USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 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 63 ASN : amide:sc= -6.13! C(o=-6!,f=-5.6!) USER MOD Set 1.2: A 89 TYR OH : rot 98:sc= 0.0926 USER MOD Set 2.1: A 58 CYS SG : rot -70:sc= -0.679 USER MOD Set 2.2: A 74 SER OG : rot 124:sc= 1.34 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0.0594 (180deg=0.0366) USER MOD Single : A 13 LYS NZ :NH3+ 141:sc= -0.242 (180deg=-0.563) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -150:sc= -1.38 USER MOD Single : A 33 SER OG : rot 180:sc= -0.934 USER MOD Single : A 35 LYS NZ :NH3+ -127:sc= -0.472 (180deg=-2.08!) USER MOD Single : A 36 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.23) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0372) USER MOD Single : A 54 ASN :FLIP amide:sc= -2.77 F(o=-4.6!,f=-2.8) USER MOD Single : A 57 THR OG1 : rot -30:sc= 1.17 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -118:sc= -0.0162 (180deg=-0.218) USER MOD Single : A 69 SER OG : rot 21:sc= 0.828 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0.069) 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.402 K(o=-0.4,f=-4.8!) USER MOD Single : A 87 GLN : amide:sc= -1.55 K(o=-1.5,f=-3) USER MOD Single : A 94 SER OG : rot 84:sc= 0.765 USER MOD Single : A 97 THR OG1 : rot 86:sc= 0.766 USER MOD Single : A 98 ASN : amide:sc= -3.35! C(o=-3.4!,f=-4.5!) USER MOD Single : A 99 SER OG : rot 114:sc= -0.0502 USER MOD Single : A 100 LYS NZ :NH3+ -120:sc= 0 (180deg=-1.38) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.361 -3.216 2.562 1.00 0.00 N ATOM 67 CA TYR A 8 -12.956 -4.220 3.538 1.00 0.00 C ATOM 68 C TYR A 8 -12.223 -3.576 4.711 1.00 0.00 C ATOM 69 O TYR A 8 -12.473 -3.905 5.870 1.00 0.00 O ATOM 70 CB TYR A 8 -12.061 -5.271 2.878 1.00 0.00 C ATOM 71 CG TYR A 8 -12.830 -6.358 2.163 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.944 -6.055 1.389 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.442 -7.689 2.259 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.650 -7.045 0.734 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.141 -8.686 1.606 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.245 -8.359 0.846 1.00 0.00 C ATOM 77 OH TYR A 8 -14.944 -9.348 0.194 1.00 0.00 O ATOM 0 HA TYR A 8 -13.856 -4.704 3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.399 -4.777 2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.427 -5.726 3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.263 -5.027 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.579 -7.949 2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.514 -6.792 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.825 -9.715 1.690 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.528 -10.217 0.375 1.00 0.00 H new ATOM 87 N GLY A 9 -11.317 -2.655 4.401 1.00 0.00 N ATOM 88 CA GLY A 9 -10.561 -1.978 5.438 1.00 0.00 C ATOM 89 C GLY A 9 -9.164 -1.600 4.986 1.00 0.00 C ATOM 90 O GLY A 9 -8.619 -2.205 4.063 1.00 0.00 O ATOM 0 H GLY A 9 -11.093 -2.365 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.096 -1.079 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.494 -2.623 6.314 1.00 0.00 H new ATOM 94 N SER A 10 -8.584 -0.597 5.636 1.00 0.00 N ATOM 95 CA SER A 10 -7.245 -0.136 5.292 1.00 0.00 C ATOM 96 C SER A 10 -6.185 -0.936 6.043 1.00 0.00 C ATOM 97 O SER A 10 -5.085 -1.157 5.537 1.00 0.00 O ATOM 98 CB SER A 10 -7.097 1.353 5.612 1.00 0.00 C ATOM 99 OG SER A 10 -7.029 1.570 7.011 1.00 0.00 O ATOM 0 H SER A 10 -9.021 -0.088 6.404 1.00 0.00 H new ATOM 0 HA SER A 10 -7.100 -0.287 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.197 1.743 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.941 1.903 5.196 1.00 0.00 H new ATOM 0 HG SER A 10 -6.933 2.529 7.189 1.00 0.00 H new ATOM 105 N GLU A 11 -6.526 -1.368 7.253 1.00 0.00 N ATOM 106 CA GLU A 11 -5.604 -2.144 8.074 1.00 0.00 C ATOM 107 C GLU A 11 -6.037 -3.605 8.148 1.00 0.00 C ATOM 108 O GLU A 11 -7.230 -3.910 8.182 1.00 0.00 O ATOM 109 CB GLU A 11 -5.521 -1.553 9.484 1.00 0.00 C ATOM 110 CG GLU A 11 -4.730 -2.411 10.457 1.00 0.00 C ATOM 111 CD GLU A 11 -5.210 -2.263 11.888 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.316 -2.756 12.196 1.00 0.00 O ATOM 113 OE2 GLU A 11 -4.482 -1.655 12.699 1.00 0.00 O ATOM 0 H GLU A 11 -7.433 -1.194 7.686 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.619 -2.099 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.064 -0.565 9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.531 -1.415 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.806 -3.457 10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.676 -2.139 10.401 1.00 0.00 H new ATOM 120 N LYS A 12 -5.061 -4.505 8.171 1.00 0.00 N ATOM 121 CA LYS A 12 -5.339 -5.935 8.241 1.00 0.00 C ATOM 122 C LYS A 12 -4.092 -6.712 8.651 1.00 0.00 C ATOM 123 O LYS A 12 -2.984 -6.408 8.208 1.00 0.00 O ATOM 124 CB LYS A 12 -5.848 -6.443 6.890 1.00 0.00 C ATOM 125 CG LYS A 12 -6.029 -7.950 6.836 1.00 0.00 C ATOM 126 CD LYS A 12 -6.590 -8.396 5.496 1.00 0.00 C ATOM 127 CE LYS A 12 -6.297 -9.865 5.231 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.184 -10.760 6.024 1.00 0.00 N ATOM 0 H LYS A 12 -4.069 -4.270 8.142 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.109 -6.094 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.801 -5.963 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.148 -6.141 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.071 -8.439 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.699 -8.266 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.667 -8.229 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.160 -7.789 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.425 -10.075 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.256 -10.077 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.085 -11.737 5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.915 -10.715 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.172 -10.454 5.916 1.00 0.00 H new ATOM 142 N LYS A 13 -4.280 -7.718 9.498 1.00 0.00 N ATOM 143 CA LYS A 13 -3.172 -8.542 9.966 1.00 0.00 C ATOM 144 C LYS A 13 -3.482 -10.025 9.786 1.00 0.00 C ATOM 145 O LYS A 13 -4.570 -10.487 10.126 1.00 0.00 O ATOM 146 CB LYS A 13 -2.876 -8.247 11.438 1.00 0.00 C ATOM 147 CG LYS A 13 -1.831 -9.167 12.045 1.00 0.00 C ATOM 148 CD LYS A 13 -1.570 -8.829 13.503 1.00 0.00 C ATOM 149 CE LYS A 13 -0.457 -7.803 13.646 1.00 0.00 C ATOM 150 NZ LYS A 13 0.873 -8.373 13.293 1.00 0.00 N ATOM 0 H LYS A 13 -5.190 -7.983 9.875 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.293 -8.298 9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.538 -7.215 11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.800 -8.333 12.010 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.165 -10.201 11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.902 -9.087 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.483 -8.443 13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.303 -9.736 14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.667 -6.948 13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.433 -7.434 14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.428 -7.663 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.378 -8.639 14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.743 -9.215 12.696 1.00 0.00 H new ATOM 164 N GLY A 14 -2.516 -10.766 9.251 1.00 0.00 N ATOM 165 CA GLY A 14 -2.706 -12.189 9.037 1.00 0.00 C ATOM 166 C GLY A 14 -1.442 -12.877 8.562 1.00 0.00 C ATOM 167 O GLY A 14 -0.362 -12.655 9.110 1.00 0.00 O ATOM 0 H GLY A 14 -1.606 -10.407 8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.041 -12.651 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.497 -12.341 8.302 1.00 0.00 H new ATOM 171 N TYR A 15 -1.576 -13.716 7.541 1.00 0.00 N ATOM 172 CA TYR A 15 -0.436 -14.443 6.994 1.00 0.00 C ATOM 173 C TYR A 15 -0.541 -14.560 5.477 1.00 0.00 C ATOM 174 O TYR A 15 -1.628 -14.454 4.908 1.00 0.00 O ATOM 175 CB TYR A 15 -0.345 -15.836 7.619 1.00 0.00 C ATOM 176 CG TYR A 15 0.445 -15.871 8.908 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.068 -15.319 10.075 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.705 -16.455 8.958 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.651 -15.348 11.255 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.430 -16.490 10.133 1.00 0.00 C ATOM 181 CZ TYR A 15 1.899 -15.935 11.279 1.00 0.00 C ATOM 182 OH TYR A 15 2.618 -15.967 12.451 1.00 0.00 O ATOM 0 H TYR A 15 -2.463 -13.910 7.075 1.00 0.00 H new ATOM 0 HA TYR A 15 0.468 -13.884 7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.352 -16.206 7.810 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.114 -16.517 6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.045 -14.859 10.060 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.125 -16.889 8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.238 -14.913 12.153 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.407 -16.949 10.155 1.00 0.00 H new ATOM 0 HH TYR A 15 3.475 -16.416 12.297 1.00 0.00 H new ATOM 192 N LEU A 16 0.596 -14.780 4.827 1.00 0.00 N ATOM 193 CA LEU A 16 0.634 -14.913 3.374 1.00 0.00 C ATOM 194 C LEU A 16 1.823 -15.762 2.936 1.00 0.00 C ATOM 195 O LEU A 16 2.814 -15.883 3.659 1.00 0.00 O ATOM 196 CB LEU A 16 0.709 -13.534 2.718 1.00 0.00 C ATOM 197 CG LEU A 16 -0.620 -12.795 2.555 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.381 -11.349 2.149 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.500 -13.500 1.533 1.00 0.00 C ATOM 0 H LEU A 16 1.504 -14.870 5.282 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.282 -15.411 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.379 -12.909 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.162 -13.646 1.733 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.137 -12.800 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.338 -10.839 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.210 -10.849 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.157 -11.321 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.441 -12.961 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.990 -13.527 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.700 -14.518 1.866 1.00 0.00 H new ATOM 211 N LEU A 17 1.720 -16.348 1.748 1.00 0.00 N ATOM 212 CA LEU A 17 2.788 -17.184 1.212 1.00 0.00 C ATOM 213 C LEU A 17 3.798 -16.346 0.434 1.00 0.00 C ATOM 214 O LEU A 17 3.429 -15.404 -0.268 1.00 0.00 O ATOM 215 CB LEU A 17 2.205 -18.271 0.307 1.00 0.00 C ATOM 216 CG LEU A 17 1.092 -19.125 0.914 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.346 -19.882 -0.173 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.661 -20.090 1.944 1.00 0.00 C ATOM 0 H LEU A 17 0.908 -16.259 1.138 1.00 0.00 H