USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 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 58 CYS SG : rot 89:sc= -1.27 USER MOD Set 1.2: A 74 SER OG : rot -140:sc= -0.734 USER MOD Set 1.3: A 75 HIS : no HD1:sc= -0.208 K(o=-2.2,f=-3) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0794 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0195) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -112:sc= 0.116 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.93) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 177:sc= -0.906 USER MOD Single : A 33 SER OG : rot 180:sc= -0.563 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -0.471 (180deg=-1.45!) USER MOD Single : A 36 ASN : amide:sc= -1.87 K(o=-1.9,f=-1.3) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.645) USER MOD Single : A 54 ASN : amide:sc= -5.61! C(o=-5.6!,f=-13!) USER MOD Single : A 57 THR OG1 : rot -46:sc= 0.301 USER MOD Single : A 59 GLN : amide:sc= -0.0996 K(o=-0.1,f=-2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.699 K(o=0.7,f=-0.39) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.0157 (180deg=-0.845) USER MOD Single : A 69 SER OG : rot 60:sc= 0.273 USER MOD Single : A 76 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.92) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.0156 X(o=0.016,f=-0.21) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0385 K(o=-0.038,f=-0.78) USER MOD Single : A 89 TYR OH : rot 30:sc= -1.07 USER MOD Single : A 94 SER OG : rot 178:sc= 0.945 USER MOD Single : A 97 THR OG1 : rot 101:sc= 1.29 USER MOD Single : A 98 ASN : amide:sc= -2.64! C(o=-2.6!,f=-4.8!) USER MOD Single : A 99 SER OG : rot 107:sc= -0.651 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 -13.718 -3.054 2.852 1.00 0.00 N ATOM 67 CA TYR A 8 -13.033 -4.151 3.525 1.00 0.00 C ATOM 68 C TYR A 8 -12.157 -3.631 4.661 1.00 0.00 C ATOM 69 O TYR A 8 -12.151 -4.185 5.759 1.00 0.00 O ATOM 70 CB TYR A 8 -12.180 -4.936 2.527 1.00 0.00 C ATOM 71 CG TYR A 8 -12.965 -5.951 1.728 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.991 -5.554 0.879 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.680 -7.308 1.820 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.712 -6.478 0.148 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.394 -8.239 1.091 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.409 -7.820 0.256 1.00 0.00 C ATOM 77 OH TYR A 8 -15.123 -8.743 -0.472 1.00 0.00 O ATOM 0 HA TYR A 8 -13.789 -4.813 3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.702 -4.237 1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.383 -5.448 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.229 -4.504 0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.886 -7.640 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.508 -6.152 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.159 -9.290 1.174 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.784 -9.643 -0.282 1.00 0.00 H new ATOM 87 N GLY A 9 -11.417 -2.561 4.387 1.00 0.00 N ATOM 88 CA GLY A 9 -10.548 -1.982 5.394 1.00 0.00 C ATOM 89 C GLY A 9 -9.207 -1.558 4.829 1.00 0.00 C ATOM 90 O GLY A 9 -8.763 -2.082 3.807 1.00 0.00 O ATOM 0 H GLY A 9 -11.404 -2.085 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.040 -1.118 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.389 -2.707 6.193 1.00 0.00 H new ATOM 94 N SER A 10 -8.560 -0.606 5.494 1.00 0.00 N ATOM 95 CA SER A 10 -7.264 -0.108 5.048 1.00 0.00 C ATOM 96 C SER A 10 -6.129 -0.940 5.640 1.00 0.00 C ATOM 97 O SER A 10 -5.210 -1.347 4.931 1.00 0.00 O ATOM 98 CB SER A 10 -7.095 1.360 5.442 1.00 0.00 C ATOM 99 OG SER A 10 -7.115 1.515 6.851 1.00 0.00 O ATOM 0 H SER A 10 -8.912 -0.164 6.343 1.00 0.00 H new ATOM 0 HA SER A 10 -7.224 -0.192 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.154 1.741 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.893 1.954 4.996 1.00 0.00 H new ATOM 0 HG SER A 10 -7.003 2.462 7.078 1.00 0.00 H new ATOM 105 N GLU A 11 -6.203 -1.186 6.944 1.00 0.00 N ATOM 106 CA GLU A 11 -5.182 -1.968 7.632 1.00 0.00 C ATOM 107 C GLU A 11 -5.705 -3.358 7.981 1.00 0.00 C ATOM 108 O GLU A 11 -6.858 -3.518 8.382 1.00 0.00 O ATOM 109 CB GLU A 11 -4.728 -1.248 8.903 1.00 0.00 C ATOM 110 CG GLU A 11 -5.791 -1.198 9.988 1.00 0.00 C ATOM 111 CD GLU A 11 -6.880 -0.185 9.691 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.607 1.029 9.797 1.00 0.00 O ATOM 113 OE2 GLU A 11 -8.005 -0.608 9.352 1.00 0.00 O ATOM 0 H GLU A 11 -6.958 -0.856 7.545 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.330 -2.077 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.843 -1.747 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.433 -0.230 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.239 -2.186 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.321 -0.953 10.941 1.00 0.00 H new ATOM 120 N LYS A 12 -4.849 -4.362 7.825 1.00 0.00 N ATOM 121 CA LYS A 12 -5.221 -5.740 8.123 1.00 0.00 C ATOM 122 C LYS A 12 -3.987 -6.586 8.417 1.00 0.00 C ATOM 123 O LYS A 12 -3.109 -6.737 7.567 1.00 0.00 O ATOM 124 CB LYS A 12 -6.000 -6.344 6.953 1.00 0.00 C ATOM 125 CG LYS A 12 -6.145 -7.854 7.033 1.00 0.00 C ATOM 126 CD LYS A 12 -6.645 -8.437 5.722 1.00 0.00 C ATOM 127 CE LYS A 12 -6.226 -9.890 5.563 1.00 0.00 C ATOM 128 NZ LYS A 12 -6.793 -10.752 6.637 1.00 0.00 N ATOM 0 H LYS A 12 -3.891 -4.247 7.493 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.855 -5.735 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.992 -5.894 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.498 -6.085 6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.183 -8.300 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.837 -8.112 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.732 -8.364 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.255 -7.851 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.554 -10.258 4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.138 -9.958 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.555 -11.746 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.394 -10.470 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.827 -10.642 6.661 1.00 0.00 H new ATOM 142 N LYS A 13 -3.926 -7.137 9.624 1.00 0.00 N ATOM 143 CA LYS A 13 -2.801 -7.971 10.029 1.00 0.00 C ATOM 144 C LYS A 13 -3.152 -9.451 9.916 1.00 0.00 C ATOM 145 O LYS A 13 -4.166 -9.901 10.447 1.00 0.00 O ATOM 146 CB LYS A 13 -2.388 -7.643 11.466 1.00 0.00 C ATOM 147 CG LYS A 13 -1.215 -8.469 11.966 1.00 0.00 C ATOM 148 CD LYS A 13 -0.880 -8.144 13.412 1.00 0.00 C ATOM 149 CE LYS A 13 -1.897 -8.747 14.369 1.00 0.00 C ATOM 150 NZ LYS A 13 -1.660 -8.314 15.774 1.00 0.00 N ATOM 0 H LYS A 13 -4.643 -7.021 10.340 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.966 -7.761 9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.130 -6.586 11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.241 -7.802 12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.451 -9.529 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.343 -8.282 11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.114 -8.522 13.650 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.850 -7.063 13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.902 -8.455 14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.850 -9.834 14.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.373 -8.746 16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.711 -8.615 16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.730 -7.278 15.834 1.00 0.00 H new ATOM 164 N GLY A 14 -2.304 -10.204 9.221 1.00 0.00 N ATOM 165 CA GLY A 14 -2.542 -11.626 9.052 1.00 0.00 C ATOM 166 C GLY A 14 -1.309 -12.367 8.574 1.00 0.00 C ATOM 167 O GLY A 14 -0.191 -12.056 8.985 1.00 0.00 O ATOM 0 H GLY A 14 -1.457 -9.855 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.873 -12.051 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.351 -11.773 8.337 1.00 0.00 H new ATOM 171 N TYR A 15 -1.512 -13.351 7.705 1.00 0.00 N ATOM 172 CA TYR A 15 -0.409 -14.141 7.174 1.00 0.00 C ATOM 173 C TYR A 15 -0.525 -14.291 5.660 1.00 0.00 C ATOM 174 O TYR A 15 -1.609 -14.152 5.091 1.00 0.00 O ATOM 175 CB TYR A 15 -0.378 -15.521 7.833 1.00 0.00 C ATOM 176 CG TYR A 15 0.285 -15.528 9.192 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.386 -15.062 10.316 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.582 -16.000 9.352 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.216 -15.066 11.560 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.191 -16.009 10.592 1.00 0.00 C ATOM 181 CZ TYR A 15 1.504 -15.541 11.692 1.00 0.00 C ATOM 182 OH TYR A 15 2.108 -15.547 12.929 1.00 0.00 O ATOM 0 H TYR A 15 -2.431 -13.620 7.354 1.00 0.00 H new ATOM 0 HA TYR A 15 0.520 -13.617 7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.399 -15.889 7.934 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.148 -16.216 7.178 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.395 -14.690 10.216 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.123 -16.366 8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.319 -14.699 12.424 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.199 -16.380 10.699 1.00 0.00 H new ATOM 0 HH TYR A 15 3.013 -15.914 12.849 1.00 0.00 H new ATOM 192 N LEU A 16 0.600 -14.577 5.012 1.00 0.00 N ATOM 193 CA LEU A 16 0.626 -14.747 3.564 1.00 0.00 C ATOM 194 C LEU A 16 1.788 -15.641 3.142 1.00 0.00 C ATOM 195 O LEU A 16 2.691 -15.917 3.932 1.00 0.00 O ATOM 196 CB LEU A 16 0.737 -13.387 2.873 1.00 0.00 C ATOM 197 CG LEU A 16 -0.584 -12.697 2.533 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.337 -11.273 2.059 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.343 -13.488 1.478 1.00 0.00 C ATOM 0 H LEU A 16 1.505 -14.696 5.467 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.305 -15.226 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.316 -12.723 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.304 -13.516 1.951 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.193 -12.657 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.289 -10.798 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.163 -10.709 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.292 -11.290 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.281 -12.982 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.739 -13.561 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.554 -14.489 1.855 1.00 0.00 H new ATOM 211 N LEU A 17 1.760 -16.088 1.891 1.00 0.00 N ATOM 212 CA LEU A 17 2.812 -16.949 1.363 1.00 0.00 C ATOM 213 C LEU A 17 3.755 -16.163 0.457 1.00 0.00 C ATOM 214 O LEU A 17 3.386 -15.122 -0.088 1.00 0.00 O ATOM 215 CB LEU A 17 2.200 -18.118 0.589 1.00 0.00 C ATOM 216 CG LEU A 17 1.430 -19.144 1.422 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.678 -20.108 0.518 1.00 0.00 C ATOM 218 CD2 LEU A 17 2.376 -19.902 2.343 1.00 0.00 C ATOM 0 H LEU A 17 1.020 -15.868 1.224 1.00 0.00 H new ATOM 0 HA LEU A 17 3.386 -17.338 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.527 -17.714 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.000 -18.636 0.060 1.00 0.00 H new ATOM 0 HG LEU A 17 0.704 -18.613 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.136 -20.831 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.028 -19.552 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.386 -20.633 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.811 -20.628 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.126 -20.422 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.870 -19.200 3.015 1.00 0.00 H new ATOM 230 N LYS A 18 4.973 -16.669 0.298 1.00 0.00 N ATOM 231 CA LYS A 18 5.969 -16.018 -0.544 1.00 0.00 C ATOM 232 C LYS A 18 6.695 -17.038 -1.416 1.00 0.00 C ATOM 233 O LYS A 18 6.973 -18.155 -0.982 1.00 0.00 O ATOM 234 CB LYS A 18 6.979 -15.258 0.319 1.00 0.00 C ATOM 235 CG LYS A 18 6.582 -13.819 0.595 1.00 0.00 C ATOM 236 CD LYS A 18 7.681 -13.067 1.326 1.00 0.00 C ATOM 237 CE LYS A 18 7.657 -11.583 0.995 1.00 0.00 C ATOM 238 NZ LYS A 18 9.015 -10.976 1.068 1.00 0.00 N ATOM 0 H LYS A 18 5.294 -17.529 0.742 1.00 0.00 H new ATOM 0 HA LYS A 18 5.453 -15.312 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.100 -15.781 1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.949 -15.270 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.359 -13.315 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.669 -13.800 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.563 -13.203 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.651 -13.485 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.249 -11.441 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.991 -11.067 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.057 -10.315 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.724 -11.726 1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.214 -10.463 0.185 1.00 0.00 H new ATOM 252 N LYS A 19 7.000 -16.645 -2.648 1.00 0.00 N ATOM 253 CA LYS A 19 7.696 -17.523 -3.581 1.00 0.00 C ATOM 254 C LYS A 19 9.206 -17.319 -3.497 1.00 0.00 C ATOM 255 O LYS A 19 9.715 -16.243 -3.809 1.00 0.00 O ATOM 256 CB LYS A 19 7.216 -17.266 -5.011 1.00 0.00 C ATOM 257 CG LYS A 19 7.419 -18.448 -5.943 1.00 0.00 C ATOM 258 CD LYS A 19 7.349 -18.027 -7.401 1.00 0.00 C ATOM 259 CE LYS A 19 5.995 -17.425 -7.743 1.00 0.00 C ATOM 260 NZ LYS A 19 5.857 -17.163 -9.203 1.00 0.00 N ATOM 0 H LYS A 19 6.776 -15.724 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 19 7.470 -18.554 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.157 -17.009 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.745 -16.402 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.386 -18.909 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.659 -19.204 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.134 -17.300 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.536 -18.890 -8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.204 -18.102 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.862 -16.493 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.921 -16.753 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.596 -16.497 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.958 -18.056 -9.727 1.00 0.00 H new ATOM 385 N TRP A 27 6.718 -22.034 -2.575 1.00 0.00 N ATOM 386 CA TRP A 27 6.001 -21.102 -1.713 1.00 0.00 C ATOM 387 C TRP A 27 6.279 -21.396 -0.243 1.00 0.00 C ATOM 388 O TRP A 27 6.331 -22.555 0.167 1.00 0.00 O ATOM 389 CB TRP A 27 4.498 -21.175 -1.985 1.00 0.00 C ATOM 390 CG TRP A 27 4.111 -20.639 -3.330 1.00 0.00 C ATOM 391 CD1 TRP A 27 3.938 -21.356 -4.479 1.00 0.00 C ATOM 392 CD2 TRP A 27 3.850 -19.271 -3.664 1.00 0.00 C ATOM 393 NE1 TRP A 27 3.586 -20.517 -5.508 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.525 -19.233 -5.034 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.859 -18.076 -2.940 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.212 -18.046 -5.692 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.549 -16.899 -3.594 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.228 -16.891 -4.958 1.00 0.00 C ATOM 0 HA TRP A 27 6.354 -20.095 -1.936 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.172 -22.212 -1.908 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.969 -20.616 -1.213 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.060 -22.426 -4.566 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.400 -20.803 -6.469 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.104 -18.072 -1.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.966 -18.037 -6.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.554 -15.969 -3.045 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.988 -15.955 -5.440 1.00 0.00 H new ATOM 409 N GLN A 28 6.458 -20.341 0.545 1.00 0.00 N ATOM 410 CA GLN A 28 6.731 -20.488 1.969 1.00 0.00 C ATOM 411 C GLN A 28 5.896 -19.510 2.788 1.00 0.00 C ATOM 412 O GLN A 28 5.757 -18.342 2.425 1.00 0.00 O ATOM 413 CB GLN A 28 8.219 -20.267 2.250 1.00 0.00 C ATOM 414 CG GLN A 28 9.136 -21.044 1.320 1.00 0.00 C ATOM 415 CD GLN A 28 10.455 -21.408 1.971 1.00 0.00 C ATOM 416 OE1 GLN A 28 10.503 -21.757 3.151 1.00 0.00 O ATOM 417 NE2 GLN A 28 11.536 -21.329 1.204 1.00 0.00 N ATOM 0 H GLN A 28 6.419 -19.375 0.221 1.00 0.00 H new ATOM 0 HA GLN A 28 6.460 -21.502 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.443 -19.204 2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.432 -20.554 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.632 -21.954 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.328 -20.451 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.451 -21.035 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.452 -21.562 1.588 1.00 0.00 H new ATOM 426 N ARG A 29 5.341 -19.995 3.894 1.00 0.00 N ATOM 427 CA ARG A 29 4.518 -19.163 4.764 1.00 0.00 C ATOM 428 C ARG A 29 5.332 -18.010 5.344 1.00 0.00 C ATOM 429 O ARG A 29 6.491 -18.184 5.722 1.00 0.00 O ATOM 430 CB ARG A 29 3.925 -20.003 5.896 1.00 0.00 C ATOM 431 CG ARG A 29 2.800 -19.308 6.646 1.00 0.00 C ATOM 432 CD ARG A 29 2.687 -19.815 8.075 1.00 0.00 C ATOM 433 NE ARG A 29 1.502 -19.290 8.750 1.00 0.00 N ATOM 434 CZ ARG A 29 0.943 -19.867 9.808 1.00 0.00 C ATOM 435 NH1 ARG A 29 1.457 -20.981 10.309 1.00 0.00 N ATOM 436 NH2 ARG A 29 -0.134 -19.329 10.366 1.00 0.00 N ATOM 0 H ARG A 29 5.446 -20.959 4.209 1.00 0.00 H new ATOM 0 HA ARG A 29 3.707 -18.747 4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.551 -20.940 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.717 -20.258 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.976 -18.232 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.857 -19.473 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.649 -20.904 8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.579 -19.529 8.633 1.00 0.00 H new ATOM 0 HE ARG A 29 1.081 -18.434 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.284 -21.398 9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.025 -21.421 11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.533 -18.472 9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.563 -19.772 11.178 1.00 0.00 H new ATOM 450 N ARG A 30 4.718 -16.833 5.409 1.00 0.00 N ATOM 451 CA ARG A 30 5.386 -15.652 5.941 1.00 0.00 C ATOM 452 C ARG A 30 4.382 -14.707 6.594 1.00 0.00 C ATOM 453 O ARG A 30 3.387 -14.320 5.980 1.00 0.00 O ATOM 454 CB ARG A 30 6.141 -14.922 4.828 1.00 0.00 C ATOM 455 CG ARG A 30 7.321 -14.105 5.327 1.00 0.00 C ATOM 456 CD ARG A 30 8.580 -14.952 5.431 1.00 0.00 C ATOM 457 NE ARG A 30 9.225 -15.135 4.133 1.00 0.00 N ATOM 458 CZ ARG A 30 10.479 -15.550 3.988 1.00 0.00 C ATOM 459 NH1 ARG A 30 11.218 -15.823 5.054 1.00 0.00 N ATOM 460 NH2 ARG A 30 10.995 -15.692 2.774 1.00 0.00 N ATOM 0 H ARG A 30 3.759 -16.672 5.100 1.00 0.00 H new ATOM 0 HA ARG A 30 6.097 -15.979 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.497 -15.653 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.449 -14.263 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.498 -13.269 4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.085 -13.681 6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.280 -14.479 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.328 -15.926 5.851 1.00 0.00 H new ATOM 0 HE ARG A 30 8.683 -14.933 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.824 -15.715 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.180 -16.141 4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.429 -15.483 1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.958 -16.011 2.663 1.00 0.00 H new ATOM 474 N LYS A 31 4.648 -14.338 7.842 1.00 0.00 N ATOM 475 CA LYS A 31 3.769 -13.438 8.579 1.00 0.00 C ATOM 476 C LYS A 31 3.765 -12.047 7.952 1.00 0.00 C ATOM 477 O LYS A 31 4.796 -11.374 7.904 1.00 0.00 O ATOM 478 CB LYS A 31 4.209 -13.348 10.042 1.00 0.00 C ATOM 479 CG LYS A 31 3.094 -12.936 10.988 1.00 0.00 C ATOM 480 CD LYS A 31 2.846 -11.437 10.938 1.00 0.00 C ATOM 481 CE LYS A 31 1.915 -10.990 12.055 1.00 0.00 C ATOM 482 NZ LYS A 31 2.647 -10.768 13.332 1.00 0.00 N ATOM 0 H LYS A 31 5.467 -14.649 8.365 1.00 0.00 H new ATOM 0 HA LYS A 31 2.757 -13.841 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.601 -14.316 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.027 -12.632 10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.178 -13.466 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.352 -13.229 12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.795 -10.907 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.414 -11.170 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.411 -10.070 11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.141 -11.743 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.977 -10.465 14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.107 -11.653 13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.368 -10.031 13.195 1.00 0.00 H new ATOM 496 N CYS A 32 2.601 -11.623 7.473 1.00 0.00 N ATOM 497 CA CYS A 32 2.463 -10.311 6.850 1.00 0.00 C ATOM 498 C CYS A 32 1.558 -9.407 7.680 1.00 0.00 C ATOM 499 O CYS A 32 0.768 -9.882 8.495 1.00 0.00 O ATOM 500 CB CYS A 32 1.903 -10.453 5.434 1.00 0.00 C ATOM 501 SG CYS A 32 3.138 -10.905 4.193 1.00 0.00 S ATOM 0 H CYS A 32 1.739 -12.168 7.504 1.00 0.00 H new ATOM 0 HA CYS A 32 3.452 -9.855 6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.117 -11.208 5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.439 -9.511 5.142 1.00 0.00 H new ATOM 0 HG CYS A 32 2.557 -11.065 3.041 1.00 0.00 H new ATOM 507 N SER A 33 1.680 -8.101 7.467 1.00 0.00 N ATOM 508 CA SER A 33 0.876 -7.129 8.200 1.00 