USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 SER OG : rot -137:sc= 0.0349 USER MOD Set 1.2: A 98 ASN : amide:sc= -3.4! C(o=-3.4!,f=-4.5!) USER MOD Set 2.1: A 75 HIS :FLIP no HE2:sc= 0.0556 F(o=-0.72,f=-0.084) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.14 K(o=-0.084,f=-1.5) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -172:sc= 0.27 (180deg=-0.0129) USER MOD Set 3.2: A 36 ASN :FLIP amide:sc= -1.96! C(o=-3.7!,f=-1.7!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -115:sc= -1.18 (180deg=-1.89) USER MOD Set 4.2: A 80 HIS : no HE2:sc= 0.137 K(o=-1,f=-2.5) 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+ -165:sc= 0 (180deg=-0.116) 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+ -166:sc=-0.00366 (180deg=-0.127) USER MOD Single : A 28 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 136:sc= -3.3 USER MOD Single : A 33 SER OG : rot 180:sc= -0.253 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.81! C(o=-3.8!,f=-8.4!) USER MOD Single : A 57 THR OG1 : rot -58:sc= 1.21 USER MOD Single : A 58 CYS SG : rot -77:sc= -1.36 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -1.03 (180deg=-2.36!) USER MOD Single : A 63 ASN : amide:sc= -8.86! C(o=-8.9!,f=-13!) USER MOD Single : A 67 LYS NZ :NH3+ -142:sc= 1.3 (180deg=0.246) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 106:sc= 2.09 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0.917 USER MOD Single : A 82 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.15) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 109:sc= 1.06 USER MOD Single : A 99 SER OG : rot 105:sc= 0.13 USER MOD Single : A 100 LYS NZ :NH3+ 179:sc=-0.000362 (180deg=-0.00329) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.144 -3.551 2.344 1.00 0.00 N ATOM 67 CA TYR A 8 -12.807 -4.384 3.493 1.00 0.00 C ATOM 68 C TYR A 8 -12.184 -3.549 4.607 1.00 0.00 C ATOM 69 O TYR A 8 -12.649 -3.566 5.746 1.00 0.00 O ATOM 70 CB TYR A 8 -11.846 -5.499 3.076 1.00 0.00 C ATOM 71 CG TYR A 8 -12.542 -6.760 2.619 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.382 -6.751 1.512 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.361 -7.961 3.293 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.021 -7.901 1.090 1.00 0.00 C ATOM 75 CE2 TYR A 8 -12.995 -9.116 2.878 1.00 0.00 C ATOM 76 CZ TYR A 8 -13.824 -9.081 1.777 1.00 0.00 C ATOM 77 OH TYR A 8 -14.458 -10.229 1.360 1.00 0.00 O ATOM 0 HA TYR A 8 -13.728 -4.829 3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.208 -5.135 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.194 -5.738 3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.538 -5.829 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.713 -7.992 4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.671 -7.876 0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.842 -10.042 3.413 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.212 -10.971 1.951 1.00 0.00 H new ATOM 87 N GLY A 9 -11.126 -2.817 4.268 1.00 0.00 N ATOM 88 CA GLY A 9 -10.455 -1.985 5.250 1.00 0.00 C ATOM 89 C GLY A 9 -9.028 -1.661 4.857 1.00 0.00 C ATOM 90 O GLY A 9 -8.405 -2.398 4.092 1.00 0.00 O ATOM 0 H GLY A 9 -10.722 -2.786 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.013 -1.057 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.457 -2.493 6.214 1.00 0.00 H new ATOM 94 N SER A 10 -8.507 -0.556 5.379 1.00 0.00 N ATOM 95 CA SER A 10 -7.145 -0.133 5.074 1.00 0.00 C ATOM 96 C SER A 10 -6.132 -0.953 5.867 1.00 0.00 C ATOM 97 O SER A 10 -4.973 -1.075 5.473 1.00 0.00 O ATOM 98 CB SER A 10 -6.969 1.355 5.384 1.00 0.00 C ATOM 99 OG SER A 10 -6.828 1.572 6.777 1.00 0.00 O ATOM 0 H SER A 10 -9.008 0.064 6.016 1.00 0.00 H new ATOM 0 HA SER A 10 -6.968 -0.298 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.091 1.737 4.863 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.829 1.912 5.011 1.00 0.00 H new ATOM 0 HG SER A 10 -6.715 2.530 6.949 1.00 0.00 H new ATOM 105 N GLU A 11 -6.579 -1.513 6.987 1.00 0.00 N ATOM 106 CA GLU A 11 -5.712 -2.321 7.836 1.00 0.00 C ATOM 107 C GLU A 11 -6.106 -3.793 7.773 1.00 0.00 C ATOM 108 O GLU A 11 -7.288 -4.128 7.684 1.00 0.00 O ATOM 109 CB GLU A 11 -5.773 -1.826 9.283 1.00 0.00 C ATOM 110 CG GLU A 11 -4.483 -2.046 10.056 1.00 0.00 C ATOM 111 CD GLU A 11 -4.396 -3.434 10.661 1.00 0.00 C ATOM 112 OE1 GLU A 11 -4.851 -3.611 11.810 1.00 0.00 O ATOM 113 OE2 GLU A 11 -3.871 -4.343 9.984 1.00 0.00 O ATOM 0 H GLU A 11 -7.536 -1.422 7.327 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.691 -2.221 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.011 -0.762 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.587 -2.335 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.634 -1.890 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.408 -1.302 10.849 1.00 0.00 H new ATOM 120 N LYS A 12 -5.109 -4.670 7.820 1.00 0.00 N ATOM 121 CA LYS A 12 -5.349 -6.107 7.769 1.00 0.00 C ATOM 122 C LYS A 12 -4.186 -6.875 8.388 1.00 0.00 C ATOM 123 O LYS A 12 -3.055 -6.389 8.423 1.00 0.00 O ATOM 124 CB LYS A 12 -5.561 -6.559 6.323 1.00 0.00 C ATOM 125 CG LYS A 12 -6.313 -7.873 6.200 1.00 0.00 C ATOM 126 CD LYS A 