new ATOM 0 HA LEU A 17 3.303 -17.654 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.820 -17.796 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.015 -18.932 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 17 0.386 -18.463 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.442 -20.484 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.095 -19.173 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.040 -20.533 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.854 -20.690 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.389 -20.746 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.148 -19.527 2.740 1.00 0.00 H new ATOM 230 N LYS A 18 5.073 -16.696 0.563 1.00 0.00 N ATOM 231 CA LYS A 18 6.137 -15.979 -0.130 1.00 0.00 C ATOM 232 C LYS A 18 7.018 -16.942 -0.919 1.00 0.00 C ATOM 233 O LYS A 18 7.444 -17.975 -0.402 1.00 0.00 O ATOM 234 CB LYS A 18 6.989 -15.196 0.871 1.00 0.00 C ATOM 235 CG LYS A 18 7.696 -13.997 0.263 1.00 0.00 C ATOM 236 CD LYS A 18 8.288 -13.096 1.333 1.00 0.00 C ATOM 237 CE LYS A 18 9.320 -12.143 0.751 1.00 0.00 C ATOM 238 NZ LYS A 18 10.661 -12.780 0.636 1.00 0.00 N ATOM 0 H LYS A 18 5.395 -17.472 1.141 1.00 0.00 H new ATOM 0 HA LYS A 18 5.675 -15.281 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.353 -14.856 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.733 -15.865 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.487 -14.340 -0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.992 -13.428 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.492 -12.525 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.751 -13.706 2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.991 -11.809 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.392 -11.257 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.336 -12.098 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.986 -13.076 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.598 -13.611 0.014 1.00 0.00 H new ATOM 252 N LYS A 19 7.289 -16.597 -2.173 1.00 0.00 N ATOM 253 CA LYS A 19 8.122 -17.429 -3.033 1.00 0.00 C ATOM 254 C LYS A 19 9.602 -17.143 -2.799 1.00 0.00 C ATOM 255 O LYS A 19 10.069 -16.024 -3.013 1.00 0.00 O ATOM 256 CB LYS A 19 7.772 -17.189 -4.503 1.00 0.00 C ATOM 257 CG LYS A 19 7.995 -18.404 -5.388 1.00 0.00 C ATOM 258 CD LYS A 19 8.172 -18.008 -6.844 1.00 0.00 C ATOM 259 CE LYS A 19 6.838 -17.688 -7.501 1.00 0.00 C ATOM 260 NZ LYS A 19 6.967 -17.544 -8.978 1.00 0.00 N ATOM 0 H LYS A 19 6.943 -15.746 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 19 7.928 -18.473 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.728 -16.885 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.372 -16.360 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.877 -18.946 -5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.148 -19.083 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.828 -17.140 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.660 -18.818 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.123 -18.479 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.438 -16.766 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.036 -17.326 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.630 -16.773 -9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.325 -18.432 -9.383 1.00 0.00 H new ATOM 385 N TRP A 27 6.913 -22.052 -2.260 1.00 0.00 N ATOM 386 CA TRP A 27 6.029 -21.202 -1.470 1.00 0.00 C ATOM 387 C TRP A 27 6.092 -21.575 0.007 1.00 0.00 C ATOM 388 O TRP A 27 5.876 -22.730 0.373 1.00 0.00 O ATOM 389 CB TRP A 27 4.590 -21.316 -1.977 1.00 0.00 C ATOM 390 CG TRP A 27 4.402 -20.769 -3.360 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.488 -21.461 -4.534 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.099 -19.415 -3.711 1.00 0.00 C ATOM 393 NE1 TRP A 27 4.256 -20.619 -5.594 1.00 0.00 N ATOM 394 CE2 TRP A 27 4.014 -19.358 -5.116 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.888 -18.245 -2.976 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.729 -18.178 -5.798 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.606 -17.074 -3.654 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.528 -17.047 -5.053 1.00 0.00 C ATOM 0 HA TRP A 27 6.364 -20.171 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.290 -22.364 -1.965 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.928 -20.787 -1.292 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.706 -22.515 -4.617 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.263 -20.889 -6.578 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.944 -18.256 -1.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.669 -18.156 -6.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.443 -16.164 -3.096 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.305 -16.116 -5.553 1.00 0.00 H new ATOM 409 N GLN A 28 6.389 -20.591 0.849 1.00 0.00 N ATOM 410 CA GLN A 28 6.481 -20.818 2.286 1.00 0.00 C ATOM 411 C GLN A 28 5.628 -19.812 3.052 1.00 0.00 C ATOM 412 O GLN A 28 5.748 -18.603 2.851 1.00 0.00 O ATOM 413 CB GLN A 28 7.936 -20.726 2.747 1.00 0.00 C ATOM 414 CG GLN A 28 8.814 -21.850 2.219 1.00 0.00 C ATOM 415 CD GLN A 28 8.687 -23.121 3.034 1.00 0.00 C ATOM 416 OE1 GLN A 28 9.509 -23.397 3.909 1.00 0.00 O ATOM 417 NE2 GLN A 28 7.653 -23.905 2.751 1.00 0.00 N ATOM 0 H GLN A 28 6.570 -19.629 0.561 1.00 0.00 H new ATOM 0 HA GLN A 28 6.104 -21.819 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.351 -19.771 2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.964 -20.735 3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.547 -22.059 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.854 -21.525 2.220 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.996 -23.638 2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.516 -24.774 3.267 1.00 0.00 H new ATOM 426 N ARG A 29 4.768 -20.318 3.929 1.00 0.00 N ATOM 427 CA ARG A 29 3.894 -19.463 4.724 1.00 0.00 C ATOM 428 C ARG A 29 4.709 -18.475 5.554 1.00 0.00 C ATOM 429 O ARG A 29 5.707 -18.844 6.172 1.00 0.00 O ATOM 430 CB ARG A 29 3.013 -20.312 5.642 1.00 0.00 C ATOM 431 CG ARG A 29 1.738 -19.610 6.082 1.00 0.00 C ATOM 432 CD ARG A 29 1.281 -20.090 7.450 1.00 0.00 C ATOM 433 NE ARG A 29 -0.132 -19.807 7.686 1.00 0.00 N ATOM 434 CZ ARG A 29 -1.122 -20.472 7.101 1.00 0.00 C ATOM 435 NH1 ARG A 29 -0.855 -21.452 6.249 1.00 0.00 N ATOM 436 NH2 ARG A 29 -2.383 -20.155 7.366 1.00 0.00 N ATOM 0 H ARG A 29 4.657 -21.316 4.107 1.00 0.00 H new ATOM 0 HA ARG A 29 3.258 -18.900 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.750 -21.236 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.587 -20.592 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.906 -18.533 6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.951 -19.791 5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.455 -21.163 7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.881 -19.608 8.222 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.372 -19.058 8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.113 -21.697 6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.618 -21.961 5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.593 -19.400 8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.143 -20.666 6.916 1.00 0.00 H new ATOM 450 N ARG A 30 4.275 -17.219 5.561 1.00 0.00 N ATOM 451 CA ARG A 30 4.965 -16.177 6.313 1.00 0.00 C ATOM 452 C ARG A 30 3.966 -15.243 6.989 1.00 0.00 C ATOM 453 O ARG A 30 2.797 -15.183 6.606 1.00 0.00 O ATOM 454 CB ARG A 30 5.885 -15.376 5.390 1.00 0.00 C ATOM 455 CG ARG A 30 7.107 -14.807 6.093 1.00 0.00 C ATOM 456 CD ARG A 30 8.133 -15.889 6.389 1.00 0.00 C ATOM 457 NE ARG A 30 7.916 -16.507 7.694 1.00 0.00 N ATOM 458 CZ ARG A 30 8.495 -17.640 8.076 1.00 0.00 C ATOM 459 NH1 ARG A 30 9.321 -18.276 7.257 1.00 0.00 N ATOM 460 NH2 ARG A 30 8.247 -18.139 9.280 1.00 0.00 N ATOM 0 H ARG A 30 3.450 -16.898 5.055 1.00 0.00 H new ATOM 0 HA ARG A 30 5.566 -16.658 7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.213 -16.017 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.318 -14.558 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.560 -14.035 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.803 -14.328 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.087 -16.654 5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.134 -15.459 6.354 1.00 0.00 H new ATOM 0 HE ARG A 30 7.285 -16.043 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.514 -17.896 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.764 -19.146 7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.612 -17.653 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.692 -19.009 9.573 1.00 0.00 H new ATOM 474 N LYS A 31 4.433 -14.515 7.998 1.00 0.00 N ATOM 475 CA LYS A 31 3.582 -13.583 8.728 1.00 0.00 C ATOM 476 C LYS A 31 3.569 -12.215 8.052 1.00 0.00 C ATOM 477 O LYS A 31 4.620 -11.670 7.712 1.00 0.00 O ATOM 478 CB LYS A 31 4.065 -13.444 10.174 1.00 0.00 C ATOM 479 CG LYS A 31 3.038 -12.817 11.101 1.00 0.00 C ATOM 480 CD LYS A 31 3.701 -12.124 12.279 1.00 0.00 C ATOM 481 CE LYS A 31 2.682 -11.390 13.138 1.00 0.00 C ATOM 482 NZ LYS A 31 1.925 -12.323 14.019 1.00 0.00 N ATOM 0 H LYS A 31 5.397 -14.553 8.329 1.00 0.00 H new ATOM 0 HA LYS A 31 2.567 -13.980 8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.332 -14.430 10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.972 -12.840 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.436 -12.097 10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.358 -13.587 11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.228 -12.860 12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.447 -11.418 11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.192 -10.646 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.985 -10.852 12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.241 -11.785 14.