0.00 C ATOM 509 C SER A 33 0.784 -5.813 7.434 1.00 0.00 C ATOM 510 O SER A 33 1.764 -5.352 6.848 1.00 0.00 O ATOM 511 CB SER A 33 1.473 -6.884 9.587 1.00 0.00 C ATOM 512 OG SER A 33 2.128 -8.043 10.072 1.00 0.00 O ATOM 0 H SER A 33 2.327 -7.691 6.793 1.00 0.00 H new ATOM 0 HA SER A 33 -0.129 -7.536 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.180 -6.055 9.541 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.684 -6.592 10.280 1.00 0.00 H new ATOM 0 HG SER A 33 2.502 -7.860 10.959 1.00 0.00 H new ATOM 518 N VAL A 34 -0.401 -5.211 7.443 1.00 0.00 N ATOM 519 CA VAL A 34 -0.623 -3.948 6.750 1.00 0.00 C ATOM 520 C VAL A 34 -1.361 -2.955 7.642 1.00 0.00 C ATOM 521 O VAL A 34 -2.426 -3.258 8.179 1.00 0.00 O ATOM 522 CB VAL A 34 -1.428 -4.152 5.453 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.083 -2.850 5.020 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.532 -4.699 4.352 1.00 0.00 C ATOM 0 H VAL A 34 -1.223 -5.578 7.923 1.00 0.00 H new ATOM 0 HA VAL A 34 0.359 -3.548 6.499 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.216 -4.880 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.647 -3.014 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.757 -2.504 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.315 -2.097 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.116 -4.837 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.278 -3.996 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.115 -5.656 4.664 1.00 0.00 H new ATOM 534 N LYS A 35 -0.787 -1.766 7.795 1.00 0.00 N ATOM 535 CA LYS A 35 -1.389 -0.726 8.620 1.00 0.00 C ATOM 536 C LYS A 35 -0.765 0.634 8.323 1.00 0.00 C ATOM 537 O LYS A 35 0.454 0.757 8.211 1.00 0.00 O ATOM 538 CB LYS A 35 -1.222 -1.062 10.104 1.00 0.00 C ATOM 539 CG LYS A 35 -1.653 0.059 11.034 1.00 0.00 C ATOM 540 CD LYS A 35 -3.122 -0.058 11.404 1.00 0.00 C ATOM 541 CE LYS A 35 -3.407 0.569 12.760 1.00 0.00 C ATOM 542 NZ LYS A 35 -2.460 0.088 13.804 1.00 0.00 N ATOM 0 H LYS A 35 0.095 -1.499 7.358 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.452 -0.679 8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.802 -1.956 10.333 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.177 -1.302 10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.046 0.036 11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.473 1.021 10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.730 0.429 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.412 -1.109 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.339 1.654 12.680 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.428 0.335 13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.956 0.014 14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.090 -0.846 13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.671 0.760 13.893 1.00 0.00 H new ATOM 556 N ASN A 36 -1.610 1.652 8.197 1.00 0.00 N ATOM 557 CA ASN A 36 -1.140 3.004 7.913 1.00 0.00 C ATOM 558 C ASN A 36 -0.476 3.072 6.541 1.00 0.00 C ATOM 559 O ASN A 36 0.388 3.914 6.300 1.00 0.00 O ATOM 560 CB ASN A 36 -0.156 3.461 8.992 1.00 0.00 C ATOM 561 CG ASN A 36 -0.774 3.459 10.377 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.815 4.075 10.605 1.00 0.00 O ATOM 563 ND2 ASN A 36 -0.132 2.765 11.310 1.00 0.00 N ATOM 0 H ASN A 36 -2.622 1.567 8.287 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.003 3.670 7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.716 2.807 8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.197 4.465 8.756 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.499 2.728 12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.728 2.269 11.076 1.00 0.00 H new ATOM 570 N GLY A 37 -0.888 2.181 5.645 1.00 0.00 N ATOM 571 CA GLY A 37 -0.324 2.157 4.308 1.00 0.00 C ATOM 572 C GLY A 37 1.075 1.574 4.280 1.00 0.00 C ATOM 573 O GLY A 37 1.871 1.896 3.397 1.00 0.00 O ATOM 0 H GLY A 37 -1.603 1.475 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.971 1.572 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.300 3.171 3.909 1.00 0.00 H new ATOM 577 N ILE A 38 1.377 0.717 5.249 1.00 0.00 N ATOM 578 CA ILE A 38 2.690 0.089 5.331 1.00 0.00 C ATOM 579 C ILE A 38 2.568 -1.424 5.476 1.00 0.00 C ATOM 580 O ILE A 38 1.821 -1.920 6.321 1.00 0.00 O ATOM 581 CB ILE A 38 3.506 0.643 6.515 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.734 2.146 6.347 1.00 0.00 C ATOM 583 CG2 ILE A 38 4.833 -0.091 6.632 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.413 2.512 5.046 1.00 0.00 C ATOM 0 H ILE A 38 0.731 0.441 5.988 1.00 0.00 H new ATOM 0 HA ILE A 38 3.210 0.322 4.401 1.00 0.00 H new ATOM 0 HB ILE A 38 2.942 0.482 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.774 2.660 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.339 2.509 7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.398 0.311 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.648 -1.153 6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.405 0.042 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.543 3.593 4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.388 2.027 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.799 2.180 4.209 1.00 0.00 H new ATOM 596 N LEU A 39 3.307 -2.153 4.647 1.00 0.00 N ATOM 597 CA LEU A 39 3.284 -3.611 4.683 1.00 0.00 C ATOM 598 C LEU A 39 4.553 -4.160 5.327 1.00 0.00 C ATOM 599 O LEU A 39 5.626 -4.143 4.723 1.00 0.00 O ATOM 600 CB LEU A 39 3.131 -4.174 3.269 1.00 0.00 C ATOM 601 CG LEU A 39 3.369 -5.676 3.115 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.256 -6.464 3.789 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.475 -6.051 1.644 1.00 0.00 C ATOM 0 H LEU A 39 3.929 -1.758 3.942 1.00 0.00 H new ATOM 0 HA LEU A 39 2.430 -3.921 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.125 -3.948 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.824 -3.648 2.613 1.00 0.00 H new ATOM 0 HG LEU A 39 4.311 -5.927 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.442 -7.531 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.227 -6.218 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.300 -6.209 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.644 -7.124 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.549 -5.785 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.307 -5.513 1.190 1.00 0.00 H new ATOM 615 N THR A 40 4.423 -4.650 6.556 1.00 0.00 N ATOM 616 CA THR A 40 5.559 -5.205 7.282 1.00 0.00 C ATOM 617 C THR A 40 5.647 -6.715 7.091 1.00 0.00 C ATOM 618 O THR A 40 4.636 -7.416 7.135 1.00 0.00 O ATOM 619 CB THR A 40 5.470 -4.893 8.787 1.00 0.00 C ATOM 620 OG1 THR A 40 5.262 -3.491 8.986 1.00 0.00 O ATOM 621 CG2 THR A 40 6.739 -5.329 9.506 1.00 0.00 C ATOM 0 H THR A 40 3.542 -4.674 7.070 1.00 0.00 H new ATOM 0 HA THR A 40 6.455 -4.737 6.875 1.00 0.00 H new ATOM 0 HB THR A 40 4.627 -5.447 9.201 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.205 -3.302 9.946 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.653 -5.098 10.568 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.879 -6.402 9.378 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.595 -4.799 9.088 1.00 0.00 H new ATOM 629 N ILE A 41 6.862 -7.210 6.881 1.00 0.00 N ATOM 630 CA ILE A 41 7.082 -8.638 6.687 1.00 0.00 C ATOM 631 C ILE A 41 8.188 -9.154 7.601 1.00 0.00 C ATOM 632 O ILE A 41 9.241 -8.529 7.732 1.00 0.00 O ATOM 633 CB ILE A 41 7.449 -8.957 5.225 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.389 -8.394 4.276 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.596 -10.459 5.032 1.00 0.00 C ATOM 636 CD1 ILE A 41 6.914 -8.105 2.887 1.00 0.00 C ATOM 0 H ILE A 41 7.709 -6.643 6.841 1.00 0.00 H new ATOM 0 HA ILE A 41 6.146 -9.138 6.936 1.00 0.00 H new ATOM 0 HB ILE A 41 8.404 -8.485 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.564 -9.103 4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.984 -7.476 4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.855 -10.669 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.383 -10.835 5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.655 -10.951 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.109 -7.709 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.719 -7.373 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.293 -9.025 2.443 1.00 0.00 H new ATOM 648 N SER A 42 7.943 -10.299 8.230 1.00 0.00 N ATOM 649 CA SER A 42 8.917 -10.899 9.133 1.00 0.00 C ATOM 650 C SER A 42 9.640 -12.061 8.459 1.00 0.00 C ATOM 651 O SER A 42 9.072 -13.137 8.274 1.00 0.00 O ATOM 652 CB SER A 42 8.229 -11.384 10.411 1.00 0.00 C ATOM 653 OG SER A 42 9.155 -11.499 11.477 1.00 0.00 O ATOM 0 H SER A 42 7.078 -10.830 8.130 1.00 0.00 H new ATOM 0 HA SER A 42 9.653 -10.137 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.436 -10.689 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.757 -12.350 10.230 1.00 0.00 H new ATOM 0 HG SER A 42 8.690 -11.809 12.282 1.00 0.00 H new ATOM 767 N PRO A 50 12.052 -5.898 10.852 1.00 0.00 N ATOM 768 CA PRO A 50 11.429 -6.606 9.730 1.00 0.00 C ATOM 769 C PRO A 50 11.593 -5.860 8.410 1.00 0.00 C ATOM 770 O PRO A 50 12.384 -4.923 8.311 1.00 0.00 O ATOM 771 CB PRO A 50 9.952 -6.670 10.128 1.00 0.00 C ATOM 772 CG PRO A 50 9.757 -5.514 11.046 1.00 0.00 C ATOM 773 CD PRO A 50 11.056 -5.349 11.786 1.00 0.00 C ATOM 0 HA PRO A 50 11.883 -7.583 9.562 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.303 -6.596 9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.716 -7.612 10.622 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.508 -4.611 10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.935 -5.699 11.737 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.256 -4.303 12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.051 -5.890 12.732 1.00 0.00 H new ATOM 781 N ALA A 51 10.842 -6.283 7.399 1.00 0.00 N ATOM 782 CA ALA A 51 10.903 -5.653 6.086 1.00 0.00 C ATOM 783 C ALA A 51 9.596 -4.939 5.759 1.00 0.00 C ATOM 784 O ALA A 51 8.578 -5.577 5.489 1.00 0.00 O ATOM 785 CB ALA A 51 11.223 -6.689 5.018 1.00 0.00 C ATOM 0 H ALA A 51 10.184 -7.060 7.464 1.00 0.00 H new ATOM 0 HA ALA A 51 11.699 -4.908 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.265 -6.205 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.186 -7.151 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.447 -7.454 5.010 1.00 0.00 H new ATOM 791 N LYS A 52 9.631 -3.611 5.784 1.00 0.00 N ATOM 792 CA LYS A 52 8.449 -2.808 5.489 1.00 0.00 C ATOM 793 C LYS A 52 8.453 -2.349 4.035 1.00 0.00 C ATOM 794 O LYS A 52 9.498 -1.994 3.487 1.00 0.00 O ATOM 795 CB LYS A 52 8.387 -1.594 6.419 1.00 0.00 C ATOM 796 CG LYS A 52 7.944 -1.932 7.831 1.00 0.00 C ATOM 797 CD LYS A 52 7.515 -0.689 8.593 1.00 0.00 C ATOM 798 CE LYS A 52 8.692 -0.037 9.303 1.00 0.00 C ATOM 799 NZ LYS A 52 9.466 0.851 8.391 1.00 0.00 N ATOM 0 H LYS A 52 10.465 -3.067 