12 -5.364 -9.059 6.185 1.00 0.00 C ATOM 127 CE LYS A 12 -5.926 -10.213 5.370 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.320 -10.549 5.773 1.00 0.00 N ATOM 0 H LYS A 12 -4.125 -4.410 7.893 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.250 -6.320 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.109 -5.785 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.591 -6.658 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.010 -7.974 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.907 -7.869 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.404 -8.753 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.178 -9.390 7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.906 -9.954 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.290 -11.090 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.577 -11.481 5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.385 -10.572 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.972 -9.829 5.401 1.00 0.00 H new ATOM 142 N LYS A 13 -4.470 -8.079 8.874 1.00 0.00 N ATOM 143 CA LYS A 13 -3.447 -8.917 9.489 1.00 0.00 C ATOM 144 C LYS A 13 -3.684 -10.389 9.167 1.00 0.00 C ATOM 145 O LYS A 13 -4.825 -10.830 9.036 1.00 0.00 O ATOM 146 CB LYS A 13 -3.434 -8.711 11.005 1.00 0.00 C ATOM 147 CG LYS A 13 -2.067 -8.915 11.635 1.00 0.00 C ATOM 148 CD LYS A 13 -2.105 -8.685 13.137 1.00 0.00 C ATOM 149 CE LYS A 13 -1.959 -7.211 13.479 1.00 0.00 C ATOM 150 NZ LYS A 13 -1.632 -7.005 14.917 1.00 0.00 N ATOM 0 H LYS A 13 -5.401 -8.496 8.854 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.479 -8.625 9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.781 -7.702 11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.143 -9.401 11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.718 -9.927 11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.350 -8.232 11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.045 -9.062 13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.304 -9.251 13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.176 -6.771 12.862 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.885 -6.689 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.541 -5.987 15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.391 -7.402 15.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.735 -7.482 15.141 1.00 0.00 H new ATOM 164 N GLY A 14 -2.597 -11.145 9.041 1.00 0.00 N ATOM 165 CA GLY A 14 -2.709 -12.559 8.737 1.00 0.00 C ATOM 166 C GLY A 14 -1.393 -13.161 8.285 1.00 0.00 C ATOM 167 O GLY A 14 -0.342 -12.876 8.860 1.00 0.00 O ATOM 0 H GLY A 14 -1.642 -10.803 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.064 -13.090 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.457 -12.702 7.957 1.00 0.00 H new ATOM 171 N TYR A 15 -1.449 -13.996 7.254 1.00 0.00 N ATOM 172 CA TYR A 15 -0.253 -14.643 6.728 1.00 0.00 C ATOM 173 C TYR A 15 -0.327 -14.773 5.209 1.00 0.00 C ATOM 174 O TYR A 15 -1.405 -14.954 4.642 1.00 0.00 O ATOM 175 CB TYR A 15 -0.074 -16.024 7.361 1.00 0.00 C ATOM 176 CG TYR A 15 0.689 -15.998 8.665 1.00 0.00 C ATOM 177 CD1 TYR A 15 0.111 -15.488 9.821 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.989 -16.482 8.742 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.805 -15.461 11.016 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.690 -16.461 9.932 1.00 0.00 C ATOM 181 CZ TYR A 15 2.094 -15.949 11.066 1.00 0.00 C ATOM 182 OH TYR A 15 2.790 -15.925 12.253 1.00 0.00 O ATOM 0 H TYR A 15 -2.310 -14.241 6.766 1.00 0.00 H new ATOM 0 HA TYR A 15 0.606 -14.021 6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.056 -16.466 7.533 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.448 -16.672 6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.899 -15.106 9.785 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.460 -16.882 7.856 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.341 -15.060 11.905 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.699 -16.843 9.974 1.00 0.00 H new ATOM 0 HH TYR A 15 3.682 -16.306 12.117 1.00 0.00 H new ATOM 192 N LEU A 16 0.827 -14.680 4.558 1.00 0.00 N ATOM 193 CA LEU A 16 0.895 -14.788 3.104 1.00 0.00 C ATOM 194 C LEU A 16 2.084 -15.643 2.677 1.00 0.00 C ATOM 195 O LEU A 16 3.131 -15.637 3.325 1.00 0.00 O ATOM 196 CB LEU A 16 1.000 -13.397 2.475 1.00 0.00 C ATOM 197 CG LEU A 16 -0.324 -12.716 2.127 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.077 -11.325 1.564 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.114 -13.561 1.138 1.00 0.00 C ATOM 0 H LEU A 16 1.728 -14.530 5.013 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.019 -15.270 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.549 -12.751 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.595 -13.476 1.565 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.911 -12.617 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.031 -10.856 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.447 -10.721 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.530 -11.400 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.053 -13.061 