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.418 -13.018 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.587 -12.818 14.650 1.00 0.00 H new ATOM 496 N CYS A 32 2.375 -11.666 7.862 1.00 0.00 N ATOM 497 CA CYS A 32 2.225 -10.361 7.228 1.00 0.00 C ATOM 498 C CYS A 32 1.399 -9.423 8.102 1.00 0.00 C ATOM 499 O CYS A 32 0.620 -9.869 8.944 1.00 0.00 O ATOM 500 CB CYS A 32 1.568 -10.511 5.855 1.00 0.00 C ATOM 501 SG CYS A 32 2.695 -11.058 4.552 1.00 0.00 S ATOM 0 H CYS A 32 1.496 -12.104 8.138 1.00 0.00 H new ATOM 0 HA CYS A 32 3.218 -9.929 7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.747 -11.224 5.933 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.133 -9.554 5.566 1.00 0.00 H new ATOM 0 HG CYS A 32 2.303 -10.578 3.409 1.00 0.00 H new ATOM 507 N SER A 33 1.576 -8.122 7.896 1.00 0.00 N ATOM 508 CA SER A 33 0.851 -7.120 8.669 1.00 0.00 C ATOM 509 C SER A 33 0.793 -5.793 7.919 1.00 0.00 C ATOM 510 O SER A 33 1.808 -5.301 7.425 1.00 0.00 O ATOM 511 CB SER A 33 1.513 -6.920 10.033 1.00 0.00 C ATOM 512 OG SER A 33 2.883 -6.586 9.891 1.00 0.00 O ATOM 0 H SER A 33 2.215 -7.737 7.200 1.00 0.00 H new ATOM 0 HA SER A 33 -0.168 -7.478 8.817 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.997 -6.130 10.579 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.417 -7.831 10.624 1.00 0.00 H new ATOM 0 HG SER A 33 3.283 -6.462 10.777 1.00 0.00 H new ATOM 518 N VAL A 34 -0.402 -5.217 7.839 1.00 0.00 N ATOM 519 CA VAL A 34 -0.594 -3.946 7.152 1.00 0.00 C ATOM 520 C VAL A 34 -1.230 -2.912 8.074 1.00 0.00 C ATOM 521 O VAL A 34 -2.318 -3.126 8.608 1.00 0.00 O ATOM 522 CB VAL A 34 -1.475 -4.112 5.900 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.109 -2.785 5.512 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.662 -4.680 4.747 1.00 0.00 C ATOM 0 H VAL A 34 -1.252 -5.611 8.242 1.00 0.00 H new ATOM 0 HA VAL A 34 0.394 -3.599 6.849 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.275 -4.815 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.728 -2.923 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.728 -2.423 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.327 -2.057 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.301 -4.790 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.160 -4.004 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.262 -5.654 5.029 1.00 0.00 H new ATOM 534 N LYS A 35 -0.544 -1.789 8.257 1.00 0.00 N ATOM 535 CA LYS A 35 -1.041 -0.719 9.114 1.00 0.00 C ATOM 536 C LYS A 35 -0.426 0.621 8.724 1.00 0.00 C ATOM 537 O LYS A 35 0.763 0.704 8.420 1.00 0.00 O ATOM 538 CB LYS A 35 -0.732 -1.026 10.581 1.00 0.00 C ATOM 539 CG LYS A 35 -1.623 -0.282 11.560 1.00 0.00 C ATOM 540 CD LYS A 35 -1.300 -0.650 12.998 1.00 0.00 C ATOM 541 CE LYS A 35 0.046 -0.088 13.429 1.00 0.00 C ATOM 542 NZ LYS A 35 1.162 -1.024 13.121 1.00 0.00 N ATOM 0 H LYS A 35 0.359 -1.596 7.823 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.121 -0.655 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.838 -2.098 10.749 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.308 -0.773 10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.500 0.792 11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.668 -0.512 11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.081 -0.270 13.656 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.293 -1.735 13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.220 0.863 12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.028 0.116 14.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.721 -1.192 13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.774 -1.926 12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.771 -0.608 12.388 1.00 0.00 H new ATOM 556 N ASN A 36 -1.244 1.669 8.736 1.00 0.00 N ATOM 557 CA ASN A 36 -0.780 3.005 8.384 1.00 0.00 C ATOM 558 C ASN A 36 -0.252 3.039 6.953 1.00 0.00 C ATOM 559 O ASN A 36 0.596 3.862 6.611 1.00 0.00 O ATOM 560 CB ASN A 36 0.314 3.459 9.353 1.00 0.00 C ATOM 561 CG ASN A 36 -0.209 3.660 10.762 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.254 4.277 10.966 1.00 0.00 O ATOM 563 ND2 ASN A 36 0.518 3.137 11.743 1.00 0.00 N ATOM 0 H ASN A 36 -2.232 1.618 8.986 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.627 3.687 8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.113 2.718 9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.750 4.391 8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.216 3.239 12.712 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.378 2.633 11.527 1.00 0.00 H new ATOM 570 N GLY A 37 -0.762 2.137 6.119 1.00 0.00 N ATOM 571 CA GLY A 37 -0.331 2.081 4.734 1.00 0.00 C ATOM 572 C GLY A 37 1.056 1.488 4.582 1.00 0.00 C ATOM 573 O GLY A 37 1.791 1.840 3.659 1.00 0.00 O ATOM 0 H GLY A 37 -1.465 1.445 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.042 1.487 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.341 3.086 4.313 1.00 0.00 H new ATOM 577 N ILE A 38 1.415 0.586 5.490 1.00 0.00 N ATOM 578 CA ILE A 38 2.723 -0.056 5.452 1.00 0.00 C ATOM 579 C ILE A 38 2.603 -1.561 5.668 1.00 0.00 C ATOM 580 O ILE A 38 1.893 -2.016 6.566 1.00 0.00 O ATOM 581 CB ILE A 38 3.668 0.530 6.517 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.677 2.058 6.438 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.075 -0.022 6.339 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.351 2.595 5.195 1.00 0.00 C ATOM 0 H ILE A 38 0.819 0.284 6.260 1.00 0.00 H new ATOM 0 HA ILE A 38 3.140 0.135 4.463 1.00 0.00 H new ATOM 0 HB ILE A 38 3.305 0.238 7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.650 2.421 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.184 2.456 7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.731 0.402 7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.056 -1.107 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.447 0.243 5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.320 3.685 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.388 2.262 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.831 2.226 4.311 1.00 0.00 H new ATOM 596 N LEU A 39 3.302 -2.329 4.840 1.00 0.00 N ATOM 597 CA LEU A 39 3.276 -3.784 4.941 1.00 0.00 C ATOM 598 C LEU A 39 4.578 -4.312 5.535 1.00 0.00 C ATOM 599 O LEU A 39 5.637 -4.231 4.910 1.00 0.00 O ATOM 600 CB LEU A 39 3.042 -4.406 3.563 1.00 0.00 C ATOM 601 CG LEU A 39 3.369 -5.894 3.434 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.468 -6.719 4.339 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.233 -6.346 1.987 1.00 0.00 C ATOM 0 H LEU A 39 3.894 -1.969 4.091 1.00 0.00 H new ATOM 0 HA LEU A 39 2.456 -4.063 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.996 -4.260 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.639 -3.859 2.833 1.00 0.00 H new ATOM 0 HG LEU A 39 4.402 -6.048 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.715 -7.775 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.615 -6.414 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.427 -6.560 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.469 -7.408 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.211 -6.178 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.921 -5.777 1.362 1.00 0.00 H new ATOM 615 N THR A 40 4.493 -4.856 6.745 1.00 0.00 N ATOM 616 CA THR A 40 5.664 -5.398 7.423 1.00 0.00 C ATOM 617 C THR A 40 5.748 -6.910 7.249 1.00 0.00 C ATOM 618 O THR A 40 4.818 -7.637 7.599 1.00 0.00 O ATOM 619 CB THR A 40 5.646 -5.066 8.927 1.00 0.00 C ATOM 620 OG1 THR A 40 5.352 -3.678 9.118 1.00 0.00 O ATOM 621 CG2 THR A 40 6.983 -5.400 9.571 1.00 0.00 C ATOM 0 H THR A 40 3.625 -4.933 7.276 1.00 0.00 H new ATOM 0 HA THR A 40 6.538 -4.933 6.966 1.00 0.00 H new ATOM 0 HB THR A 40 4.872 -5.670 9.401 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.341 -3.475 10.077 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.946 -5.157 10.633 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.190 -6.463 9.449 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.772 -4.819 9.093 1.00 0.00 H new ATOM 629 N ILE A 41 6.868 -7.377 6.707 1.00 0.00 N ATOM 630 CA ILE A 41 7.073 -8.804 6.489 1.00 0.00 C ATOM 631 C ILE A 41 8.121 -9.361 7.446 1.00 0.00 C ATOM 632 O ILE A 41 9.295 -8.997 7.377 1.00 0.00 O ATOM 633 CB ILE A 41 7.509 -9.095 5.041 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.565 -8.408 4.053 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.547 -10.595 4.791 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.197 -8.128 2.708 1.00 0.00 C ATOM 0 H ILE A 41 7.647 -6.789 6.411 1.00 0.00 H new ATOM 0 HA ILE A 41 6.117 -9.293 6.677 1.00 0.00 H new ATOM 0 HB ILE A 41 8.512 -8.696 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.685 -9.035 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.220 -7.469 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.857 -10.785 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.256 -11.060 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.555 -11.016 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.470 -7.640 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.060 -7.476 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.517 -9.066 2.254 1.00 0.00 H new ATOM 648 N SER A 42 7.690 -10.247 8.338 1.00 0.00 N ATOM 649 CA SER A 42 8.591 -10.854 9.311 1.00 0.00 C ATOM 650 C SER A 42 9.300 -12.065 8.713 1.00 0.00 C ATOM 651 O SER A 42 8.671 -12.925 8.095 1.00 0.00 O ATOM 652 CB SER A 42 7.818 -11.268 10.564 1.00 0.00 C ATOM 653 OG SER A 42 7.751 -10.204 11.497 1.00 0.00 O ATOM 0 H SER A 42 6.722 -10.561 8.407 1.00 0.00 H new ATOM 0 HA SER A 42 9.343 -10.114 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.810 -11.577 10.288 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.301 -12.130 11.025 1.00 0.00 H new ATOM 0 HG SER A 42 7.250 -10.494 12.288 1.00 0.00 H new ATOM 767 N PRO A 50 12.802 -7.649 9.493 1.00 0.00 N ATOM 768 CA PRO A 50 11.562 -7.535 8.719 1.00 0.00 C ATOM 769 C PRO A 50 11.748 -6.718 7.445 1.00 0.00 C ATOM 770 O PRO A 50 12.830 -6.194 7.184 1.00 0.00 O ATOM 771 CB PRO A 50 10.609 -6.819 9.679 1.00 0.00 C ATOM 772 CG PRO A 50 11.499 -6.055 10.597 1.00 0.00 C ATOM 773 CD PRO A 50 12.745 -6.883 10.750 1.00 0.00 C ATOM 0 HA PRO A 50 11.200 -8.507 8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.931 -6.156 9.142 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.991 -7.530 10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.731 -5.072 10.187 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.018 -5.892 11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.629 -6.259 10.881 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.687 -7.539 11.618 1.00 0.00 H new ATOM 781 N ALA A 51 10.685 -6.615 6.654 1.00 0.00 N ATOM 782 CA ALA A 51 10.730 -5.860 5.408 1.00 0.00 C ATOM 783 C ALA A 51 9.527 -4.930 5.285 1.00 0.00 C ATOM 784 O ALA A 51 8.412 -5.374 5.010 1.00 0.00 O ATOM 785 CB ALA A 51 10.791 -6.807 4.219 1.00 0.00 C ATOM 0 H ALA A 51 9.782 -7.045 6.854 1.00 0.00 H new ATOM 0 HA ALA A 51 11.631 -5.246 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.824 -6.229 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.685 -7.426 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.907 -7.445 4.216 1.00 0.00 H new ATOM 791 N LYS A 52 9.760 -3.639 5.491 1.00 0.00 N ATOM 792 CA LYS A 52 8.696 -2.646 5.403 1.00 0.00 C ATOM 793 C LYS A 52 8.601 -2.074 3.992 1.00 0.00 C ATOM 794 O LYS A 52 9.525 -1.414 3.515 1.00 0.00 O ATOM 795 CB LYS A 52 8.940 -1.516 6.407 1.00 0.00 C ATOM 796 CG LYS A 52 8.598 -1.891 7.839 1.00 0.00 C ATOM 797 CD LYS A 52 8.312 -0.661 8.684 1.00 0.00 C ATOM 798 CE LYS A 52 8.687 -0.886 10.140 1.00 0.00 C ATOM 799 NZ LYS A 52 10.161 -0.845 10.346 1.00 0.00 