1.00 0.00 H new ATOM 0 HG SER A 94 -12.219 -4.801 -0.424 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.628 -4.496 0.643 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.894 -3.747 1.655 1.00 0.00 C ATOM 1495 C VAL A 95 -5.693 -3.031 1.046 1.00 0.00 C ATOM 1496 O VAL A 95 -5.674 -1.804 0.943 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.408 -4.666 2.792 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.372 -3.911 4.112 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.295 -5.898 2.896 1.00 0.00 C ATOM 0 H VAL A 95 -7.549 -5.509 0.728 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.584 -3.009 2.064 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.394 -4.994 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.026 -4.577 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.692 -3.064 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.372 -3.551 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.938 -6.536 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.321 -5.592 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.263 -6.450 1.956 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.692 -3.806 0.644 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.485 -3.247 0.044 1.00 0.00 C ATOM 1511 C LEU A 96 -3.810 -1.998 -0.769 1.00 0.00 C ATOM 1512 O LEU A 96 -3.181 -0.953 -0.601 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.806 -4.288 -0.848 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.296 -5.545 -0.143 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.070 -6.666 -1.147 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -1.014 -5.245 0.621 1.00 0.00 C ATOM 0 H LEU A 96 -4.692 -4.823 0.722 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.804 -2.968 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.512 -4.591 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.965 -3.812 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.053 -5.871 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.707 -7.553 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.009 -6.899 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.332 -6.351 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.665 -6.151 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.250 -4.894 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.207 -4.475 1.367 1.00 0.00 H new ATOM 1528 N THR A 97 -4.798 -2.113 -1.651 1.00 0.00 N ATOM 1529 CA THR A 97 -5.208 -0.994 -2.490 1.00 0.00 C ATOM 1530 C THR A 97 -5.931 0.070 -1.672 1.00 0.00 C ATOM 1531 O THR A 97 -5.575 1.247 -1.715 1.00 0.00 O ATOM 1532 CB THR A 97 -6.128 -1.457 -3.635 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.751 -2.770 -4.066 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.057 -0.493 -4.810 1.00 0.00 C ATOM 0 H THR A 97 -5.329 -2.970 -1.803 1.00 0.00 H new ATOM 0 HA THR A 97 -4.299 -0.568 -2.914 1.00 0.00 H new ATOM 0 HB THR A 97 -7.152 -1.477 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.308 -3.436 -3.612 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.715 -0.841 -5.606 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.372 0.499 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.033 -0.446 -5.180 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.947 -0.352 -0.927 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.721 0.566 -0.099 1.00 0.00 C ATOM 1544 C ASN A 98 -6.801 1.491 0.693 1.00 0.00 C ATOM 1545 O ASN A 98 -6.738 2.692 0.434 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.624 -0.215 0.858 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.911 -0.668 0.197 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.278 -0.181 -0.872 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.603 -1.607 0.833 1.00 0.00 N ATOM 0 H ASN A 98 -7.254 -1.324 -0.879 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.341 1.175 -0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.085 -1.085 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.861 0.409 1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.477 -1.953 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.260 -1.982 1.717 1.00 0.00 H new ATOM 1556 N SER A 99 -6.088 0.921 1.660 1.00 0.00 N ATOM 1557 CA SER A 99 -5.173 1.694 2.492 1.00 0.00 C ATOM 1558 C SER A 99 -4.469 2.770 1.671 1.00 0.00 C ATOM 1559 O SER A 99 -4.376 3.925 2.087 1.00 0.00 O ATOM 1560 CB SER A 99 -4.139 0.773 3.141 1.00 0.00 C ATOM 1561 OG SER A 99 -3.626 1.341 4.334 1.00 0.00 O ATOM 0 H SER A 99 -6.127 -0.073 1.886 1.00 0.00 H new ATOM 0 HA SER A 99 -5.756 2.182 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.595 -0.192 3.361 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.323 0.588 2.442 1.00 0.00 H new ATOM 0 HG SER A 99 -3.093 0.672 4.812 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.973 2.382 0.501 1.00 0.00 N ATOM 1568 CA LYS A 100 -3.277 3.311 -0.382 1.00 0.00 C ATOM 1569 C LYS A 100 -4.041 4.626 -0.498 1.00 0.00 C ATOM 1570 O LYS A 100 -3.555 5.675 -0.077 1.00 0.00 O ATOM 1571 CB LYS A 100 -3.096 2.690 -1.769 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.851 3.173 -2.493 1.00 0.00 C ATOM 1573 CD LYS A 100 -2.017 3.092 -4.001 1.00 0.00 C ATOM 1574 CE LYS A 100 -2.670 4.347 -4.559 1.00 0.00 C ATOM 1575 NZ LYS A 100 -2.638 4.375 -6.047 1.00 0.00 N ATOM 0 H LYS A 100 -4.040 1.430 0.142 