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.533 -13.692 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.323 -14.536 1.578 1.00 0.00 H new ATOM 211 N LEU A 17 1.915 -16.376 1.583 1.00 0.00 N ATOM 212 CA LEU A 17 2.974 -17.236 1.067 1.00 0.00 C ATOM 213 C LEU A 17 3.906 -16.457 0.143 1.00 0.00 C ATOM 214 O LEU A 17 3.460 -15.635 -0.658 1.00 0.00 O ATOM 215 CB LEU A 17 2.373 -18.426 0.317 1.00 0.00 C ATOM 216 CG LEU A 17 1.364 -19.270 1.097 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.516 -20.101 0.147 1.00 0.00 C ATOM 218 CD2 LEU A 17 2.079 -20.166 2.099 1.00 0.00 C ATOM 0 H LEU A 17 1.054 -16.392 1.036 1.00 0.00 H new ATOM 0 HA LEU A 17 3.554 -17.604 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.886 -18.054 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.187 -19.075 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 17 0.705 -18.598 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.196 -20.695 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.025 -19.440 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.160 -20.764 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.345 -20.759 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.762 -20.831 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.642 -19.550 2.800 1.00 0.00 H new ATOM 230 N LYS A 18 5.203 -16.723 0.259 1.00 0.00 N ATOM 231 CA LYS A 18 6.199 -16.051 -0.567 1.00 0.00 C ATOM 232 C LYS A 18 7.005 -17.061 -1.377 1.00 0.00 C ATOM 233 O LYS A 18 7.555 -18.016 -0.827 1.00 0.00 O ATOM 234 CB LYS A 18 7.137 -15.216 0.307 1.00 0.00 C ATOM 235 CG LYS A 18 7.773 -14.048 -0.426 1.00 0.00 C ATOM 236 CD LYS A 18 8.408 -13.061 0.540 1.00 0.00 C ATOM 237 CE LYS A 18 9.400 -12.150 -0.165 1.00 0.00 C ATOM 238 NZ LYS A 18 10.655 -12.869 -0.524 1.00 0.00 N ATOM 0 H LYS A 18 5.589 -17.400 0.918 1.00 0.00 H new ATOM 0 HA LYS A 18 5.676 -15.392 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.580 -14.836 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.924 -15.860 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.529 -14.420 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.018 -13.538 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.630 -12.459 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.915 -13.605 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.943 -11.744 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.638 -11.304 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.389 -12.179 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.978 -13.431 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.475 -13.500 -1.331 1.00 0.00 H new ATOM 252 N LYS A 19 7.074 -16.843 -2.686 1.00 0.00 N ATOM 253 CA LYS A 19 7.816 -17.732 -3.572 1.00 0.00 C ATOM 254 C LYS A 19 9.319 -17.540 -3.401 1.00 0.00 C ATOM 255 O LYS A 19 9.840 -16.441 -3.594 1.00 0.00 O ATOM 256 CB LYS A 19 7.421 -17.480 -5.029 1.00 0.00 C ATOM 257 CG LYS A 19 7.641 -18.679 -5.935 1.00 0.00 C ATOM 258 CD LYS A 19 7.882 -18.254 -7.374 1.00 0.00 C ATOM 259 CE LYS A 19 6.578 -17.918 -8.081 1.00 0.00 C ATOM 260 NZ LYS A 19 6.124 -16.532 -7.779 1.00 0.00 N ATOM 0 H LYS A 19 6.625 -16.058 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 19 7.566 -18.759 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.370 -17.194 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.995 -16.636 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.494 -19.255 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.772 -19.335 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.541 -17.386 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.392 -19.054 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.709 -18.031 -9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.807 -18.627 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.229 -16.567 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.845 -16.047 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.980 -16.012 -8.668 1.00 0.00 H new ATOM 385 N TRP A 27 6.858 -22.319 -1.991 1.00 0.00 N ATOM 386 CA TRP A 27 6.036 -21.295 -1.357 1.00 0.00 C ATOM 387 C TRP A 27 6.021 -21.470 0.158 1.00 0.00 C ATOM 388 O TRP A 27 5.576 -22.497 0.668 1.00 0.00 O ATOM 389 CB TRP A 27 4.608 -21.348 -1.903 1.00 0.00 C ATOM 390 CG TRP A 27 4.470 -20.738 -3.265 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.497 -21.394 -4.463 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.285 -19.351 -3.568 1.00 0.00 C ATOM 393 NE1 TRP A 27 4.340 -20.498 -5.493 1.00 0.00 N ATOM 394 CE2 TRP A 27 4.208 -19.238 -4.970 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.176 -18.194 -2.793 1.00 0.00 C ATOM 396 CZ2 TRP A 27 4.027 -18.015 -5.609 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.997 -16.980 -3.428 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.923 -16.898 -4.825 1.00 0.00 C ATOM 0 HA TRP A 27 6.470 -20.322 -1.587 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.280 -22.387 -1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.943 -20.830 -1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.623 -22.460 -4.583 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.324 -20.733 -6.486 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.231 -18.247 -1.