N ATOM 0 H LYS A 52 10.677 -3.255 5.720 1.00 0.00 H new ATOM 0 HA LYS A 52 7.753 -3.138 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.987 -1.218 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.348 -0.648 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.729 -2.549 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.425 -2.450 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.869 0.189 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.254 -0.408 8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.213 -0.125 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.301 -1.851 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.368 -0.798 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.592 -1.702 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.554 -0.006 9.874 1.00 0.00 H new ATOM 813 N LEU A 53 7.478 -2.330 3.329 1.00 0.00 N ATOM 814 CA LEU A 53 7.262 -1.839 1.973 1.00 0.00 C ATOM 815 C LEU A 53 6.180 -0.764 1.949 1.00 0.00 C ATOM 816 O LEU A 53 5.048 -0.999 2.368 1.00 0.00 O ATOM 817 CB LEU A 53 6.870 -2.993 1.048 1.00 0.00 C ATOM 818 CG LEU A 53 8.003 -3.931 0.629 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.465 -5.325 0.347 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.727 -3.380 -0.591 1.00 0.00 C ATOM 0 H LEU A 53 6.704 -2.875 3.709 1.00 0.00 H new ATOM 0 HA LEU A 53 8.194 -1.398 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.100 -3.584 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.420 -2.574 0.148 1.00 0.00 H new ATOM 0 HG LEU A 53 8.716 -3.999 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.285 -5.978 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.992 -5.721 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.731 -5.276 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.530 -4.060 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.024 -3.283 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.146 -2.402 -0.354 1.00 0.00 H new ATOM 832 N ASN A 54 6.537 0.417 1.453 1.00 0.00 N ATOM 833 CA ASN A 54 5.596 1.528 1.372 1.00 0.00 C ATOM 834 C ASN A 54 4.580 1.301 0.258 1.00 0.00 C ATOM 835 O ASN A 54 4.914 1.372 -0.926 1.00 0.00 O ATOM 836 CB ASN A 54 6.345 2.841 1.135 1.00 0.00 C ATOM 837 CG ASN A 54 5.622 4.034 1.731 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.213 4.965 0.877 1.00 0.00 O flip ATOM 839 ND2 ASN A 54 5.435 4.118 2.945 1.00 0.00 N flip ATOM 0 H ASN A 54 7.471 0.629 1.101 1.00 0.00 H new ATOM 0 HA ASN A 54 5.061 1.588 2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.343 2.770 1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.473 2.995 0.064 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.767 3.379 3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.948 4.927 3.331 1.00 0.00 H new ATOM 846 N LEU A 55 3.338 1.028 0.643 1.00 0.00 N ATOM 847 CA LEU A 55 2.272 0.790 -0.323 1.00 0.00 C ATOM 848 C LEU A 55 2.119 1.978 -1.269 1.00 0.00 C ATOM 849 O LEU A 55 1.851 1.808 -2.459 1.00 0.00 O ATOM 850 CB LEU A 55 0.950 0.527 0.400 1.00 0.00 C ATOM 851 CG LEU A 55 0.760 -0.884 0.958 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.039 -1.373 1.619 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.398 -0.916 1.945 1.00 0.00 C ATOM 0 H LEU A 55 3.045 0.966 1.618 1.00 0.00 H new ATOM 0 HA LEU A 55 2.538 -0.088 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.861 1.237 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.133 0.736 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 55 0.524 -1.553 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.885 -2.379 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.845 -1.389 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.305 -0.703 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.519 -1.928 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.192 -0.234 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.314 -0.609 1.441 1.00 0.00 H new ATOM 865 N LEU A 56 2.294 3.180 -0.732 1.00 0.00 N ATOM 866 CA LEU A 56 2.178 4.398 -1.528 1.00 0.00 C ATOM 867 C LEU A 56 3.127 4.361 -2.721 1.00 0.00 C ATOM 868 O LEU A 56 2.967 5.116 -3.680 1.00 0.00 O ATOM 869 CB LEU A 56 2.473 5.625 -0.664 1.00 0.00 C ATOM 870 CG LEU A 56 1.884 5.611 0.747 1.00 0.00 C ATOM 871 CD1 LEU A 56 1.992 6.987 1.385 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.435 5.148 0.715 1.00 0.00 C ATOM 0 H LEU A 56 2.517 3.338 0.251 1.00 0.00 H new ATOM 0 HA LEU A 56 1.156 4.462 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.554 5.736 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.100 6.508 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 56 2.456 4.908 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.568 6.957 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.040 7.280 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.446 7.712 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.032 5.144 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.150 5.826 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.384 4.141 0.300 1.00 0.00 H new ATOM 884 N THR A 57 4.117 3.475 -2.656 1.00 0.00 N ATOM 885 CA THR A 57 5.092 3.338 -3.730 1.00 0.00 C ATOM 886 C THR A 57 4.944 1.997 -4.440 1.00 0.00 C ATOM 887 O THR A 57 5.192 1.888 -5.641 1.00 0.00 O ATOM 888 CB THR A 57 6.533 3.470 -3.202 1.00 0.00 C ATOM 889 OG1 THR A 57 6.878 2.316 -2.428 1.00 0.00 O ATOM 890 CG2 THR A 57 6.684 4.722 -2.351 1.00 0.00 C ATOM 0 H THR A 57 4.264 2.842 -1.870 1.00 0.00 H new ATOM 0 HA THR A 57 4.897 4.144 -4.437 1.00 0.00 H new ATOM 0 HB THR A 57 7.205 3.548 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.073 1.955 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.710 4.794 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.448 5.601 -2.951 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.002 4.669 -1.502 1.00 0.00 H new ATOM 898 N CYS A 58 4.539 0.978 -3.690 1.00 0.00 N ATOM 899 CA CYS A 58 4.358 -0.358 -4.247 1.00 0.00 C ATOM 900 C CYS A 58 3.097 -0.423 -5.104 1.00 0.00 C ATOM 901 O CYS A 58 2.131 0.299 -4.859 1.00 0.00 O ATOM 902 CB CYS A 58 4.281 -1.395 -3.126 1.00 0.00 C ATOM 903 SG CYS A 58 5.890 -2.015 -2.583 1.00 0.00 S ATOM 0 H CYS A 58 4.330 1.051 -2.694 1.00 0.00 H new ATOM 0 HA CYS A 58 5.218 -0.581 -4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.767 -0.954 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.675 -2.236 -3.464 1.00 0.00 H new ATOM 0 HG CYS A 58 6.408 -2.755 -3.518 1.00 0.00 H new ATOM 909 N GLN A 59 3.116 -1.291 -6.110 1.00 0.00 N ATOM 910 CA GLN A 59 1.976 -1.449 -7.004 1.00 0.00 C ATOM 911 C GLN A 59 1.353 -2.833 -6.854 1.00 0.00 C ATOM 912 O GLN A 59 1.946 -3.838 -7.246 1.00 0.00 O ATOM 913 CB GLN A 59 2.404 -1.223 -8.455 1.00 0.00 C ATOM 914 CG GLN A 59 1.254 -0.850 -9.378 1.00 0.00 C ATOM 915 CD GLN A 59 1.728 -0.241 -10.683 1.00 0.00 C ATOM 916 OE1 GLN A 59 2.286 -0.930 -11.537 1.00 0.00 O ATOM 917 NE2 GLN A 59 1.506 1.059 -10.844 1.00 0.00 N ATOM 0 H GLN A 59 3.909 -1.896 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 59 1.228 -0.704 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.154 -0.433 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.881 -2.129 -8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.661 -1.739 -9.591 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.599 -0.144 -8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.040 1.592 -10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.802 1.524 -11.702 1.00 0.00 H new ATOM 926 N VAL A 60 0.153 -2.878 -6.285 1.00 0.00 N ATOM 927 CA VAL A 60 -0.551 -4.139 -6.083 1.00 0.00 C ATOM 928 C VAL A 60 -1.194 -4.622 -7.379 1.00 0.00 C ATOM 929 O VAL A 60 -2.258 -4.144 -7.773 1.00 0.00 O ATOM 930 CB VAL A 60 -1.639 -4.008 -5.001 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.441 -5.295 -4.891 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.017 -3.641 -3.662 1.00 0.00 C ATOM 0 H VAL A 60 -0.352 -2.056 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 60 0.191 -4.867 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.320 -3.208 -5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.205 -5.183 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.918 -5.509 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.776 -6.117 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.800 -3.553 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.312 -4.417 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.492 -2.690 -3.753 1.00 0.00 H new ATOM 942 N LYS A 61 -0.542 -5.573 -8.038 1.00 0.00 N ATOM 943 CA LYS A 61 -1.049 -6.124 -9.289 1.00 0.00 C ATOM 944 C LYS A 61 -1.677 -7.496 -9.064 1.00 0.00 C ATOM 945 O LYS A 61 -0.995 -8.522 -9.047 1.00 0.00 O ATOM 946 CB LYS A 61 0.078 -6.230 -10.318 1.00 0.00 C ATOM 947 CG LYS A 61 -0.390 -6.055 -11.752 1.00 0.00 C ATOM 948 CD LYS A 61 0.584 -6.682 -12.736 1.00 0.00 C ATOM 949 CE LYS A 61 -0.054 -6.878 -14.103 1.00 0.00 C ATOM 950 NZ LYS A 61 0.815 -7.678 -15.011 1.00 0.00 N ATOM 0 H LYS A 61 0.340 -5.979 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.817 -5.450 -9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.833 -5.476 -10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.560 -7.203 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.374 -6.509 -11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.499 -4.993 -11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.465 -6.047 -12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.924 -7.643 -12.351 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.016 -7.378 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.253 -5.906 -14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.345 -7.789 -15.