6.006 1.00 0.00 H new ATOM 0 HA LYS A 52 7.568 -3.429 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.371 -1.126 6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.701 -0.859 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.117 -2.641 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.760 -2.422 8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.064 0.024 7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.750 -0.954 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.329 0.542 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.349 -0.810 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.947 1.586 8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.173 0.288 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.819 1.300 7.712 1.00 0.00 H new ATOM 813 N LEU A 53 7.279 -2.355 3.414 1.00 0.00 N ATOM 814 CA LEU A 53 7.146 -1.937 2.023 1.00 0.00 C ATOM 815 C LEU A 53 6.079 -0.857 1.878 1.00 0.00 C ATOM 816 O LEU A 53 4.891 -1.116 2.064 1.00 0.00 O ATOM 817 CB LEU A 53 6.797 -3.137 1.140 1.00 0.00 C ATOM 818 CG LEU A 53 7.968 -4.028 0.725 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.502 -5.462 0.523 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.622 -3.494 -0.541 1.00 0.00 C ATOM 0 H LEU A 53 6.405 -2.645 3.852 1.00 0.00 H new ATOM 0 HA LEU A 53 8.102 -1.523 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.068 -3.752 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.309 -2.769 0.238 1.00 0.00 H new ATOM 0 HG LEU A 53 8.709 -4.018 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.349 -6.082 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.081 -5.842 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.742 -5.491 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.453 -4.141 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.890 -3.474 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.992 -2.485 -0.361 1.00 0.00 H new ATOM 832 N ASN A 54 6.512 0.354 1.543 1.00 0.00 N ATOM 833 CA ASN A 54 5.593 1.474 1.371 1.00 0.00 C ATOM 834 C ASN A 54 4.581 1.183 0.267 1.00 0.00 C ATOM 835 O ASN A 54 4.950 0.964 -0.887 1.00 0.00 O ATOM 836 CB ASN A 54 6.368 2.751 1.043 1.00 0.00 C ATOM 837 CG ASN A 54 5.488 3.986 1.075 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.038 4.467 0.035 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.240 4.505 2.271 1.00 0.00 N ATOM 0 H ASN A 54 7.493 0.585 1.385 1.00 0.00 H new ATOM 0 HA ASN A 54 5.053 1.615 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.184 2.871 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.819 2.655 0.055 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.655 5.336 2.355 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.634 4.073 3.106 1.00 0.00 H new ATOM 846 N LEU A 55 3.303 1.182 0.629 1.00 0.00 N ATOM 847 CA LEU A 55 2.236 0.919 -0.330 1.00 0.00 C ATOM 848 C LEU A 55 2.096 2.072 -1.319 1.00 0.00 C ATOM 849 O LEU A 55 1.841 1.859 -2.505 1.00 0.00 O ATOM 850 CB LEU A 55 0.910 0.695 0.400 1.00 0.00 C ATOM 851 CG LEU A 55 0.658 -0.724 0.914 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.828 -1.200 1.762 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.637 -0.780 1.709 1.00 0.00 C ATOM 0 H LEU A 55 2.980 1.360 1.580 1.00 0.00 H new ATOM 0 HA LEU A 55 2.495 0.017 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.864 1.380 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.097 0.966 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 55 0.563 -1.390 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.631 -2.211 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.737 -1.198 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.955 -0.533 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.801 -1.796 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.571 -0.102 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.469 -0.482 1.071 1.00 0.00 H new ATOM 865 N LEU A 56 2.266 3.293 -0.824 1.00 0.00 N ATOM 866 CA LEU A 56 2.161 4.480 -1.665 1.00 0.00 C ATOM 867 C LEU A 56 3.099 4.383 -2.864 1.00 0.00 C ATOM 868 O LEU A 56 2.887 5.037 -3.886 1.00 0.00 O ATOM 869 CB LEU A 56 2.485 5.735 -0.851 1.00 0.00 C ATOM 870 CG LEU A 56 2.082 5.701 0.623 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.246 7.075 1.253 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.650 5.210 0.774 1.00 0.00 C ATOM 0 H LEU A 56 2.477 3.487 0.155 1.00 0.00 H new ATOM 0 HA LEU A 56 1.137 4.545 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.559 5.915 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.993 6.586 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 56 2.740 5.005 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.954 7.031 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.288 7.387 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.614 7.793 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.381 5.192 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.023 5.880 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.565 4.205 0.361 1.00 0.00 H new ATOM 884 N THR A 57 4.135 3.560 -2.734 1.00 0.00 N ATOM 885 CA THR A 57 5.104 3.375 -3.807 1.00 0.00 C ATOM 886 C THR A 57 4.977 1.990 -4.430 1.00 0.00 C ATOM 887 O THR A 57 5.243 1.807 -5.619 1.00 0.00 O ATOM 888 CB THR A 57 6.546 3.569 -3.301 1.00 0.00 C ATOM 889 OG1 THR A 57 7.011 2.367 -2.677 1.00 0.00 O ATOM 890 CG2 THR A 57 6.622 4.722 -2.313 1.00 0.00 C ATOM 0 H THR A 57 4.324 3.011 -1.896 1.00 0.00 H new ATOM 0 HA THR A 57 4.888 4.130 -4.562 1.00 0.00 H new ATOM 0 HB THR A 57 7.180 3.803 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.318 2.021 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.650 4.840 -1.970 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.295 5.641 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.976 4.513 -1.460 1.00 0.00 H new ATOM 898 N CYS A 58 4.569 1.018 -3.622 1.00 0.00 N ATOM 899 CA CYS A 58 4.407 -0.352 -4.095 1.00 0.00 C ATOM 900 C CYS A 58 3.164 -0.482 -4.969 1.00 0.00 C ATOM 901 O CYS A 58 2.156 0.182 -4.733 1.00 0.00 O ATOM 902 CB CYS A 58 4.315 -1.315 -2.910 1.00 0.00 C ATOM 903 SG CYS A 58 5.910 -1.969 -2.364 1.00 0.00 S ATOM 0 H CYS A 58 4.344 1.153 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 58 5.280 -0.609 -4.696 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.840 -0.801 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.667 -2.148 -3.182 1.00 0.00 H new ATOM 0 HG CYS A 58 6.424 -1.172 -1.475 1.00 0.00 H new ATOM 909 N GLN A 59 3.246 -1.341 -5.980 1.00 0.00 N ATOM 910 CA GLN A 59 2.128 -1.556 -6.891 1.00 0.00 C ATOM 911 C GLN A 59 1.543 -2.954 -6.715 1.00 0.00 C ATOM 912 O GLN A 59 2.253 -3.953 -6.827 1.00 0.00 O ATOM 913 CB GLN A 59 2.578 -1.357 -8.340 1.00 0.00 C ATOM 914 CG GLN A 59 1.458 -0.920 -9.270 1.00 0.00 C ATOM 915 CD GLN A 59 1.966 -0.150 -10.473 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.165 0.099 -10.604 1.00 0.00 O ATOM 917 NE2 GLN A 59 1.054 0.231 -11.360 1.00 0.00 N ATOM 0 H GLN A 59 4.074 -1.899 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 59 1.354 -0.826 -6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.372 -0.611 -8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.004 -2.289 -8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.910 -1.799 -9.611 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.753 -0.299 -8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.071 0.003 -11.211 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.336 0.752 -12.190 1.00 0.00 H new ATOM 926 N VAL A 60 0.244 -3.016 -6.439 1.00 0.00 N ATOM 927 CA VAL A 60 -0.436 -4.291 -6.248 1.00 0.00 C ATOM 928 C VAL A 60 -1.090 -4.764 -7.541 1.00 0.00 C ATOM 929 O VAL A 60 -2.196 -4.342 -7.882 1.00 0.00 O ATOM 930 CB VAL A 60 -1.510 -4.194 -5.148 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.306 -5.488 -5.064 1.00 0.00 C ATOM 932 CG2 VAL A 60 -0.871 -3.864 -3.807 1.00 0.00 C ATOM 0 H VAL A 60 -0.358 -2.198 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 60 0.322 -5.012 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.197 -3.388 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.060 -5.401 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.795 -5.677 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.634 -6.314 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.644 -3.799 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.161 -4.647 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.350 -2.909 -3.878 1.00 0.00 H new ATOM 942 N LYS A 61 -0.400 -5.643 -8.259 1.00 0.00 N ATOM 943 CA LYS A 61 -0.913 -6.176 -9.516 1.00 0.00 C ATOM 944 C LYS A 61 -1.442 -7.595 -9.329 1.00 0.00 C ATOM 945 O LYS A 61 -0.695 -8.573 -9.378 1.00 0.00 O ATOM 946 CB LYS A 61 0.183 -6.165 -10.584 1.00 0.00 C ATOM 947 CG LYS A 61 0.312 -4.837 -11.309 1.00 0.00 C ATOM 948 CD LYS A 61 1.132 -4.974 -12.581 1.00 0.00 C ATOM 949 CE LYS A 61 0.273 -5.420 -13.753 1.00 0.00 C ATOM 950 NZ LYS A 61 -0.487 -4.286 -14.348 1.00 0.00 N ATOM 0 H LYS A 61 0.517 -6.002 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.736 -5.540 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.137 -6.408 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.024 -6.949 -11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.680 -4.457 -11.554 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.780 -4.106 -10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.603 -4.019 -12.816 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.934 -5.694 -12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.907 -5.872 -14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.424 -6.189 -13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.060 -4.632 -15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.111 -3.870 -13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.178 -3.563 -14.689 1.00 0.00 H new ATOM 964 N PRO A 62 -2.760 -7.713 -9.112 1.00 0.00 N ATOM 965 CA PRO A 62 -3.418 -9.008 -8.916 1.00 0.00 C ATOM 966 C PRO A 62 -3.455 -9.839 -10.194 1.00 0.00 C ATOM 967 O PRO A 62 -4.023 -9.419 -11.201 1.00 0.00 O ATOM 968 CB PRO A 62 -4.836 -8.625 -8.485 1.00 0.00 C ATOM 969 CG PRO A 62 -5.053 -7.268 -9.061 1.00 0.00 C ATOM 970 CD PRO A 62 -3.710 -6.590 -9.041 1.00 0.00 C ATOM 0 HA PRO A 62 -2.891 -9.627 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.570 -9.337 -8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.930 -8.614 -7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.442 -7.333 -10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.782 -6.708 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.591 -5.909 -9.884 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.570 -6.002 -8.134 1.00 0.00 H new ATOM 978 N ASN A 63 -2.846 -11.019 -10.146 1.00 0.00 N ATOM 979 CA ASN A 63 -2.810 -11.908 -11.301 1.00 0.00 C ATOM 