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.971 -17.950 -6.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.913 -16.079 -2.838 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.781 -15.935 -5.292 1.00 0.00 H new ATOM 409 N GLN A 28 6.511 -20.460 0.870 1.00 0.00 N ATOM 410 CA GLN A 28 6.554 -20.504 2.327 1.00 0.00 C ATOM 411 C GLN A 28 5.704 -19.391 2.931 1.00 0.00 C ATOM 412 O GLN A 28 5.758 -18.244 2.485 1.00 0.00 O ATOM 413 CB GLN A 28 7.997 -20.384 2.820 1.00 0.00 C ATOM 414 CG GLN A 28 8.905 -21.496 2.319 1.00 0.00 C ATOM 415 CD GLN A 28 8.904 -22.706 3.232 1.00 0.00 C ATOM 416 OE1 GLN A 28 8.214 -22.729 4.251 1.00 0.00 O ATOM 417 NE2 GLN A 28 9.680 -23.721 2.870 1.00 0.00 N ATOM 0 H GLN A 28 6.883 -19.602 0.462 1.00 0.00 H new ATOM 0 HA GLN A 28 6.146 -21.463 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.402 -19.424 2.501 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.001 -20.386 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.587 -21.798 1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.922 -21.116 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.236 -23.659 2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.720 -24.562 3.445 1.00 0.00 H new ATOM 426 N ARG A 29 4.919 -19.736 3.946 1.00 0.00 N ATOM 427 CA ARG A 29 4.057 -18.766 4.609 1.00 0.00 C ATOM 428 C ARG A 29 4.864 -17.869 5.542 1.00 0.00 C ATOM 429 O ARG A 29 5.685 -18.349 6.324 1.00 0.00 O ATOM 430 CB ARG A 29 2.959 -19.483 5.398 1.00 0.00 C ATOM 431 CG ARG A 29 3.420 -20.001 6.750 1.00 0.00 C ATOM 432 CD ARG A 29 2.568 -21.171 7.218 1.00 0.00 C ATOM 433 NE ARG A 29 3.083 -22.449 6.736 1.00 0.00 N ATOM 434 CZ ARG A 29 4.141 -23.059 7.257 1.00 0.00 C ATOM 435 NH1 ARG A 29 4.794 -22.510 8.272 1.00 0.00 N ATOM 436 NH2 ARG A 29 4.549 -24.222 6.763 1.00 0.00 N ATOM 0 H ARG A 29 4.862 -20.680 4.327 1.00 0.00 H new ATOM 0 HA ARG A 29 3.597 -18.143 3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.124 -18.798 5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.585 -20.319 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.463 -20.312 6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.372 -19.197 7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.533 -21.182 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.544 -21.037 6.868 1.00 0.00 H new ATOM 0 HE ARG A 29 2.604 -22.898 5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.484 -21.617 8.655 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.606 -22.981 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.049 -24.648 5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.362 -24.689 7.164 1.00 0.00 H new ATOM 450 N ARG A 30 4.626 -16.564 5.454 1.00 0.00 N ATOM 451 CA ARG A 30 5.332 -15.600 6.288 1.00 0.00 C ATOM 452 C ARG A 30 4.354 -14.630 6.945 1.00 0.00 C ATOM 453 O ARG A 30 3.401 -14.171 6.315 1.00 0.00 O ATOM 454 CB ARG A 30 6.354 -14.824 5.455 1.00 0.00 C ATOM 455 CG ARG A 30 7.517 -15.675 4.971 1.00 0.00 C ATOM 456 CD ARG A 30 8.476 -16.004 6.105 1.00 0.00 C ATOM 457 NE ARG A 30 9.416 -17.060 5.738 1.00 0.00 N ATOM 458 CZ ARG A 30 10.387 -17.490 6.536 1.00 0.00 C ATOM 459 NH1 ARG A 30 10.544 -16.957 7.740 1.00 0.00 N ATOM 460 NH2 ARG A 30 11.202 -18.455 6.131 1.00 0.00 N ATOM 0 H ARG A 30 3.949 -16.151 4.813 1.00 0.00 H new ATOM 0 HA ARG A 30 5.854 -16.149 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.851 -14.387 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.742 -13.997 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.137 -16.599 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.052 -15.147 4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.029 -15.107 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.908 -16.313 6.982 1.00 0.00 H new ATOM 0 HE ARG A 30 9.322 -17.491 4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.919 -16.215 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.290 -17.289 8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.084 -18.868 5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.947 -18.784 6.745 1.00 0.00 H new ATOM 474 N LYS A 31 4.597 -14.322 8.214 1.00 0.00 N ATOM 475 CA LYS A 31 3.740 -13.406 8.958 1.00 0.00 C ATOM 476 C LYS A 31 3.718 -12.029 8.303 1.00 0.00 C ATOM 477 O LYS A 31 4.725 -11.320 8.292 1.00 0.00 O ATOM 478 CB LYS A 31 4.220 -13.287 10.406 1.00 0.00 C ATOM 479 CG LYS A 31 3.215 -12.617 11.327 1.00 0.00 C ATOM 480 CD LYS A 31 3.403 -11.109 11.354 1.00 0.00 C ATOM 481 CE LYS A 31 2.859 -10.503 12.639 1.00 0.00 C ATOM 482 NZ LYS A 31 3.297 -9.091 12.815 1.00 0.00 N ATOM 0 H LYS A 31 5.381 -14.694 8.750 1.00 0.00 H new ATOM 0 HA LYS A 31 2.727 -13.809 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.443 -14.283 10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.152 -12.721 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.203 -12.853 10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.322 -13.016 12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.462 -10.871 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.898 -10.663 10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.770 -10.547 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.194 -11.096 13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.906 -8.714 13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.336 -9.052 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.956 -8.520 12.016 1.00 0.00 H new ATOM 496 N CYS A 32 2.564 -11.656 7.759 1.00 0.00 N ATOM 497 CA CYS A 32 2.412 -10.363 7.102 1.00 0.00 C ATOM 498 C CYS A 32 1.503 -9.445 7.914 1.00 0.00 C ATOM 499 O CYS A 32 0.707 -9.907 8.731 1.00 0.00 O ATOM 500 CB CYS A 32 1.844 -10.546 5.694 1.00 0.00 C ATOM 501 SG CYS A 32 0.532 -11.785 5.582 1.00 0.00 S ATOM 0 H CYS A 32 1.721 -12.230 7.760 1.00 0.00 H new ATOM 0 HA CYS A 32 3.397 -9.901 7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.457 -9.590 5.343 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.654 -10.828 5.021 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.433 -11.329 4.840 1.00 0.00 H new ATOM 507 N SER A 33 1.630 -8.142 7.685 1.00 0.00 N ATOM 508 CA SER A 33 0.824 -7.158 8.399 1.00 0.00 C ATOM 509 C SER A 33 0.741 -5.852 7.615 1.00 0.00 C ATOM 510 O SER A 33 1.759 -5.302 7.193 1.00 0.00 O ATOM 511 CB SER A 33 1.412 -6.897 9.787 1.00 0.00 C ATOM 512 OG SER A 33 2.793 -6.589 9.706 1.00 0.00 O ATOM 0 H SER A 33 2.283 -7.743 7.011 1.00 0.00 H new ATOM 0 HA SER A 33 -0.183 -7.560 8.509 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.880 -6.073 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.268 -7.775 10.417 1.00 0.00 H new ATOM 0 HG SER A 33 3.145 -6.425 10.606 1.00 0.00 H new ATOM 518 N VAL A 34 -0.479 -5.360 7.424 1.00 0.00 N ATOM 519 CA VAL A 34 -0.696 -4.118 6.692 1.00 0.00 C ATOM 520 C VAL A 34 -1.378 -3.075 7.571 1.00 0.00 C ATOM 521 O VAL A 34 -2.487 -3.289 8.061 1.00 0.00 O ATOM 522 CB VAL A 34 -1.551 -4.350 5.433 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.255 -3.067 5.020 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.692 -4.885 4.297 1.00 0.00 C ATOM 0 H VAL A 34 -1.332 -5.803 7.766 1.00 0.00 H new ATOM 0 HA VAL A 34 0.286 -3.752 6.392 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.312 -5.095 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.854 -3.252 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.903 -2.731 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.513 -2.298 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.313 -5.043 3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.093 -4.165 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.240 -5.830 4.597 1.00 0.00 H new ATOM 534 N LYS A 35 -0.708 -1.944 7.765 1.00 0.00 N ATOM 535 CA LYS A 35 -1.249 -0.865 8.583 1.00 0.00 C ATOM 536 C LYS A 35 -0.605 0.469 8.219 1.00 0.00 C ATOM 537 O LYS A 35 0.604 0.548 8.006 1.00 0.00 O ATOM 538 CB LYS A 35 -1.027 -1.162 10.068 1.00 0.00 C ATOM 539 CG LYS A 35 -1.692 -0.159 10.995 1.00 0.00 C ATOM 540 CD LYS A 35 -0.770 1.007 11.309 1.00 0.00 C ATOM 541 CE LYS A 35 -1.057 1.591 12.684 1.00 0.00 C ATOM 542 NZ LYS A 35 -2.432 2.156 12.770 1.00 0.00 N ATOM 0 H LYS A 35 0.211 -1.751 7.367 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.319 -0.797 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.408 -2.159 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.044 -1.177 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.607 0.213 10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.981 -0.655 11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.267 0.675 11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.890 1.781 10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.935 0.816 13.441 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.329 2.371 12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.543 2.663 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.586 2.815 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.128 1.385 12.718 1.00 0.00 H new ATOM 556 N ASN A 36 -1.422 1.516 8.150 1.00 0.00 N ATOM 557 CA ASN A 36 -0.931 2.847 7.812 1.00 0.00 C ATOM 558 C ASN A 36 -0.267 2.850 6.439 1.00 0.00 C ATOM 559 O ASN A 36 0.661 3.617 6.187 1.00 0.00 O ATOM 560 CB ASN A 36 0.062 3.331 8.872 1.00 0.00 C ATOM 561 CG ASN A 36 -0.617 4.087 9.997 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.887 3.780 10.235 1.00 0.00 O flip ATOM 563 ND2 ASN A 36 -0.006 4.937 10.646 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.426 1.468 8.324 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.784 3.525 7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.596 2.475 9.284 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.806 3.975 8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.969 5.141 10.429 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.475 5.437 11.401 1.00 0.00 H new ATOM 570 N GLY A 37 -0.752 1.986 5.552 1.00 0.00 N ATOM 571 CA GLY A 37 -0.194 1.905 4.214 1.00 0.00 C ATOM 572 C GLY A 37 1.203 1.317 4.202 1.00 0.00 C ATOM 573 O GLY A 37 2.049 1.727 3.407 1.00 0.00 O ATOM 0 H GLY A 37 -1.521 1.341 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.846 1.296 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.169 