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.723 -7.189 -15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.984 -8.615 -14.593 1.00 0.00 H new ATOM 964 N PRO A 62 -3.006 -7.518 -8.888 1.00 0.00 N ATOM 965 CA PRO A 62 -3.754 -8.759 -8.663 1.00 0.00 C ATOM 966 C PRO A 62 -3.806 -9.638 -9.908 1.00 0.00 C ATOM 967 O PRO A 62 -3.925 -9.140 -11.027 1.00 0.00 O ATOM 968 CB PRO A 62 -5.157 -8.266 -8.299 1.00 0.00 C ATOM 969 CG PRO A 62 -5.264 -6.923 -8.936 1.00 0.00 C ATOM 970 CD PRO A 62 -3.881 -6.334 -8.896 1.00 0.00 C ATOM 0 HA PRO A 62 -3.292 -9.380 -7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.924 -8.944 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.287 -8.203 -7.219 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.624 -7.005 -9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.973 -6.292 -8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.690 -5.699 -9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.732 -5.718 -8.009 1.00 0.00 H new ATOM 978 N ASN A 63 -3.716 -10.949 -9.705 1.00 0.00 N ATOM 979 CA ASN A 63 -3.752 -11.898 -10.812 1.00 0.00 C ATOM 980 C ASN A 63 -4.885 -11.564 -11.777 1.00 0.00 C ATOM 981 O ASN A 63 -5.858 -10.910 -11.406 1.00 0.00 O ATOM 982 CB ASN A 63 -3.920 -13.323 -10.283 1.00 0.00 C ATOM 983 CG ASN A 63 -5.244 -13.523 -9.570 1.00 0.00 C ATOM 984 OD1 ASN A 63 -6.233 -12.856 -9.876 1.00 0.00 O ATOM 985 ND2 ASN A 63 -5.268 -14.445 -8.615 1.00 0.00 N ATOM 0 H ASN A 63 -3.618 -11.378 -8.785 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.807 -11.827 -11.351 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.847 -14.026 -11.112 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.103 -13.552 -9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.131 -14.625 -8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.424 -14.974 -8.395 1.00 0.00 H new ATOM 992 N ALA A 64 -4.750 -12.020 -13.019 1.00 0.00 N ATOM 993 CA ALA A 64 -5.763 -11.772 -14.037 1.00 0.00 C ATOM 994 C ALA A 64 -6.283 -13.081 -14.623 1.00 0.00 C ATOM 995 O ALA A 64 -7.489 -13.260 -14.791 1.00 0.00 O ATOM 996 CB ALA A 64 -5.200 -10.886 -15.138 1.00 0.00 C ATOM 0 H ALA A 64 -3.949 -12.563 -13.343 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.599 -11.257 -13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.968 -10.709 -15.891 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.883 -9.934 -14.712 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.345 -11.379 -15.600 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.365 -13.991 -14.934 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.733 -15.282 -15.503 1.00 0.00 C ATOM 1004 C GLU A 65 -5.766 -16.362 -14.426 1.00 0.00 C ATOM 1005 O GLU A 65 -6.471 -17.363 -14.557 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.748 -15.677 -16.606 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.305 -15.752 -16.136 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.615 -14.401 -16.153 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -2.891 -13.605 -17.075 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -1.800 -14.141 -15.244 1.00 0.00 O ATOM 0 H GLU A 65 -4.362 -13.858 -14.802 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.731 -15.190 -15.932 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.040 -16.646 -17.012 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.819 -14.956 -17.420 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.277 -16.158 -15.125 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.755 -16.445 -16.773 1.00 0.00 H new ATOM 1017 N ASP A 66 -4.999 -16.152 -13.362 1.00 0.00 N ATOM 1018 CA ASP A 66 -4.941 -17.106 -12.261 1.00 0.00 C ATOM 1019 C ASP A 66 -5.801 -16.639 -11.091 1.00 0.00 C ATOM 1020 O ASP A 66 -6.333 -15.529 -11.101 1.00 0.00 O ATOM 1021 CB ASP A 66 -3.494 -17.299 -11.802 1.00 0.00 C ATOM 1022 CG ASP A 66 -2.736 -15.990 -11.711 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -2.583 -15.320 -12.753 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -2.295 -15.635 -10.597 1.00 0.00 O ATOM 0 H ASP A 66 -4.409 -15.329 -13.239 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.332 -18.059 -12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.487 -17.788 -10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.981 -17.965 -12.496 1.00 0.00 H new ATOM 1029 N LYS A 67 -5.933 -17.494 -10.082 1.00 0.00 N ATOM 1030 CA LYS A 67 -6.728 -17.171 -8.903 1.00 0.00 C ATOM 1031 C LYS A 67 -5.892 -17.292 -7.633 1.00 0.00 C ATOM 1032 O LYS A 67 -4.908 -18.031 -7.593 1.00 0.00 O ATOM 1033 CB LYS A 67 -7.946 -18.093 -8.816 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.142 -17.458 -8.127 1.00 0.00 C ATOM 1035 CD LYS A 67 -10.024 -16.715 -9.116 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.204 -16.052 -8.421 1.00 0.00 C ATOM 1037 NZ LYS A 67 -11.779 -14.947 -9.237 1.00 0.00 N ATOM 0 H LYS A 67 -5.499 -18.417 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.067 -16.139 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.235 -18.395 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.667 -19.000 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.726 -18.229 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.796 -16.769 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.434 -15.959 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.389 -17.409 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.975 -16.797 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.884 -15.661 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.580 -14.521 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.051 -14.223 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.108 -15.324 -10.149 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.291 -16.563 -6.596 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.581 -16.591 -5.323 1.00 0.00 C ATOM 1053 C LYS A 68 -4.099 -16.288 -5.520 1.00 0.00 C ATOM 1054 O LYS A 68 -3.236 -17.047 -5.078 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.748 -17.956 -4.652 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.973 -18.048 -3.758 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.027 -19.376 -3.022 1.00 0.00 C ATOM 1058 CE LYS A 68 -7.403 -20.516 -3.956 1.00 0.00 C ATOM 1059 NZ LYS A 68 -8.819 -20.421 -4.406 1.00 0.00 N ATOM 0 H LYS A 68 -7.103 -15.945 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.009 -15.822 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.812 -18.725 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.859 -18.172 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.960 -17.231 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.874 -17.928 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.058 -19.581 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.753 -19.314 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.745 -20.506 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.246 -21.468 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.344 -21.258 -4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.253 -19.563 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.851 -20.376 -5.445 1.00 0.00 H new ATOM 1073 N SER A 69 -3.810 -15.173 -6.184 1.00 0.00 N ATOM 1074 CA SER A 69 -2.432 -14.771 -6.441 1.00 0.00 C ATOM 1075 C SER A 69 -2.349 -13.278 -6.742 1.00 0.00 C ATOM 1076 O SER A 69 -3.304 -12.679 -7.237 1.00 0.00 O ATOM 1077 CB SER A 69 -1.855 -15.572 -7.610 1.00 0.00 C ATOM 1078 OG SER A 69 -1.438 -16.860 -7.189 1.00 0.00 O ATOM 0 H SER A 69 -4.512 -14.532 -6.554 1.00 0.00 H new ATOM 0 HA SER A 69 -1.846 -14.976 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.605 -15.668 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.010 -15.035 -8.041 1.00 0.00 H new ATOM 0 HG SER A 69 -1.887 -17.091 -6.349 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.200 -12.683 -6.439 1.00 0.00 N ATOM 1085 CA PHE A 70 -0.991 -11.259 -6.676 1.00 0.00 C ATOM 1086 C PHE A 70 0.498 -10.929 -6.724 1.00 0.00 C ATOM 1087 O PHE A 70 1.313 -11.595 -6.086 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.673 -10.433 -5.583 1.00 0.00 C ATOM 1089 CG PHE A 70 -0.922 -10.424 -4.282 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.095 -11.443 -3.360 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.044 -9.395 -3.981 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -0.406 -11.438 -2.162 1.00 0.00 C ATOM 1093 CE2 PHE A 70 0.648 -9.385 -2.785 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.466 -10.407 -1.874 1.00 0.00 C ATOM 0 H PHE A 70 -0.400 -13.164 -6.029 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.432 -11.008 -7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.790 -9.407 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.675 -10.827 -5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.777 -12.251 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.101 -8.592 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.549 -12.239 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.331 -8.578 -2.563 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.005 -10.400 -0.938 1.00 0.00 H new ATOM 1104 N ASP A 71 0.844 -9.897 -7.486 1.00 0.00 N ATOM 1105 CA ASP A 71 2.234 -9.477 -7.618 1.00 0.00 C ATOM 1106 C ASP A 71 2.443 -8.091 -7.016 1.00 0.00 C ATOM 1107 O ASP A 71 1.668 -7.169 -7.271 1.00 0.00 O ATOM 1108 CB ASP A 71 2.651 -9.476 -9.089 1.00 0.00 C ATOM 1109 CG ASP A 71 3.181 -10.822 -9.542 1.00 0.00 C ATOM 1110 OD1 ASP A 71 2.390 -11.788 -9.582 1.00 0.00 O ATOM 1111 OD2 ASP A 71 4.387 -10.911 -9.857 1.00 0.00 O ATOM 0 H ASP A 71 0.181 -9.336 -8.021 1.00 0.00 H new ATOM 0 HA ASP A 71 2.856 -10.187 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.796 -9.199 -9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.416 -8.716 -9.246 1.00 0.00 H new ATOM 1116 N LEU A 72 3.493 -7.952 -6.215 1.00 0.00 N ATOM 1117 CA LEU A 72 3.804 -6.678 -5.575 1.00 0.00 C ATOM 1118 C LEU A 72 5.038 -6.039 -6.204 1.00 0.00 C ATOM 1119 O LEU A 72 6.168 -6.440 -5.924 1.00 0.00 O ATOM 1120 CB LEU A 72 4.028 -6.879 -4.075 1.00 0.00 C ATOM 1121 CG LEU A 72 3.956 -5.620 -3.211 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.544 -5.055 -3.208 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.414 -5.921 -1.791 1.00 0.00 C ATOM 0 H LEU A 72 4.144 -8.705 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 72 2.956 -6.009 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.286 -7.589 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.006 -7.338 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 72 4.624 -4.872 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.512 -4.159 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.251 -4.802 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.855 -5.799 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.356 -5.013 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.771 -6.686 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.443 -6.279 -1.809 1.00 0.00 H new ATOM 1135 N ILE A 73 4.813 -5.042 -7.053 1.00 0.00 N ATOM 1136 CA ILE A 73 5.907 -4.345 -7.719 1.00 0.00 C ATOM 1137 C ILE A 73 6.476 -3.242 -6.833 1.00 0.00 C ATOM 1138 O ILE A 73 5.793 -2.265 -6.525 1.00 0.00 O ATOM 1139 CB ILE A 73 5.453 -3.732 -9.056 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.015 -4.833 -10.025 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.572 -2.899 -9.664 1.00 0.00 C ATOM 1142 CD1 ILE A 73 3.942 -4.391 -10.996 1.00 0.00 C ATOM 0 H ILE A 73 3.884 -4.699 -7.296 1.00 0.00 H new ATOM 0 HA ILE A 73 6.682 -5.087 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 73 4.601 -3.079 -8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.883 -5.178 -10.587 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.647 -5.685 -9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.236 -2.472 -10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.841 -2.096 -8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.442 -3.532 -9.841 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.680 -5.221 -11.652 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.058 -4.074 -10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.313 -3.559 -11.594 1.00 0.00 H new ATOM 1154 N SER A 74 7.732 -3.403 -6.429 1.00 0.00 N ATOM 1155 CA SER A 74 8.393 -2.421 -5.577 1.00 0.00 C ATOM 1156 C SER A 74 9.329 -1.536 -6.394 1.00 0.00 C ATOM 1157 O SER A 74 9.423 -1.671 -7.614 1.00 0.00 O ATOM 1158 CB SER A 74 9.176 -3.123 -4.466 1.00 0.00 C ATOM 1159 OG SER A 74 8.352 -4.032 -3.757 1.00 0.00 O ATOM 0 H SER A 74 8.312 -4.204 -6.678 1.00 0.00 H new ATOM 0 HA SER A 74 7.626 -1.791 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.024 -3.656 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.581 -2.381 -3.778 1.00 0.00 H new ATOM 0 HG SER A 74 8.756 -4.924 -3.777 1.00 0.00 H new ATOM 1165 N HIS A 75 10.021 -0.629 -5.712 1.00 0.00 N ATOM 1166 CA HIS A 75 10.951 0.280 -6.373 1.00 0.00 C ATOM 1167 C HIS A 75 11.823 -0.471 -7.375 1.00 0.00 C ATOM 1168 O HIS A 75 12.778 -1.148 -6.997 1.00 0.00 O ATOM 1169 CB HIS A 75 11.831 0.983 -5.339 1.00 0.00 C ATOM 1170 CG HIS A 75 11.155 2.134 -4.660 1.00 0.00 C ATOM 1171 ND1 HIS A 75 10.704 3.248 -5.337 1.00 0.00 N ATOM 1172 CD2 HIS A 75 10.852 2.339 -3.357 1.00 0.00 C ATOM 1173 CE1 HIS A 75 10.154 4.089 -4.479 1.00 0.00 C ATOM 1174 NE2 HIS A 75 10.231 3.561 -3.271 1.00 0.00 N ATOM 0 H HIS A 75 9.955 -0.504 -4.702 1.00 0.00 H new ATOM 0 HA HIS A 75 10.370 1.028 -6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.141 0.259 -4.586 1.00 0.00 H new ATOM 0 HB3 HIS A 75 12.737 1.342 -5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.060 1.667 -2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.716 5.045 -4.724 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.885 3.991 -2.413 1.00 0.00 H new ATOM 1183 N ASN A 76 11.487 -0.345 -8.655 1.00 0.00 N ATOM 1184 CA ASN A 76 12.239 -1.012 -9.711 1.00 0.00 C ATOM 1185 C ASN A 76 12.484 -2.477 -9.362 1.00 0.00 C ATOM 1186 O ASN A 76 13.586 -2.994 -9.549 1.00 0.00 O ATOM 1187 CB ASN A 76 13.573 -0.302 -9.943 1.00 0.00 C ATOM 1188 CG ASN A 76 14.099 -0.503 -11.352 1.00 0.00 C ATOM 1189 OD1 ASN A 76 14.847 -1.444 -11.618 1.00 0.00 O ATOM 1190 ND2 ASN A 76 13.709 0.382 -12.261 1.00 0.00 N ATOM 0 H ASN A 76 10.699 0.213 -8.985 1.00 0.00 H new ATOM 0 HA ASN A 76 11.648 -0.968 -10.626 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.452 0.764 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.308 -0.672 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.030 0.298 -13.225 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.088 1.146 -11.995 1.00 0.00 H new ATOM 1197 N ARG A 77 11.449 -3.141 -8.856 1.00 0.00 N ATOM 1198 CA ARG A 77 11.552 -4.546 -8.481 1.00 0.00 C ATOM 1199 C ARG A 77 10.174 -5.198 -8.431 1.00 0.00 C ATOM 1200 O ARG A 77 9.159 -4.519 -8.265 1.00 0.00 O ATOM 1201 CB ARG A 77 12.242 -4.683 -7.122 1.00 0.00 C ATOM 1202 CG ARG A 77 13.014 -5.983 -6.960 1.00 0.00 C ATOM 1203 CD ARG A 77 13.719 -6.048 -5.614 1.00 0.00 C ATOM 1204 NE ARG A 77 14.767 -5.037 -5.496 1.00 0.00 N ATOM 1205 CZ ARG A 77 15.487 -4.850 -4.396 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.273 -5.602 -3.324 1.00 0.00 N ATOM 1207 NH2 ARG A 77 16.423 -3.911 -4.366 1.00 0.00 N ATOM 0 H ARG A 77 10.530 -2.728 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 77 12.149 -5.055 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.925 -3.845 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.492 -4.615 -6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.331 -6.827 -7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.748 -6.074 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 77 12.990 -5.909 -4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.154 -7.038 -5.480 1.00 0.00 H new ATOM 0 HE ARG A 77 14.956 -4.442 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.554 -6.325 -3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.827 -5.457 -2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.591 -3.331 -5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.975 -3.768 -3.520 1.00 0.00 H new ATOM 1221 N THR A 78 10.144 -6.519 -8.578 1.00 0.00 N ATOM 1222 CA THR A 78 8.891 -7.262 -8.552 1.00 0.00 C ATOM 1223 C THR A 78 8.949 -8.403 -7.542 1.00 0.00 C ATOM 1224 O THR A 78 9.936 -9.136 -7.476 1.00 0.00 O ATOM 1225 CB THR A 78 8.550 -7.837 -9.939 1.00 0.00 C ATOM 1226 OG1 THR A 78 8.584 -6.797 -10.923 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.175 -8.489 -9.932 1.00 0.00 C ATOM 0 H THR A 78 10.974 -7.096 -8.716 1.00 0.00 H new ATOM 0 HA THR A 78 8.113 -6.558 -8.257 1.00 0.00 H new ATOM 0 HB THR A 78 9.293 -8.595 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.368 -7.172 -11.802 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.956 -8.888 -10.923 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.160 -9.299 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.422 -7.747 -9.665 1.00 0.00 H new ATOM 1235 N TYR A 79 7.887 -8.547 -6.758 1.00 0.00 N ATOM 1236 CA TYR A 79 7.818 -9.598 -5.749 1.00 0.00 C ATOM 1237 C TYR A 79 6.750 -10.627 -6.107 1.00 0.00 C ATOM 1238 O TYR A 79 5.905 -10.388 -6.970 1.00 0.00 O ATOM 1239 CB TYR A 79 7.523 -8.996 -4.374 1.00 0.00 C ATOM 1240 CG TYR A 79 8.696 -8.255 -3.774 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.240 -7.145 -4.409 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.261 -8.664 -2.572 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.312 -6.464 -3.864 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.332 -7.988 -2.020 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.854 -6.889 -2.670 1.00 0.00 C ATOM 1246 OH TYR A 79 11.921 -6.215 -2.123 1.00 0.00 O ATOM 0 H TYR A 79 7.062 -7.949 -6.801 1.00 0.00 H new ATOM 0 HA TYR A 79 8.785 -10.101 -5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.678 -8.313 -4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.221 -9.793 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.818 -6.809 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.856 -9.525 -2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.723 -5.603 -4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.758 -8.318 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 79 12.181 -6.643 -1.281 1.00 0.00 H new ATOM 1256 N HIS A 80 6.794 -11.774 -5.435 1.00 0.00 N ATOM 1257 CA HIS A 80 5.829 -12.840 -5.680 1.00 0.00 C ATOM 1258 C HIS A 80 5.109 -13.227 -4.392 1.00 0.00 C ATOM 1259 O HIS A 80 5.741 -13.599 -3.403 1.00 0.00 O ATOM 1260 CB HIS A 80 6.529 -14.063 -6.274 1.00 0.00 C ATOM 1261 CG HIS A 80 7.470 -13.730 -7.391 1.00 0.00 C ATOM 1262 ND1 HIS A 80 7.065 -13.120 -8.560 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.803 -13.925 -7.513 1.00 0.00 C ATOM 1264 CE1 HIS A 80 8.109 -12.956 -9.352 1.00 0.00 C ATOM 1265 NE2 HIS A 80 9.176 -13.435 -8.740 1.00 0.00 N ATOM 0 H HIS A 80 7.487 -11.988 -4.718 1.00 0.00 H new ATOM 0 HA HIS A 80 5.090 -12.472 -6.392 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.081 -14.575 -5.485 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.776 -14.761 -6.640 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.453 -14.381 -6.781 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.093 -12.506 -10.334 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.124 -13.440 -9.117 1.00 0.00 H new ATOM 1274 N PHE A 81 3.784 -13.137 -4.410 1.00 0.00 N ATOM 1275 CA PHE A 81 2.978 -13.476 -3.243 1.00 0.00 C ATOM 1276 C PHE A 81 1.786 -14.343 -3.639 1.00 0.00 C ATOM 1277 O PHE A 81 1.313 -14.285 -4.773 1.00 0.00 O ATOM 1278 CB PHE A 81 2.489 -12.204 -2.548 1.00 0.00 C ATOM 1279 CG PHE A 81 3.584 -11.433 -1.869 1.00 0.00 C ATOM 1280 CD1 PHE A 81 4.163 -11.907 -0.703 1.00 0.00 C ATOM 1281 CD2 PHE A 81 4.036 -10.234 -2.397 1.00 0.00 C ATOM 1282 CE1 PHE A 81 5.171 -11.199 -0.076 1.00 0.00 C ATOM 1283 CE2 PHE A 81 5.044 -9.522 -1.775 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.613 -10.006 -0.613 1.00 0.00 C ATOM 0 H PHE A 81 3.245 -12.832 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 81 3.603 -14.042 -2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.005 -11.561 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.732 -12.471 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.823 -12.840 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.595 -9.851 -3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.613 -11.579 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.386 -8.589 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.402 -9.453 -0.126 1.00 0.00 H new ATOM 1294 N GLN A 82 1.307 -15.147 -2.694 1.00 0.00 N ATOM 1295 CA GLN A 82 0.172 -16.027 -2.944 1.00 0.00 C ATOM 1296 C GLN A 82 -0.669 -16.202 -1.684 1.00 0.00 C ATOM 1297 O GLN A 82 -0.138 -16.439 -0.600 1.00 0.00 O ATOM 1298 CB GLN A 82 0.657 -17.390 -3.441 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.472 -18.338 -3.814 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.005 -19.774 -3.956 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.016 -20.540 -2.993 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.408 -20.145 -5.162 1.00 0.00 N ATOM 0 H GLN A 82 1.687 -15.207 -1.749 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.450 -15.568 -3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.299 -17.243 -4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.269 -17.853 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.251 -18.287 -3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.921 -18.011 -4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.400 -19.476 -5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.733 -21.099 -5.319 1.00 0.00 H new ATOM 1311 N ALA A 83 -1.984 -16.083 -1.835 1.00 0.00 N ATOM 1312 CA ALA A 83 -2.899 -16.229 -0.710 1.00 0.00 C ATOM 1313 C ALA A 83 -3.179 -17.699 -0.418 1.00 0.00 C ATOM 1314 O ALA A 83 -3.055 -18.550 -1.298 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.198 -15.486 -0.985 1.00 0.00 C ATOM 0 H ALA A 83 -2.440 -15.886 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.425 -15.795 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.871 -15.604 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.987 -14.427 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.668 -15.894 -1.880 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.557 -17.990 0.823 1.00 0.00 N ATOM 1322 CA GLU A 84 -3.854 -19.358 1.230 1.00 0.00 C ATOM 1323 C GLU A 84 -5.278 -19.745 0.841 1.00 0.00 C ATOM 1324 O GLU A 84 -5.511 -20.822 0.292 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.665 -19.517 2.740 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.255 -19.206 3.213 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.009 -17.718 3.373 