980 C ASN A 63 -4.153 -12.608 -11.490 1.00 0.00 C ATOM 981 O ASN A 63 -4.592 -13.373 -10.633 1.00 0.00 O ATOM 982 CB ASN A 63 -1.700 -12.948 -11.136 1.00 0.00 C ATOM 983 CG ASN A 63 -0.362 -12.450 -11.647 1.00 0.00 C ATOM 984 OD1 ASN A 63 0.065 -12.801 -12.747 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.308 -11.627 -10.848 1.00 0.00 N ATOM 0 H ASN A 63 -2.371 -11.382 -9.320 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.606 -11.305 -12.186 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.608 -13.213 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.975 -13.857 -11.671 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.214 -11.260 -11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.084 -11.362 -9.944 1.00 0.00 H new ATOM 992 N ALA A 64 -4.799 -12.340 -12.620 1.00 0.00 N ATOM 993 CA ALA A 64 -6.090 -12.946 -12.924 1.00 0.00 C ATOM 994 C ALA A 64 -5.920 -14.375 -13.429 1.00 0.00 C ATOM 995 O ALA A 64 -6.647 -15.278 -13.017 1.00 0.00 O ATOM 996 CB ALA A 64 -6.838 -12.107 -13.950 1.00 0.00 C ATOM 0 H ALA A 64 -4.450 -11.707 -13.340 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.673 -12.981 -12.004 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.800 -12.571 -14.168 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.000 -11.105 -13.552 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.250 -12.043 -14.866 1.00 0.00 H new ATOM 1002 N GLU A 65 -4.957 -14.571 -14.324 1.00 0.00 N ATOM 1003 CA GLU A 65 -4.694 -15.891 -14.886 1.00 0.00 C ATOM 1004 C GLU A 65 -4.500 -16.924 -13.780 1.00 0.00 C ATOM 1005 O GLU A 65 -5.024 -18.036 -13.855 1.00 0.00 O ATOM 1006 CB GLU A 65 -3.456 -15.850 -15.784 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.751 -15.408 -17.208 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.494 -15.089 -17.992 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -2.055 -13.920 -17.961 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -1.948 -16.009 -18.636 1.00 0.00 O ATOM 0 H GLU A 65 -4.346 -13.833 -14.675 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.558 -16.182 -15.484 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.723 -15.172 -15.347 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.001 -16.840 -15.807 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.305 -16.194 -17.721 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.394 -14.528 -17.185 1.00 0.00 H new ATOM 1017 N ASP A 66 -3.743 -16.549 -12.755 1.00 0.00 N ATOM 1018 CA ASP A 66 -3.479 -17.442 -11.632 1.00 0.00 C ATOM 1019 C ASP A 66 -4.682 -17.509 -10.697 1.00 0.00 C ATOM 1020 O ASP A 66 -5.734 -16.933 -10.977 1.00 0.00 O ATOM 1021 CB ASP A 66 -2.243 -16.975 -10.861 1.00 0.00 C ATOM 1022 CG ASP A 66 -0.951 -17.319 -11.576 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -0.749 -16.828 -12.706 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -0.141 -18.078 -11.004 1.00 0.00 O ATOM 0 H ASP A 66 -3.301 -15.633 -12.678 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.294 -18.440 -12.029 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.297 -15.896 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.241 -17.433 -9.872 1.00 0.00 H new ATOM 1029 N LYS A 67 -4.521 -18.218 -9.584 1.00 0.00 N ATOM 1030 CA LYS A 67 -5.593 -18.361 -8.606 1.00 0.00 C ATOM 1031 C LYS A 67 -5.272 -17.590 -7.330 1.00 0.00 C ATOM 1032 O LYS A 67 -4.207 -17.765 -6.738 1.00 0.00 O ATOM 1033 CB LYS A 67 -5.818 -19.839 -8.279 1.00 0.00 C ATOM 1034 CG LYS A 67 -6.765 -20.538 -9.239 1.00 0.00 C ATOM 1035 CD LYS A 67 -8.212 -20.162 -8.966 1.00 0.00 C ATOM 1036 CE LYS A 67 -9.165 -20.908 -9.888 1.00 0.00 C ATOM 1037 NZ LYS A 67 -9.423 -22.296 -9.413 1.00 0.00 N ATOM 0 H LYS A 67 -3.658 -18.702 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.504 -17.948 -9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.858 -20.355 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.214 -19.922 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.506 -20.273 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.645 -21.618 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.458 -20.386 -7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.341 -19.088 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.108 -20.365 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.747 -20.940 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.077 -22.771 -10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.527 -22.822 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.846 -22.265 -8.463 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.200 -16.737 -6.910 1.00 0.00 N ATOM 1052 CA LYS A 68 -6.018 -15.941 -5.702 1.00 0.00 C ATOM 1053 C LYS A 68 -4.555 -15.548 -5.525 1.00 0.00 C ATOM 1054 O LYS A 68 -4.029 -15.562 -4.412 1.00 0.00 O ATOM 1055 CB LYS A 68 -6.500 -16.719 -4.476 1.00 0.00 C ATOM 1056 CG LYS A 68 -5.918 -18.118 -4.376 1.00 0.00 C ATOM 1057 CD LYS A 68 -6.503 -18.883 -3.200 1.00 0.00 C ATOM 1058 CE LYS A 68 -6.500 -20.382 -3.453 1.00 0.00 C ATOM 1059 NZ LYS A 68 -7.364 -21.110 -2.483 1.00 0.00 N ATOM 0 H LYS A 68 -7.087 -16.579 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.611 -15.032 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.239 -16.161 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.587 -16.788 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.116 -18.662 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.835 -18.056 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.928 -18.664 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.523 -18.546 -3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.846 -20.580 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.480 -20.760 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.610 -22.043 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.853 -21.231 -1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.233 -20.564 -2.315 1.00 0.00 H new ATOM 1073 N SER A 69 -3.903 -15.197 -6.629 1.00 0.00 N ATOM 1074 CA SER A 69 -2.500 -14.802 -6.595 1.00 0.00 C ATOM 1075 C SER A 69 -2.341 -13.329 -6.960 1.00 0.00 C ATOM 1076 O SER A 69 -3.075 -12.802 -7.796 1.00 0.00 O ATOM 1077 CB SER A 69 -1.682 -15.668 -7.555 1.00 0.00 C ATOM 1078 OG SER A 69 -1.445 -16.953 -7.007 1.00 0.00 O ATOM 0 H SER A 69 -4.324 -15.178 -7.558 1.00 0.00 H new ATOM 0 HA SER A 69 -2.131 -14.948 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.212 -15.765 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.731 -15.180 -7.770 1.00 0.00 H new ATOM 0 HG SER A 69 -2.301 -17.400 -6.839 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.377 -12.670 -6.326 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.121 -11.257 -6.581 1.00 0.00 C ATOM 1086 C PHE A 70 0.376 -10.962 -6.554 1.00 0.00 C ATOM 1087 O PHE A 70 1.105 -11.475 -5.704 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.842 -10.391 -5.546 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.174 -10.384 -4.201 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.399 -11.409 -3.296 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.322 -9.353 -3.841 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -0.786 -11.406 -2.057 1.00 0.00 C ATOM 1093 CE2 PHE A 70 0.294 -9.345 -2.604 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.061 -10.371 -1.710 1.00 0.00 C ATOM 0 H PHE A 70 -0.760 -13.092 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.503 -11.018 -7.574 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.902 -9.368 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.865 -10.750 -5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.061 -12.220 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.137 -8.546 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.969 -12.212 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.958 -8.536 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.540 -10.365 -0.742 1.00 0.00 H new ATOM 1104 N ASP A 71 0.827 -10.134 -7.489 1.00 0.00 N ATOM 1105 CA ASP A 71 2.236 -9.770 -7.573 1.00 0.00 C ATOM 1106 C ASP A 71 2.466 -8.361 -7.034 1.00 0.00 C ATOM 1107 O ASP A 71 1.784 -7.415 -7.429 1.00 0.00 O ATOM 1108 CB ASP A 71 2.723 -9.861 -9.020 1.00 0.00 C ATOM 1109 CG ASP A 71 3.078 -11.279 -9.423 1.00 0.00 C ATOM 1110 OD1 ASP A 71 3.538 -12.046 -8.552 1.00 0.00 O ATOM 1111 OD2 ASP A 71 2.896 -11.622 -10.610 1.00 0.00 O ATOM 0 H ASP A 71 0.237 -9.702 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 71 2.804 -10.471 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.948 -9.480 -9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.596 -9.221 -9.148 1.00 0.00 H new ATOM 1116 N LEU A 72 3.430 -8.230 -6.130 1.00 0.00 N ATOM 1117 CA LEU A 72 3.750 -6.937 -5.535 1.00 0.00 C ATOM 1118 C LEU A 72 5.009 -6.346 -6.162 1.00 0.00 C ATOM 1119 O LEU A 72 6.118 -6.823 -5.919 1.00 0.00 O ATOM 1120 CB LEU A 72 3.939 -7.081 -4.024 1.00 0.00 C ATOM 1121 CG LEU A 72 3.975 -5.778 -3.224 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.594 -5.143 -3.175 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.500 -6.029 -1.818 1.00 0.00 C ATOM 0 H LEU A 72 4.004 -9.003 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 72 2.918 -6.260 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.131 -7.701 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.869 -7.620 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 72 4.652 -5.086 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.639 -4.217 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.257 -4.926 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.894 -5.830 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.519 -5.091 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.849 -6.739 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.509 -6.437 -1.874 1.00 0.00 H new ATOM 1135 N ILE A 73 4.830 -5.304 -6.966 1.00 0.00 N ATOM 1136 CA ILE A 73 5.952 -4.645 -7.624 1.00 0.00 C ATOM 1137 C ILE A 73 6.567 -3.577 -6.726 1.00 0.00 C ATOM 1138 O ILE A 73 5.962 -2.533 -6.483 1.00 0.00 O ATOM 1139 CB ILE A 73 5.523 -3.997 -8.954 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.153 -5.075 -9.976 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.634 -3.108 -9.492 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.120 -4.622 -10.983 1.00 0.00 C ATOM 0 H ILE A 73 3.919 -4.897 -7.178 1.00 0.00 H new ATOM 0 HA ILE A 73 6.695 -5.416 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 73 4.644 -3.378 -8.773 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.053 -5.386 -10.506 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.775 -5.950 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.316 -2.657 -10.432 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.854 -2.323 -8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.529 -3.706 -9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.906 -5.436 -11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.205 -4.338 -10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.503 -3.765 -11.537 1.00 0.00 H new ATOM 1154 N SER A 74 7.773 -3.846 -6.237 1.00 0.00 N ATOM 1155 CA SER A 74 8.470 -2.909 -5.364 1.00 0.00 C ATOM 1156 C SER A 74 9.626 -2.238 -6.100 1.00 0.00 C ATOM 1157 O SER A 74 9.833 -2.464 -7.292 1.00 0.00 O ATOM 1158 CB SER A 74 8.992 -3.630 -4.120 1.00 0.00 C ATOM 1159 OG SER A 74 9.428 -2.704 -3.139 1.00 0.00 O ATOM 0 H SER A 74 8.288 -4.705 -6.430 1.00 0.00 H new ATOM 0 HA SER A 74 7.761 -2.139 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.206 -4.261 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.816 -4.287 -4.396 1.00 0.00 H new ATOM 0 HG SER A 74 10.248 -3.036 -2.718 1.00 0.00 H new ATOM 1165 N HIS A 75 10.377 -1.410 -5.380 1.00 0.00 N ATOM 1166 CA HIS A 75 11.513 -0.706 -5.962 1.00 0.00 C ATOM 1167 C HIS A 75 12.332 -1.637 -6.852 1.00 0.00 C ATOM 1168 O HIS A 75 13.070 -2.490 -6.360 1.00 0.00 O ATOM 1169 CB HIS A 75 12.400 -0.124 -4.861 1.00 0.00 C ATOM 1170 CG HIS A 75 11.631 0.567 -3.776 1.00 0.00 C ATOM 1171 ND1 HIS A 75 11.205 -0.073 -2.631 1.00 0.00 N ATOM 1172 CD2 HIS A 75 11.214 1.850 -3.666 1.00 0.00 C ATOM 1173 CE1 HIS A 75 10.558 0.786 -1.865 1.00 0.00 C ATOM 1174 NE2 HIS A 75 10.550 1.961 -2.470 1.00 0.00 N ATOM 0 H HIS A 75 10.219 -1.211 -4.392 1.00 0.00 H new ATOM 0 HA HIS A 75 11.127 0.108 -6.575 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.993 -0.926 -4.421 1.00 0.00 H new ATOM 0 HB3 HIS A 75 13.101 0.583 -5.306 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.374 2.639 -4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.111 0.566 -0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.120 2.812 -2.107 1.00 0.00 H new ATOM 1183 N ASN A 76 12.195 -1.468 -8.163 1.00 0.00 N ATOM 1184 CA ASN A 76 12.920 -2.294 -9.120 1.00 0.00 C ATOM 1185 C ASN A 76 13.048 -3.728 -8.615 1.00 0.00 C ATOM 1186 O ASN A 76 14.090 -4.364 -8.778 1.00 0.00 O ATOM 1187 CB ASN A 76 14.309 -1.708 -9.382 1.00 0.00 C ATOM 1188 CG ASN A 76 15.055 -2.452 -10.473 1.00 0.00 C ATOM 1189 OD1 ASN A 76 16.054 -3.122 -10.211 1.00 0.00 O ATOM 1190 ND2 ASN A 76 14.571 -2.337 -11.704 1.00 0.00 N ATOM 0 H ASN A 76 11.588 -0.766 -8.587 1.00 0.00 H new ATOM 0 HA ASN A 76 12.356 -2.305 -10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.211 -0.659 -9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.892 -1.738 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.030 -2.815 -12.479 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.740 -1.771 -11.874 1.00 0.00 H new ATOM 1197 N ARG A 77 11.982 -4.230 -8.000 1.00 0.00 N ATOM 1198 CA ARG A 77 11.975 -5.588 -7.470 1.00 0.00 C ATOM 1199 C ARG A 77 10.569 -6.180 -7.511 1.00 0.00 C ATOM 1200 O ARG A 77 9.657 -5.688 -6.846 1.00 0.00 O ATOM 1201 CB ARG A 77 12.504 -5.601 -6.035 1.00 0.00 C ATOM 1202 CG ARG A 77 14.015 -5.741 -5.944 1.00 0.00 C ATOM 1203 CD ARG A 77 14.440 -7.201 -5.952 1.00 0.00 C ATOM 1204 NE ARG A 77 14.539 -7.735 -7.308 1.00 0.00 N ATOM 1205 CZ ARG A 77 14.613 -9.032 -7.583 1.00 0.00 C ATOM 1206 NH1 ARG A 77 14.598 -9.924 -6.602 1.00 0.00 N ATOM 1207 NH2 ARG A 77 14.702 -9.440 -8.843 1.00 0.00 N ATOM 0 H ARG A 77 11.112 -3.717 -7.857 1.00 0.00 H new ATOM 0 HA ARG A 77 12.626 -6.199 -8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.202 -4.679 -5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 77 12.038 -6.424 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.481 -5.221 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.372 -5.262 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.403 -7.301 -5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.722 -7.791 -5.382 1.00 0.00 H new ATOM 0 HE ARG A 77 14.552 -7.076 -8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.529 -9.615 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.655 -10.919 -6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.714 -8.757 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.759 -10.436 -9.054 1.00 0.00 H new ATOM 1221 N THR A 78 10.402 -7.240 -8.296 1.00 0.00 N ATOM 1222 CA THR A 78 9.108 -7.898 -8.425 1.00 0.00 C ATOM 1223 C THR A 78 8.954 -9.014 -7.398 1.00 0.00 C ATOM 1224 O THR A 78 9.697 -9.996 -7.418 1.00 0.00 O ATOM 1225 CB THR A 78 8.914 -8.484 -9.836 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.128 -7.468 -10.822 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.517 -9.064 -9.994 1.00 0.00 C ATOM 0 H THR A 78 11.147 -7.661 -8.852 1.00 0.00 H new ATOM 0 HA THR A 78 8.348 -7.137 -8.248 1.00 0.00 H new ATOM 0 HB THR A 78 9.640 -9.285 -9.976 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.004 -7.849 -11.716 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.404 -9.472 -10.998 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.367 -9.857 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.777 -8.279 -9.836 1.00 0.00 H new ATOM 1235 N TYR A 79 7.985 -8.859 -6.503 1.00 0.00 N ATOM 1236 CA TYR A 79 7.735 -9.853 -5.467 1.00 0.00 C ATOM 1237 C TYR A 79 6.553 -10.744 -5.840 1.00 0.00 C ATOM 1238 O TYR A 79 5.759 -10.405 -6.717 1.00 0.00 O ATOM 1239 CB TYR A 79 7.468 -9.167 -4.126 1.00 0.00 C ATOM 1240 CG TYR A 79 8.724 -8.714 -3.416 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.493 -7.673 -3.922 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.142 -9.327 -2.242 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.642 -7.256 -3.277 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.288 -8.916 -1.590 1.00 0.00 C ATOM 1245 CZ TYR A 79 11.035 -7.880 -2.112 1.00 0.00 C ATOM 1246 OH TYR A 79 12.178 -7.469 -1.466 1.00 0.00 O ATOM 0 H TYR A 79 7.360 -8.054 -6.474 1.00 0.00 H new ATOM 0 HA TYR A 79 8.623 -10.478 -5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.823 -8.304 -4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.922 -9.854 -3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.188 -7.182 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.561 -10.139 -1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.229 -6.446 -3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.598 -9.403 -0.677 1.00 0.00 H new ATOM 0 HH TYR A 79 12.312 -8.011 -0.661 1.00 0.00 H new ATOM 1256 N HIS A 80 6.444 -11.884 -5.166 1.00 0.00 N ATOM 1257 CA HIS A 80 5.359 -12.824 -5.424 1.00 0.00 C ATOM 1258 C HIS A 80 4.657 -13.214 -4.127 1.00 0.00 C ATOM 1259 O HIS A 80 5.306 -13.514 -3.124 1.00 0.00 O ATOM 1260 CB HIS A 80 5.895 -14.074 -6.123 1.00 0.00 C ATOM 1261 CG HIS A 80 6.931 -13.780 -7.165 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.653 -13.103 -8.333 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.251 -14.075 -7.207 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.757 -12.995 -9.050 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.742 -13.576 -8.389 1.00 0.00 N ATOM 0 H HIS A 80 7.094 -12.179 -4.437 1.00 0.00 H new ATOM 0 HA HIS A 80 4.635 -12.334 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.322 -14.743 -5.376 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.064 -14.605 -6.588 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.738 -12.742 -8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.814 -14.604 -6.452 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.840 -12.513 -10.013 1.00 0.00 H new ATOM 1274 N PHE A 81 3.329 -13.207 -4.154 1.00 0.00 N ATOM 1275 CA PHE A 81 2.539 -13.558 -2.979 1.00 0.00 C ATOM 1276 C PHE A 81 1.326 -14.396 -3.371 1.00 0.00 C ATOM 1277 O PHE A 81 0.684 -14.140 -4.389 1.00 0.00 O ATOM 1278 CB PHE A 81 2.084 -12.293 -2.248 1.00 0.00 C ATOM 1279 CG PHE A 81 3.206 -11.551 -1.579 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.741 -12.006 -0.385 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.727 -10.399 -2.146 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.773 -11.325 0.232 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.759 -9.713 -1.534 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.283 -10.178 -0.343 1.00 0.00 C ATOM 0 H PHE A 81 2.777 -12.962 -4.976 1.00 0.00 H new ATOM 0 HA PHE A 81 3.167 -14.149 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.593 -11.629 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.340 -12.564 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.347 -12.903 0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.322 -10.033 -3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.180 -11.690 1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.155 -8.815 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.090 -9.645 0.137 1.00 0.00 H new ATOM 1294 N GLN A 82 1.018 -15.399 -2.554 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.117 -16.276 -2.816 1.00 0.00 C ATOM 1296 C GLN A 82 -1.014 -16.385 -1.588 1.00 0.00 C ATOM 1297 O GLN A 82 -0.537 -16.363 -0.454 1.00 0.00 O ATOM 1298 CB GLN A 82 0.371 -17.666 -3.231 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.613 -18.417 -4.114 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.386 -19.915 -4.098 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.603 -20.577 -3.082 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.054 -20.460 -5.226 1.00 0.00 N ATOM 0 H GLN A 82 1.538 -15.624 -1.706 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.698 -15.844 -3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.319 -17.566 -3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.566 -18.256 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.629 -18.204 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.529 -18.052 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.221 -19.874 -6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.225 -21.464 -5.274 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.317 -16.503 -1.822 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.282 -16.617 -0.735 1.00 0.00 C ATOM 1313 C ALA A 83 -3.658 -18.074 -0.486 1.00 0.00 C ATOM 1314 O ALA A 83 -3.799 -18.857 -1.425 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.524 -15.795 -1.043 1.00 0.00 C ATOM 0 H ALA A 83 -2.729 -16.522 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.818 -16.228 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.236 -15.890 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.247 -14.748 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.981 -16.158 -1.964 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.818 -18.430 0.785 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.177 -19.794 1.156 1.00 0.00 C ATOM 1323 C GLU A 84 -5.626 -20.095 0.786 1.00 0.00 C ATOM 1324 O GLU A 84 -5.979 -21.238 0.495 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.966 -20.010 2.656 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.503 -20.073 3.062 1.00 0.00 C ATOM 1327 CD GLU A 84 -1.890 -18.699 