2.902 3.773 1.00 0.00 H new ATOM 577 N ILE A 38 1.446 0.356 5.087 1.00 0.00 N ATOM 578 CA ILE A 38 2.750 -0.288 5.175 1.00 0.00 C ATOM 579 C ILE A 38 2.608 -1.790 5.397 1.00 0.00 C ATOM 580 O ILE A 38 1.865 -2.232 6.275 1.00 0.00 O ATOM 581 CB ILE A 38 3.597 0.309 6.314 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.748 1.821 6.128 1.00 0.00 C ATOM 583 CG2 ILE A 38 4.962 -0.361 6.367 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.564 2.202 4.913 1.00 0.00 C ATOM 0 H ILE A 38 0.757 0.007 5.753 1.00 0.00 H new ATOM 0 HA ILE A 38 3.254 -0.109 4.225 1.00 0.00 H new ATOM 0 HB ILE A 38 3.087 0.126 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.758 2.269 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.216 2.243 7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.549 0.072 7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.836 -1.430 6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.480 -0.206 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.629 3.288 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.566 1.783 5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.085 1.810 4.016 1.00 0.00 H new ATOM 596 N LEU A 39 3.325 -2.571 4.597 1.00 0.00 N ATOM 597 CA LEU A 39 3.281 -4.025 4.707 1.00 0.00 C ATOM 598 C LEU A 39 4.589 -4.569 5.271 1.00 0.00 C ATOM 599 O LEU A 39 5.569 -4.738 4.544 1.00 0.00 O ATOM 600 CB LEU A 39 3.002 -4.652 3.339 1.00 0.00 C ATOM 601 CG LEU A 39 3.135 -6.173 3.258 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.057 -6.848 4.092 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.061 -6.638 1.811 1.00 0.00 C ATOM 0 H LEU A 39 3.944 -2.222 3.865 1.00 0.00 H new ATOM 0 HA LEU A 39 2.475 -4.288 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.991 -4.379 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.683 -4.209 2.613 1.00 0.00 H new ATOM 0 HG LEU A 39 4.108 -6.456 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.167 -7.930 4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.156 -6.539 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.074 -6.559 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.157 -7.723 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.103 -6.343 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.870 -6.181 1.240 1.00 0.00 H new ATOM 615 N THR A 40 4.599 -4.845 6.572 1.00 0.00 N ATOM 616 CA THR A 40 5.786 -5.371 7.233 1.00 0.00 C ATOM 617 C THR A 40 5.926 -6.871 7.001 1.00 0.00 C ATOM 618 O THR A 40 4.931 -7.594 6.937 1.00 0.00 O ATOM 619 CB THR A 40 5.751 -5.098 8.749 1.00 0.00 C ATOM 620 OG1 THR A 40 5.446 -3.721 8.992 1.00 0.00 O ATOM 621 CG2 THR A 40 7.085 -5.449 9.392 1.00 0.00 C ATOM 0 H THR A 40 3.797 -4.713 7.188 1.00 0.00 H new ATOM 0 HA THR A 40 6.644 -4.858 6.798 1.00 0.00 H new ATOM 0 HB THR A 40 4.976 -5.724 9.191 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.424 -3.556 9.958 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.037 -5.248 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.300 -6.505 9.230 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.875 -4.845 8.945 1.00 0.00 H new ATOM 629 N ILE A 41 7.166 -7.332 6.876 1.00 0.00 N ATOM 630 CA ILE A 41 7.435 -8.747 6.652 1.00 0.00 C ATOM 631 C ILE A 41 8.440 -9.282 7.666 1.00 0.00 C ATOM 632 O ILE A 41 9.620 -8.931 7.631 1.00 0.00 O ATOM 633 CB ILE A 41 7.971 -9.001 5.231 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.997 -8.446 4.189 1.00 0.00 C ATOM 635 CG2 ILE A 41 8.202 -10.488 5.010 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.644 -8.155 2.853 1.00 0.00 C ATOM 0 H ILE A 41 8.000 -6.747 6.926 1.00 0.00 H new ATOM 0 HA ILE A 41 6.487 -9.271 6.772 1.00 0.00 H new ATOM 0 HB ILE A 41 8.925 -8.485 5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.187 -9.161 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.549 -7.530 4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.581 -10.651 4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.929 -10.855 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.262 -11.025 5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.895 -7.765 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.435 -7.417 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.068 -9.073 2.446 1.00 0.00 H new ATOM 648 N SER A 42 7.966 -10.136 8.568 1.00 0.00 N ATOM 649 CA SER A 42 8.823 -10.719 9.593 1.00 0.00 C ATOM 650 C SER A 42 10.060 -11.358 8.969 1.00 0.00 C ATOM 651 O SER A 42 10.112 -11.585 7.760 1.00 0.00 O ATOM 652 CB SER A 42 8.050 -11.762 10.402 1.00 0.00 C ATOM 653 OG SER A 42 7.359 -11.159 11.483 1.00 0.00 O ATOM 0 H SER A 42 6.993 -10.439 8.609 1.00 0.00 H new ATOM 0 HA SER A 42 9.146 -9.919 10.259 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.340 -12.276 9.754 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.739 -12.516 10.782 1.00 0.00 H new ATOM 0 HG SER A 42 6.871 -11.846 11.984 1.00 0.00 H new ATOM 767 N PRO A 50 13.057 -6.484 9.824 1.00 0.00 N ATOM 768 CA PRO A 50 12.039 -6.915 8.861 1.00 0.00 C ATOM 769 C PRO A 50 11.966 -5.998 7.645 1.00 0.00 C ATOM 770 O PRO A 50 12.609 -4.950 7.607 1.00 0.00 O ATOM 771 CB