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -1.660 -17.062 2.369 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -2.165 -17.209 4.503 1.00 0.00 O ATOM 0 H GLU A 84 -3.665 -17.297 1.563 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.162 -20.022 0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.365 -18.861 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.917 -20.539 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.077 -19.705 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.538 -19.615 2.501 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.225 -18.860 1.130 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.626 -19.108 0.811 1.00 0.00 C ATOM 1338 C ASP A 85 -8.165 -18.038 -0.134 1.00 0.00 C ATOM 1339 O ASP A 85 -7.611 -16.943 -0.227 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.464 -19.146 2.090 1.00 0.00 C ATOM 1341 CG ASP A 85 -9.746 -19.936 1.919 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -9.677 -21.183 1.912 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -10.818 -19.308 1.791 1.00 0.00 O ATOM 0 H ASP A 85 -6.048 -17.964 1.585 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.694 -20.075 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.874 -19.586 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.706 -18.127 2.393 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.248 -18.364 -0.832 1.00 0.00 N ATOM 1349 CA GLU A 86 -9.860 -17.430 -1.771 1.00 0.00 C ATOM 1350 C GLU A 86 -10.341 -16.173 -1.052 1.00 0.00 C ATOM 1351 O GLU A 86 -10.137 -15.057 -1.529 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.032 -18.096 -2.496 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.304 -17.517 -3.874 1.00 0.00 C ATOM 1354 CD GLU A 86 -12.764 -17.615 -4.270 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -13.630 -17.319 -3.420 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.041 -17.987 -5.429 1.00 0.00 O ATOM 0 H GLU A 86 -9.719 -19.266 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.105 -17.143 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.829 -19.163 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.930 -17.996 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.996 -16.472 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.696 -18.041 -4.611 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.981 -16.363 0.097 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.492 -15.245 0.881 1.00 0.00 C ATOM 1365 C GLN A 87 -10.356 -14.334 1.334 1.00 0.00 C ATOM 1366 O GLN A 87 -10.451 -13.110 1.232 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.266 -15.758 2.096 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.653 -16.280 1.759 1.00 0.00 C ATOM 1369 CD GLN A 87 -13.641 -17.268 0.609 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -13.616 -16.879 -0.559 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -13.659 -18.555 0.934 1.00 0.00 N ATOM 0 H GLN A 87 -11.158 -17.281 0.506 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.166 -14.668 0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.693 -16.554 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.357 -14.952 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.081 -16.759 2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.301 -15.441 1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.680 -18.833 1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.652 -19.266 0.203 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.284 -14.937 1.835 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.129 -14.180 2.303 1.00 0.00 C ATOM 1382 C ASP A 88 -7.582 -13.284 1.196 1.00 0.00 C ATOM 1383 O ASP A 88 -7.237 -12.126 1.435 1.00 0.00 O ATOM 1384 CB ASP A 88 -7.036 -15.130 2.795 1.00 0.00 C ATOM 1385 CG ASP A 88 -6.092 -14.466 3.779 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.570 -13.668 4.612 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.876 -14.743 3.715 1.00 0.00 O ATOM 0 H ASP A 88 -9.191 -15.948 1.928 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.450 -13.548 3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.498 -15.997 3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.467 -15.498 1.941 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.504 -13.827 -0.013 1.00 0.00 N ATOM 1393 CA TYR A 89 -6.995 -13.078 -1.156 1.00 0.00 C ATOM 1394 C TYR A 89 -7.860 -11.851 -1.432 1.00 0.00 C ATOM 1395 O TYR A 89 -7.423 -10.715 -1.247 1.00 0.00 O ATOM 1396 CB TYR A 89 -6.947 -13.971 -2.397 1.00 0.00 C ATOM 1397 CG TYR A 89 -6.904 -13.199 -3.697 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.751 -12.531 -4.093 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.015 -13.137 -4.528 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.707 -11.825 -5.279 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -7.980 -12.434 -5.717 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.824 -11.779 -6.088 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.785 -11.077 -7.270 1.00 0.00 O ATOM 0 H TYR A 89 -7.787 -14.783 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.985 -12.743 -0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.070 -14.615 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.821 -14.622 -2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.875 -12.565 -3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.922 -13.647 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.803 -11.312 -5.572 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.853 -12.398 -6.352 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.611 -11.694 -8.011 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.090 -12.089 -1.874 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.018 -11.006 -2.174 1.00 0.00 C ATOM 1415 C VAL A 90 -9.852 -9.852 -1.191 1.00 0.00 C ATOM 1416 O VAL A 90 -9.855 -8.685 -1.582 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.479 -11.491 -2.137 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.431 -10.345 -2.442 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.684 -12.639 -3.114 1.00 0.00 C ATOM 0 H VAL A 90 -9.467 -13.023 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.784 -10.659 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.697 -11.855 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.458 -10.708 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.302 -9.557 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.216 -9.948 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.722 -12.969 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.448 -12.304 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.029 -13.468 -2.844 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.707 -10.187 0.086 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.537 -9.180 1.126 1.00 0.00 C ATOM 1431 C ALA A 91 -8.202 -8.456 0.976 1.00 0.00 C ATOM 1432 O ALA A 91 -8.164 -7.251 0.732 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.641 -9.819 2.503 1.00 0.00 C ATOM 0 H ALA A 91 -9.704 -11.149 0.426 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.334 -8.445 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.512 -9.055 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.620 -10.284 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.865 -10.577 2.612 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.112 -9.200 1.125 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.775 -8.628 1.006 1.00 0.00 C ATOM 1441 C TRP A 92 -5.744 -7.531 -0.052 1.00 0.00 C ATOM 1442 O TRP A 92 -5.482 -6.368 0.255 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.761 -9.719 0.658 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.170 -10.387 1.863 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.189 -11.722 2.152 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.476 -9.751 2.941 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.547 -11.953 3.345 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.100 -10.761 3.848 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.132 -8.427 3.228 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.400 -10.486 5.021 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.438 -8.155 4.392 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -2.078 -9.181 5.276 1.00 0.00 C ATOM 0 H TRP A 92 -7.127 -10.199 1.328 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.509 -8.187 1.967 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.246 -10.471 0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.959 -9.283 0.063 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.642 -12.483 1.534 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.424 -12.865 3.785 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.404 -7.630 2.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.122 -11.275 5.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.169 -7.135 4.624 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.535 -8.937 6.177 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.014 -7.908 -1.297 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.017 -6.955 -2.400 1.00 0.00 C ATOM 1465 C ILE A 93 -6.845 -5.721 -2.057 1.00 0.00 C ATOM 1466 O ILE A 93 -6.407 -4.590 -2.263 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.571 -7.588 -3.690 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -5.670 -8.738 -4.146 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.695 -6.539 -4.784 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.265 -8.302 -4.497 1.00 0.00 C ATOM 0 H ILE A 93 -6.234 -8.867 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.981 -6.661 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.564 -7.988 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.623 -9.487 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.120 -9.219 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.088 -7.002 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.372 -5.750 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.714 -6.112 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.683 -9.168 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.302 -7.575 -5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.796 -7.848 -3.624 1.00 0.00 H new ATOM 1482 N SER A 94 -8.044 -5.947 -1.530 1.00 0.00 N ATOM 1483 CA SER A 94 -8.936 -4.854 -1.160 1.00 0.00 C ATOM 1484 C SER A 94 -8.259 -3.915 -0.166 1.00 0.00 C ATOM 1485 O SER A 94 -8.356 -2.693 -0.284 1.00 0.00 O ATOM 1486 CB SER A 94 -10.230 -5.405 -0.558 1.00 0.00 C ATOM 1487 OG SER A 94 -11.019 -6.045 -1.546 1.00 0.00 O ATOM 0 H SER A 94 -8.420 -6.878 -1.349 1.00 0.00 H new ATOM 0 HA SER A 94 -9.175 -4.291 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.993 -6.112 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.798 -4.593 -0.104 1.00 0.00 H new ATOM 0 HG SER A 94 -10.706 -6.966 -1.669 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.572 -4.495 0.814 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.878 -3.711 1.828 1.00 0.00 C ATOM 1495 C VAL A 95 -5.656 -3.012 1.242 1.00 0.00 C ATOM 1496 O VAL A 95 -5.641 -1.790 1.086 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.434 -4.592 3.011 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.455 -3.796 4.307 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.318 -5.825 3.118 1.00 0.00 C ATOM 0 H VAL A 95 -7.482 -5.505 0.927 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.584 -2.962 2.187 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.411 -4.922 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.138 -4.435 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.776 -2.948 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.466 -3.434 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.990 -6.436 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.352 -5.519 3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.246 -6.405 2.198 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.633 -3.795 0.918 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.405 -3.252 0.348 1.00 0.00 C ATOM 1511 C LEU A 96 -3.702 -2.044 -0.534 1.00 0.00 C ATOM 1512 O LEU A 96 -3.163 -0.957 -0.322 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.678 -4.325 -0.465 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.279 -5.588 0.298 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.240 -6.787 -0.637 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.931 -5.397 0.978 1.00 0.00 C ATOM 0 H LEU A 96 -4.629 -4.808 1.040 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.764 -2.931 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.316 -4.615 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.778 -3.882 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.028 -5.776 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.954 -7.677 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.226 -6.937 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.512 -6.608 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.663 -6.306 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.171 -5.183 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.992 -4.565 1.679 1.00 0.00 H new ATOM 1528 N THR A 97 -4.566 -2.239 -1.526 1.00 0.00 N ATOM 1529 CA THR A 97 -4.937 -1.167 -2.440 1.00 0.00 C ATOM 1530 C THR A 97 -5.624 -0.026 -1.699 1.00 0.00 C ATOM 1531 O THR A 97 -5.301 1.144 -1.904 1.00 0.00 O ATOM 1532 CB THR A 97 -5.870 -1.676 -3.554 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.299 -2.828 -4.184 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.113 -0.592 -4.594 1.00 0.00 C ATOM 0 H THR A 97 -5.022 -3.131 -1.716 1.00 0.00 H new ATOM 0 HA THR A 97 -4.014 -0.801 -2.889 1.00 0.00 H new ATOM 0 HB THR A 97 -6.825 -1.945 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.546 -3.632 -3.681 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.775 -0.975 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.575 0.273 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.163 -0.296 -5.040 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.573 -0.373 -0.836 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.306 0.623 -0.063 1.00 0.00 C ATOM 1544 C ASN A 98 -6.352 1.487 0.755 1.00 0.00 C ATOM 1545 O ASN A 98 -6.193 2.678 0.489 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.315 -0.060 0.862 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.601 -0.425 0.147 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -9.956 0.181 -0.864 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.306 -1.422 0.670 1.00 0.00 N ATOM 0 H ASN A 98 -6.853 -1.337 -0.654 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.842 1.266 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.867 -0.961 1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.543 0.601 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.180 -1.713 0.232 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.973 -1.896 1.510 1.00 0.00 H new ATOM 1556 N SER A 99 -5.718 0.878 1.752 1.00 0.00 N ATOM 1557 CA SER A 99 -4.782 1.591 2.612 1.00 0.00 C ATOM 1558 C SER A 99 -3.952 2.586 1.805 1.00 0.00 C ATOM 1559 O SER A 99 -3.700 3.706 2.248 1.00 0.00 O ATOM 1560 CB SER A 99 -3.859 0.603 3.328 1.00 0.00 C ATOM 1561 OG SER A 99 -3.407 1.130 4.563 1.00 0.00 O ATOM 0 H SER A 99 -5.836 -0.108 1.984 1.00 0.00 H new ATOM 0 HA SER A 99 -5.358 2.143 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.388 -0.334 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.004 0.373 2.692 1.00 0.00 H new ATOM 0 HG SER A 99 -3.776 0.599 5.300 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.531 2.167 0.617 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.731 3.019 -0.255 1.00 0.00 C ATOM 1569 C LYS A 100 -3.493 4.288 -0.625 1.00 0.00 C ATOM 1570 O LYS A 100 -3.111 5.389 -0.231 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.338 2.260 -1.524 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.211 2.917 -2.303 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.743 3.911 -3.322 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.686 4.269 -4.355 1.00 0.00 C ATOM 1575 NZ LYS A 100 -1.247 5.097 -5.458 1.00 0.00 N ATOM 0 H LYS A 100 -3.730 1.242 0.236 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.828 3.303 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.039 1.247 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.212 2.172 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.539 3.427 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.625 2.152 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.615 3.489 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.075 4.815 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.126 4.811 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.258 3.356 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.123 4.600 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.260 5.260 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.751 6.010 -5.494 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.573 4.124 -1.383 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.389 5.257 -1.804 1.00 0.00 C ATOM 1591 C GLU A 101 -5.902 6.037 -0.597 1.00 0.00 C ATOM 1592 O GLU A 101 -5.601 7.218 -0.434 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.567 4.778 -2.655 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.152 4.201 -3.998 1.00 0.00 C ATOM 1595 CD GLU A 101 -7.285 3.472 -4.694 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -8.360 4.082 -4.874 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -7.097 2.292 -5.058 1.00 0.00 O ATOM 0 H GLU A 101 -4.903 3.219 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.764 5.919 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.122 4.022 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.247 5.613 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.794 5.006 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -5.318 3.514 -3.852 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.680 5.365 0.246 1.00 0.00 N ATOM 1605 CA GLU A 102 -7.237 5.995 1.438 1.00 0.00 C ATOM 1606 C GLU A 102 -6.199 6.881 2.121 1.00 0.00 C ATOM 1607 O GLU A 102 -6.544 7.825 2.831 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.740 4.931 2.417 1.00 0.00 C ATOM 1609 CG GLU A 102 -9.172 4.494 2.158 1.00 0.00 C ATOM 1610 CD GLU A 102 -10.174 5.606 2.403 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.929 6.438 3.301 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -11.203 5.643 1.696 1.00 0.00 O ATOM 0 H GLU A 102 -6.939 4.386 0.126 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.075 6.620 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.087 4.060 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.666 5.320 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.262 4.149 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.411 3.646 2.800 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.927 6.568 1.900 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.838 7.335 2.493 1.00 0.00 C ATOM 1621 C ALA A 103 -3.527 8.577 1.664 1.00 0.00 C ATOM 1622 O ALA A 103 -3.297 9.658 2.208 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.596 6.468 2.633 1.00 0.00 C ATOM 0 H ALA A 103 -4.625 5.789 1.315 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.154 7.660 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.791 7.054 3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.819 5.614 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.287 6.114 1.650 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.522 8.416 0.345 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.239 9.525 -0.560 1.00 0.00 C ATOM 1631 C LEU A 104 -4.417 10.492 -0.622 1.00 0.00 C ATOM 1632 O LEU A 104 -4.243 11.707 -0.528 1.00 0.00 O ATOM 1633 CB LEU A 104 -2.922 8.998 -1.960 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.503 8.469 -2.173 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.429 7.638 -3.445 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.508 9.618 -2.227 1.00 0.00 C ATOM 0 H LEU A 104 -3.711 7.529 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.372 10.063 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.625 8.198 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.101 9.799 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.244 7.830 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.412 7.270 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.113 6.793 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.708 8.255 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.496 9.223 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.765 10.283 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.541 10.173 -1.289 1.00 0.00 H new ATOM 1648 N THR A 105 -5.618 9.943 -0.779 1.00 0.00 N ATOM 1649 CA THR A 105 -6.826 10.756 -0.852 1.00 0.00 C ATOM 1650 C THR A 105 -6.836 11.825 0.234 1.00 0.00 C ATOM 1651 O THR A 105 -7.253 12.959 -0.001 1.00 0.00 O ATOM 1652 CB THR A 105 -8.094 9.892 -0.719 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.260 10.700 -0.909 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.151 9.223 0.646 1.00 0.00 C ATOM 0 H THR A 105 -5.780 8.939 -0.858 1.00 0.00 H new ATOM 0 HA THR A 105 -6.825 11.237 -1.830 1.00 0.00 H new ATOM 0 HB THR A 105 -8.061 9.117 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.062 10.143 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.055 8.618 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.276 8.585 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.163 9.986 1.425 1.00 0.00 H new