3.250 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -1.753 -17.968 2.248 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.548 -18.356 4.401 1.00 0.00 O ATOM 0 H GLU A 84 -3.705 -17.794 1.574 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.530 -20.476 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.452 -19.202 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.457 -20.936 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.411 -20.638 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.942 -20.616 2.302 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.461 -19.062 0.802 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.873 -19.215 0.468 1.00 0.00 C ATOM 1338 C ASP A 85 -8.366 -18.033 -0.362 1.00 0.00 C ATOM 1339 O ASP A 85 -7.898 -16.907 -0.194 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.709 -19.343 1.742 1.00 0.00 C ATOM 1341 CG ASP A 85 -10.138 -19.761 1.457 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -10.350 -20.537 0.502 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -11.045 -19.312 2.189 1.00 0.00 O ATOM 0 H ASP A 85 -6.185 -18.110 1.043 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.985 -20.124 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.245 -20.073 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.711 -18.389 2.269 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.312 -18.299 -1.257 1.00 0.00 N ATOM 1349 CA GLU A 86 -9.866 -17.258 -2.114 1.00 0.00 C ATOM 1350 C GLU A 86 -10.334 -16.064 -1.286 1.00 0.00 C ATOM 1351 O GLU A 86 -10.135 -14.913 -1.673 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.032 -17.810 -2.937 1.00 0.00 C ATOM 1353 CG GLU A 86 -10.599 -18.500 -4.219 1.00 0.00 C ATOM 1354 CD GLU A 86 -10.253 -19.961 -4.008 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -10.775 -20.560 -3.044 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -9.462 -20.506 -4.805 1.00 0.00 O ATOM 0 H GLU A 86 -9.710 -19.226 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.080 -16.924 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.594 -18.516 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.710 -16.993 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.398 -18.423 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.733 -17.982 -4.632 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.956 -16.349 -0.147 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.453 -15.299 0.734 1.00 0.00 C ATOM 1365 C GLN A 87 -10.316 -14.395 1.199 1.00 0.00 C ATOM 1366 O GLN A 87 -10.478 -13.178 1.296 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.160 -15.912 1.944 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.636 -16.191 1.710 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.484 -14.936 1.771 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -14.243 -14.049 2.590 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -15.484 -14.855 0.901 1.00 0.00 N ATOM 0 H GLN A 87 -11.128 -17.297 0.187 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.166 -14.696 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.661 -16.843 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.057 -15.238 2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.763 -16.663 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.991 -16.901 2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.647 -15.614 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.089 -14.034 0.894 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.168 -14.997 1.487 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.003 -14.246 1.941 1.00 0.00 C ATOM 1382 C ASP A 88 -7.524 -13.281 0.861 1.00 0.00 C ATOM 1383 O ASP A 88 -7.246 -12.114 1.137 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.873 -15.201 2.327 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.909 -14.586 3.323 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.356 -13.763 4.149 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.708 -14.925 3.275 1.00 0.00 O ATOM 0 H ASP A 88 -9.019 -16.003 1.414 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.294 -13.667 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.299 -16.110 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.327 -15.494 1.430 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.429 -13.776 -0.367 1.00 0.00 N ATOM 1393 CA TYR A 89 -6.980 -12.959 -1.488 1.00 0.00 C ATOM 1394 C TYR A 89 -7.940 -11.800 -1.737 1.00 0.00 C ATOM 1395 O TYR A 89 -7.567 -10.633 -1.621 1.00 0.00 O ATOM 1396 CB TYR A 89 -6.855 -13.813 -2.751 1.00 0.00 C ATOM 1397 CG TYR A 89 -6.797 -13.002 -4.027 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -7.961 -12.566 -4.648 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -5.580 -12.673 -4.609 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -7.913 -11.826 -5.814 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -5.522 -11.932 -5.774 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.692 -11.511 -6.373 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.640 -10.773 -7.533 1.00 0.00 O ATOM 0 H TYR A 89 -7.657 -14.740 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.002 -12.549 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.956 -14.425 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.703 -14.496 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.919 -12.809 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.663 -13.002 -4.143 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.827 -11.496 -6.285 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.567 -11.684 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.414 -10.173 -7.574 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.181 -12.132 -2.080 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.198 -11.121 -2.344 1.00 0.00 C ATOM 1415 C VAL A 90 -10.103 -9.973 -1.346 1.00 0.00 C ATOM 1416 O VAL A 90 -10.280 -8.809 -1.704 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.615 -11.721 -2.286 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.664 -10.625 -2.389 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.801 -12.753 -3.388 1.00 0.00 C ATOM 0 H VAL A 90 -9.506 -13.093 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.013 -10.742 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.740 -12.221 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.659 -11.068 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.542 -9.926 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.544 -10.094 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.808 -13.167 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.657 -12.279 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.072 -13.554 -3.263 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.822 -10.309 -0.091 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.701 -9.306 0.960 1.00 0.00 C ATOM 1431 C ALA A 91 -8.375 -8.560 0.856 1.00 0.00 C ATOM 1432 O ALA A 91 -8.349 -7.342 0.676 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.838 -9.956 2.328 1.00 0.00 C ATOM 0 H ALA A 91 -9.674 -11.268 0.222 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.506 -8.582 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.746 -9.195 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.813 -10.437 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.054 -10.702 2.457 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.277 -9.297 0.973 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.946 -8.704 0.893 1.00 0.00 C ATOM 1441 C TRP A 92 -5.905 -7.598 -0.155 1.00 0.00 C ATOM 1442 O TRP A 92 -5.513 -6.468 0.137 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.907 -9.776 0.563 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.316 -10.426 1.777 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.437 -11.735 2.146 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.515 -9.796 2.782 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.758 -11.957 3.321 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.184 -10.783 3.731 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.043 -8.494 2.972 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.404 -10.507 4.851 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.270 -8.222 4.085 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.956 -9.224 5.012 1.00 0.00 C ATOM 0 H TRP A 92 -7.281 -10.306 1.124 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.711 -8.267 1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.370 -10.541 -0.060 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.107 -9.327 -0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.985 -12.486 1.596 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.692 -12.851 3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.278 -7.715 2.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.161 -11.278 5.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.902 -7.219 4.243 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.348 -8.979 5.871 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.312 -7.930 -1.375 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.323 -6.962 -2.466 1.00 0.00 C ATOM 1465 C ILE A 93 -7.073 -5.695 -2.070 1.00 0.00 C ATOM 1466 O ILE A 93 -6.608 -4.583 -2.318 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.967 -7.552 -3.735 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.207 -8.801 -4.186 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.996 -6.513 -4.846 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.772 -8.526 -4.577 1.00 0.00 C ATOM 0 H ILE A 93 -6.638 -8.861 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.283 -6.713 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.993 -7.838 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.221 -9.536 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.727 -9.247 -5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.454 -6.945 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.577 -5.650 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.978 -6.199 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.294 -9.456 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.750 -7.815 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.236 -8.109 -3.724 1.00 0.00 H new ATOM 1482 N SER A 94 -8.236 -5.872 -1.451 1.00 0.00 N ATOM 1483 CA SER A 94 -9.053 -4.743 -1.022 1.00 0.00 C ATOM 1484 C SER A 94 -8.282 -3.852 -0.052 1.00 0.00 C ATOM 1485 O SER A 94 -8.322 -2.626 -0.151 1.00 0.00 O ATOM 1486 CB SER A 94 -10.341 -5.239 -0.362 1.00 0.00 C ATOM 1487 OG SER A 94 -11.397 -4.313 -0.545 1.00 0.00 O ATOM 0 H SER A 94 -8.633 -6.786 -1.235 1.00 0.00 H new ATOM 0 HA SER A 94 -9.308 -4.156 -1.904 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.622 -6.204 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.171 -5.395 0.703 1.00 0.00 H new ATOM 0 HG SER A 94 -12.215 -4.665 -0.137 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.579 -4.480 0.886 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.798 -3.746 1.875 1.00 0.00 C ATOM 1495 C VAL A 95 -5.569 -3.107 1.238 1.00 0.00 C ATOM 1496 O VAL A 95 -5.490 -1.885 1.103 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.347 -4.663 3.027 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.265 -3.883 4.330 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.291 -5.848 3.165 1.00 0.00 C ATOM 0 H VAL A 95 -7.534 -5.495 0.982 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.445 -2.965 2.275 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.352 -5.044 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.945 -4.548 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.546 -3.071 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.245 -3.471 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.957 -6.486 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.299 -5.488 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.294 -6.421 2.237 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.610 -3.940 0.848 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.383 -3.456 0.225 1.00 0.00 C ATOM 1511 C LEU A 96 -3.654 -2.214 -0.619 1.00 0.00 C ATOM 1512 O LEU A 96 -2.957 -1.205 -0.500 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.764 -4.552 -0.644 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.424 -5.862 0.068 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.523 -7.034 -0.896 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -1.034 -5.790 0.682 1.00 0.00 C ATOM 0 H LEU A 96 -4.659 -4.953 0.952 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.683 -3.189 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.452 -4.773 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.852 -4.159 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.146 -6.016 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.278 -7.958 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.538 -7.098 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.824 -6.888 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.809 -6.731 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.298 -5.613 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.997 -4.975 1.405 1.00 0.00 H new ATOM 1528 N THR A 97 -4.672 -2.293 -1.470 1.00 0.00 N ATOM 1529 CA THR A 97 -5.035 -1.176 -2.333 1.00 0.00 C ATOM 1530 C THR A 97 -5.684 -0.053 -1.532 1.00 0.00 C ATOM 1531 O THR A 97 -5.287 1.107 -1.640 1.00 0.00 O ATOM 1532 CB THR A 97 -6.000 -1.619 -3.449 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.603 -2.896 -3.962 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.027 -0.600 -4.577 1.00 0.00 C ATOM 0 H THR A 97 -5.260 -3.119 -1.580 1.00 0.00 H new ATOM 0 HA THR A 97 -4.112 -0.811 -2.785 1.00 0.00 H new ATOM 0 HB THR A 97 -7.001 -1.694 -3.024 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.168 -3.595 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.715 -0.935 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.358 0.363 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.027 -0.497 -4.998 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.682 -0.404 -0.729 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.386 0.576 0.090 1.00 0.00 C ATOM 1544 C ASN A 98 -6.400 1.474 0.831 1.00 0.00 C ATOM 1545 O ASN A 98 -6.311 2.672 0.561 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.303 -0.129 1.092 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.644 -0.498 0.488 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.002 -0.025 -0.591 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.392 -1.347 1.183 1.00 0.00 N ATOM 0 H ASN A 98 -7.022 -1.360 -0.628 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.991 1.197 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.812 -1.031 1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.462 0.519 1.954 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.304 -1.633 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.054 -1.714 2.073 1.00 0.00 H new ATOM 1556 N SER A 99 -5.659 0.886 1.765 1.00 0.00 N ATOM 1557 CA SER A 99 -4.681 1.633 2.548 1.00 0.00 C ATOM 1558 C SER A 99 -3.978 2.677 1.685 1.00 0.00 C ATOM 1559 O SER A 99 -3.799 3.823 2.098 1.00 0.00 O ATOM 1560 CB SER A 99 -3.650 0.681 3.158 1.00 0.00 C ATOM 1561 OG SER A 99 -3.143 1.193 4.378 1.00 0.00 O ATOM 0 H SER A 99 -5.717 -0.105 1.998 1.00 0.00 H new ATOM 0 HA SER A 99 -5.210 2.147 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.107 -0.293 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.831 0.528 2.455 1.00 0.00 H new ATOM 0 HG SER A 99 -3.517 0.683 5.127 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.582 2.272 0.483 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.899 3.171 -0.441 1.00 0.00 C ATOM 1569 C LYS A 100 -3.707 4.447 -0.655 1.00 0.00 C ATOM 1570 O LYS A 100 -3.229 5.547 -0.382 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.663 2.473 -1.782 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.631 3.166 -2.655 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.573 2.552 -4.043 1.00 0.00 C ATOM 1574 CE LYS A 100 -1.150 3.575 -5.087 1.00 0.00 C ATOM 1575 NZ LYS A 100 -2.291 4.429 -5.520 1.00 0.00 N ATOM 0 H LYS A 100 -3.722 1.327 0.126 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.937 3.440 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.341 1.448 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.607 2.417 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.873 4.226 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.650 3.098 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.871 1.718 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.551 2.147 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.359 4.205 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.733 3.060 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.962 5.113 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.035 3.831 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.673 4.940 -4.699 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.933 4.291 -1.143 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.806 5.432 -1.393 1.00 0.00 C ATOM 1591 C GLU A 101 -6.167 6.137 -0.088 1.00 0.00 C ATOM 1592 O GLU A 101 -5.951 7.339 0.059 1.00 0.00 O ATOM 1593 CB GLU A 101 -7.080 4.980 -2.110 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.817 4.141 -3.349 1.00 0.00 C ATOM 1595 CD GLU A 101 -8.080 3.521 -3.913 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -9.143 4.173 -3.841 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -8.006 2.385 -4.427 1.00 0.00 O ATOM 0 H GLU A 101 -5.344 3.386 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.269 6.135 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.693 4.405 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.659 5.859 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.350 4.764 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.107 3.351 -3.104 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.717 5.379 0.855 1.00 0.00 N ATOM 1605 CA GLU A 102 -7.109 5.931 2.146 1.00 0.00 C ATOM 1606 C GLU A 102 -5.979 6.763 2.747 1.00 0.00 C ATOM 1607 O GLU A 102 -6.206 7.595 3.625 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.499 4.808 3.109 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.733 4.035 2.676 1.00 0.00 C ATOM 1610 CD GLU A 102 -10.010 4.837 2.836 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -10.052 5.713 3.726 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.966 4.590 2.072 1.00 0.00 O ATOM 0 H GLU A 102 -6.901 4.381 0.749 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.971 6.580 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.662 4.116 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.675 5.233 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.623 3.738 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.808 3.119 3.262 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.762 6.530 2.268 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.597 7.257 2.757 1.00 0.00 C ATOM 1621 C ALA A 103 -3.317 8.486 1.898 1.00 0.00 C ATOM 1622 O ALA A 103 -2.760 9.475 2.375 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.380 6.345 2.788 1.00 0.00 C ATOM 0 H ALA A 103 -4.557 5.844 1.542 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.810 7.595 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.518 6.901 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.575 5.500 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.174 5.979 1.782 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.707 8.416 0.630 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.497 9.524 -0.297 1.00 0.00 C ATOM 1631 C LEU A 104 -4.608 10.561 -0.165 1.00 0.00 C ATOM 1632 O LEU A 104 -4.345 11.762 -0.088 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.435 9.006 -1.735 1.00 0.00 C ATOM 1634 CG LEU A 104 -2.090 8.433 -2.184 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -2.262 7.591 -3.439 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -1.086 9.551 -2.423 1.00 0.00 C ATOM 0 H LEU A 104 -4.170 7.605 0.220 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.549 10.000 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.195 8.234 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.702 9.822 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.706 7.792 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.295 7.191 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.947 6.768 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.668 8.210 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.135 9.124 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.462 10.218 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.940 10.113 -1.500 1.00 0.00 H new ATOM 1648 N THR A 105 -5.850 10.090 -0.137 1.00 0.00 N ATOM 1649 CA THR A 105 -7.001 10.976 -0.013 1.00 0.00 C ATOM 1650 C THR A 105 -6.941 11.778 1.282 1.00 0.00 C ATOM 1651 O THR A 105 -7.523 12.857 1.382 1.00 0.00 O ATOM 1652 CB THR A 105 -8.324 10.188 -0.054 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.433 11.087 0.051 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.382 9.169 1.074 1.00 0.00 C ATOM 0 H THR A 105 -6.085 9.099 -0.199 1.00 0.00 H new ATOM 0 HA THR A 105 -6.967 11.659 -0.862 1.00 0.00 H new ATOM 0 HB THR A 105 -8.376 9.657 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.270 10.578 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.325 8.625 1.025 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.553 8.468 0.974 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.309 9.683 2.033 1.00 0.00 H new