PRO A 50 10.738 -6.844 9.664 1.00 0.00 C ATOM 772 CG PRO A 50 11.003 -5.833 10.725 1.00 0.00 C ATOM 773 CD PRO A 50 12.462 -5.962 11.066 1.00 0.00 C ATOM 0 HA PRO A 50 12.253 -7.905 8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.900 -6.546 9.034 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.485 -7.813 10.095 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.772 -4.828 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.380 -6.014 11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.896 -5.002 11.347 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.620 -6.641 11.904 1.00 0.00 H new ATOM 781 N ALA A 51 11.178 -6.399 6.653 1.00 0.00 N ATOM 782 CA ALA A 51 11.019 -5.612 5.437 1.00 0.00 C ATOM 783 C ALA A 51 9.769 -4.741 5.507 1.00 0.00 C ATOM 784 O ALA A 51 8.673 -5.230 5.779 1.00 0.00 O ATOM 785 CB ALA A 51 10.962 -6.524 4.221 1.00 0.00 C ATOM 0 H ALA A 51 10.639 -7.265 6.668 1.00 0.00 H new ATOM 0 HA ALA A 51 11.884 -4.955 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.843 -5.922 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.886 -7.099 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.116 -7.205 4.316 1.00 0.00 H new ATOM 791 N LYS A 52 9.941 -3.447 5.260 1.00 0.00 N ATOM 792 CA LYS A 52 8.827 -2.506 5.294 1.00 0.00 C ATOM 793 C LYS A 52 8.533 -1.961 3.900 1.00 0.00 C ATOM 794 O LYS A 52 9.350 -1.246 3.317 1.00 0.00 O ATOM 795 CB LYS A 52 9.136 -1.352 6.250 1.00 0.00 C ATOM 796 CG LYS A 52 9.000 -1.724 7.716 1.00 0.00 C ATOM 797 CD LYS A 52 7.580 -1.517 8.214 1.00 0.00 C ATOM 798 CE LYS A 52 7.549 -1.238 9.709 1.00 0.00 C ATOM 799 NZ LYS A 52 6.239 -0.677 10.142 1.00 0.00 N ATOM 0 H LYS A 52 10.842 -3.025 5.034 1.00 0.00 H new ATOM 0 HA LYS A 52 7.945 -3.038 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.151 -1.000 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.466 -0.521 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.287 -2.766 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.687 -1.121 8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.123 -0.685 7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.984 -2.403 7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.747 -2.161 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.346 -0.539 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.258 -0.501 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.061 0.216 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.481 -1.354 9.922 1.00 0.00 H new ATOM 813 N LEU A 53 7.363 -2.300 3.371 1.00 0.00 N ATOM 814 CA LEU A 53 6.960 -1.843 2.046 1.00 0.00 C ATOM 815 C LEU A 53 6.066 -0.611 2.143 1.00 0.00 C ATOM 816 O LEU A 53 5.361 -0.421 3.133 1.00 0.00 O ATOM 817 CB LEU A 53 6.230 -2.960 1.299 1.00 0.00 C ATOM 818 CG LEU A 53 6.995 -4.274 1.142 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.031 -5.446 1.049 1.00 0.00 C ATOM 820 CD2 LEU A 53 7.896 -4.224 -0.083 1.00 0.00 C ATOM 0 H LEU A 53 6.676 -2.890 3.840 1.00 0.00 H new ATOM 0 HA LEU A 53 7.860 -1.573 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.295 -3.167 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.968 -2.595 0.306 1.00 0.00 H new ATOM 0 HG LEU A 53 7.621 -4.414 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.594 -6.372 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.429 -5.494 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.378 -5.312 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.433 -5.168 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.290 -4.059 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.612 -3.409 0.025 1.00 0.00 H new ATOM 832 N ASN A 54 6.098 0.221 1.107 1.00 0.00 N ATOM 833 CA ASN A 54 5.288 1.434 1.075 1.00 0.00 C ATOM 834 C ASN A 54 4.063 1.247 0.186 1.00 0.00 C ATOM 835 O ASN A 54 4.136 1.413 -1.033 1.00 0.00 O ATOM 836 CB ASN A 54 6.122 2.615 0.574 1.00 0.00 C ATOM 837 CG ASN A 54 5.485 3.952 0.900 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.314 4.801 0.025 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.130 4.144 2.165 1.00 0.00 N ATOM 0 H ASN A 54 6.676 0.078 0.279 1.00 0.00 H new ATOM 0 HA ASN A 54 4.949 1.642 2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.115 2.570 1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.254 2.532 -0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.696 5.024 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.291 3.412 2.857 1.00 0.00 H new ATOM 846 N LEU A 55 2.939 0.901 0.802 1.00 0.00 N ATOM 847 CA LEU A 55 1.696 0.691 0.067 1.00 0.00 C ATOM 848 C LEU A 55 1.236 1.982 -0.603 1.00 0.00 C ATOM 849 O LEU A 55 0.349 1.969 -1.458 1.00 0.00 O ATOM 850 CB LEU A 55 0.605 0.174 1.007 1.00 0.00 C ATOM 851 CG LEU A 55 0.535 -1.343 1.183 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.877 -1.889 1.645 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.563 -1.715 2.169 1.00 0.00 C ATOM 0 H LEU A 55 2.862 0.760 1.809 1.00 0.00 H new ATOM 0 HA LEU A 55 1.882 -0.053 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.753 0.627 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.360 0.522 0.638 1.00 0.00 H new ATOM 0 HG LEU