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.297 3.517 0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.051 1.606 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.971 2.918 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.637 4.202 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.995 2.572 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.042 2.949 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.623 2.222 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.704 4.401 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.159 5.227 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.093 5.246 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.651 4.349 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.148 3.549 -6.421 1.00 0.00 H new ATOM 1589 N GLU A 101 -5.239 4.561 -1.070 1.00 0.00 N ATOM 1590 CA GLU A 101 -6.069 5.748 -1.240 1.00 0.00 C ATOM 1591 C GLU A 101 -6.445 6.347 0.112 1.00 0.00 C ATOM 1592 O GLU A 101 -6.303 7.550 0.329 1.00 0.00 O ATOM 1593 CB GLU A 101 -7.335 5.403 -2.028 1.00 0.00 C ATOM 1594 CG GLU A 101 -7.074 5.082 -3.490 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.746 6.316 -4.308 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -7.388 7.364 -4.087 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -5.846 6.233 -5.170 1.00 0.00 O ATOM 0 H GLU A 101 -5.656 3.700 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.493 6.487 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.823 4.549 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.030 6.240 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.249 4.374 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.951 4.593 -3.913 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.925 5.499 1.016 1.00 0.00 N ATOM 1605 CA GLU A 102 -7.323 5.945 2.346 1.00 0.00 C ATOM 1606 C GLU A 102 -6.177 6.675 3.040 1.00 0.00 C ATOM 1607 O GLU A 102 -6.385 7.388 4.021 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.771 4.753 3.195 1.00 0.00 C ATOM 1609 CG GLU A 102 -9.174 4.268 2.870 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.848 3.599 4.052 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.598 4.027 5.199 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.625 2.647 3.831 1.00 0.00 O ATOM 0 H GLU A 102 -7.048 4.500 0.852 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.158 6.637 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.069 3.931 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.726 5.030 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.779 5.113 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.128 3.566 2.037 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.966 6.492 2.522 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.788 7.134 3.090 1.00 0.00 C ATOM 1621 C ALA A 103 -3.485 8.451 2.383 1.00 0.00 C ATOM 1622 O ALA A 103 -3.018 9.407 3.003 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.588 6.202 3.009 1.00 0.00 C ATOM 0 H ALA A 103 -4.776 5.904 1.710 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.995 7.353 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.715 6.695 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.798 5.289 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.390 5.954 1.966 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.754 8.494 1.083 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.510 9.694 0.291 1.00 0.00 C ATOM 1631 C LEU A 104 -4.613 10.725 0.510 1.00 0.00 C ATOM 1632 O LEU A 104 -4.341 11.902 0.747 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.416 9.339 -1.194 1.00 0.00 C ATOM 1634 CG LEU A 104 -2.037 8.907 -1.695 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -2.152 8.216 -3.045 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -1.103 10.105 -1.784 1.00 0.00 C ATOM 0 H LEU A 104 -4.141 7.712 0.555 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.564 10.127 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.123 8.536 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.737 10.204 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.618 8.197 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.161 7.916 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.786 7.334 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.592 8.902 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.126 9.779 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.517 10.839 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.996 10.557 -0.798 1.00 0.00 H new ATOM 1648 N THR A 105 -5.861 10.274 0.430 1.00 0.00 N ATOM 1649 CA THR A 105 -7.006 11.156 0.621 1.00 0.00 C ATOM 1650 C THR A 105 -6.872 11.960 1.909 1.00 0.00 C ATOM 1651 O THR A 105 -7.140 13.161 1.932 1.00 0.00 O ATOM 1652 CB THR A 105 -8.326 10.363 0.659 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.434 11.245 0.446 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.489 9.648 1.992 1.00 0.00 C ATOM 0 H THR A 105 -6.105 9.303 0.234 1.00 0.00 H new ATOM 0 HA THR A 105 -7.025 11.838 -0.229 1.00 0.00 H new ATOM 0 HB THR A 105 -8.299 9.617 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.269 10.733 0.470 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.428 9.095 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.660 8.956 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.496 10.380 2.799 1.00 0.00 H new