A 55 0.297 -1.791 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.808 -2.970 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.640 -1.654 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.146 -1.435 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.599 -2.799 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.355 -1.256 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.523 -1.357 1.797 1.00 0.00 H new ATOM 865 N LEU A 56 1.846 3.095 -0.212 1.00 0.00 N ATOM 866 CA LEU A 56 1.501 4.396 -0.777 1.00 0.00 C ATOM 867 C LEU A 56 1.986 4.509 -2.219 1.00 0.00 C ATOM 868 O LEU A 56 1.376 5.196 -3.039 1.00 0.00 O ATOM 869 CB LEU A 56 2.109 5.518 0.067 1.00 0.00 C ATOM 870 CG LEU A 56 2.070 5.314 1.582 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.505 6.581 2.302 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.676 4.897 2.029 1.00 0.00 C ATOM 0 H LEU A 56 2.582 3.124 0.494 1.00 0.00 H new ATOM 0 HA LEU A 56 0.415 4.492 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.148 5.651 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.588 6.446 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 56 2.766 4.516 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.471 6.417 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.522 6.837 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.834 7.398 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.667 4.756 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.040 5.673 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.401 3.963 1.539 1.00 0.00 H new ATOM 884 N THR A 57 3.087 3.828 -2.523 1.00 0.00 N ATOM 885 CA THR A 57 3.653 3.852 -3.866 1.00 0.00 C ATOM 886 C THR A 57 3.826 2.440 -4.414 1.00 0.00 C ATOM 887 O THR A 57 4.567 2.223 -5.373 1.00 0.00 O ATOM 888 CB THR A 57 5.015 4.570 -3.889 1.00 0.00 C ATOM 889 OG1 THR A 57 5.566 4.533 -5.210 1.00 0.00 O ATOM 890 CG2 THR A 57 5.985 3.922 -2.911 1.00 0.00 C ATOM 0 H THR A 57 3.604 3.253 -1.857 1.00 0.00 H new ATOM 0 HA THR A 57 2.952 4.400 -4.495 1.00 0.00 H new ATOM 0 HB THR A 57 4.860 5.606 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.653 3.602 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.940 4.446 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.576 3.978 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.134 2.878 -3.185 1.00 0.00 H new ATOM 898 N CYS A 58 3.139 1.483 -3.800 1.00 0.00 N ATOM 899 CA CYS A 58 3.217 0.091 -4.227 1.00 0.00 C ATOM 900 C CYS A 58 2.257 -0.179 -5.381 1.00 0.00 C ATOM 901 O CYS A 58 1.236 0.494 -5.521 1.00 0.00 O ATOM 902 CB CYS A 58 2.901 -0.842 -3.057 1.00 0.00 C ATOM 903 SG CYS A 58 1.146 -1.241 -2.884 1.00 0.00 S ATOM 0 H CYS A 58 2.522 1.646 -3.005 1.00 0.00 H new ATOM 0 HA CYS A 58 4.233 -0.101 -4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.462 -1.768 -3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.250 -0.380 -2.133 1.00 0.00 H new ATOM 0 HG CYS A 58 0.524 -0.236 -2.342 1.00 0.00 H new ATOM 909 N GLN A 59 2.594 -1.165 -6.206 1.00 0.00 N ATOM 910 CA GLN A 59 1.763 -1.522 -7.350 1.00 0.00 C ATOM 911 C GLN A 59 1.200 -2.931 -7.196 1.00 0.00 C ATOM 912 O GLN A 59 1.910 -3.918 -7.386 1.00 0.00 O ATOM 913 CB GLN A 59 2.571 -1.421 -8.645 1.00 0.00 C ATOM 914 CG GLN A 59 1.731 -1.057 -9.859 1.00 0.00 C ATOM 915 CD GLN A 59 2.555 -0.452 -10.978 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.728 -0.785 -11.151 1.00 0.00 O ATOM 917 NE2 GLN A 59 1.945 0.443 -11.746 1.00 0.00 N ATOM 0 H GLN A 59 3.436 -1.731 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 59 0.930 -0.821 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.354 -0.673 -8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.067 -2.374 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.225 -1.950 -10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.956 -0.351 -9.561 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.972 0.690 -11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.450 0.884 -12.515 1.00 0.00 H new ATOM 926 N VAL A 60 -0.081 -3.016 -6.850 1.00 0.00 N ATOM 927 CA VAL A 60 -0.740 -4.305 -6.671 1.00 0.00 C ATOM 928 C VAL A 60 -1.259 -4.845 -7.998 1.00 0.00 C ATOM 929 O VAL A 60 -2.285 -4.392 -8.507 1.00 0.00 O ATOM 930 CB VAL A 60 -1.911 -4.202 -5.676 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.596 -5.551 -5.517 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.425 -3.680 -4.333 1.00 0.00 C ATOM 0 H VAL A 60 -0.683 -2.208 -6.688 1.00 0.00 H new ATOM 0 HA VAL A 60 0.007 -4.991 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.640 -3.495 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.421 -5.459 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.980 -5.880 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.878 -6.282 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.266 -3.614 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.676 -4.360 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.985 -2.692 -4.465 1.00 0.00 H new ATOM 942 N LYS A 61 -0.545 -5.817 -8.555 1.00 0.00 N ATOM 943 CA LYS A 61 -0.934 -6.423 -9.823 1.00 0.00 C ATOM 944 C LYS A 61 -1.496 -7.824 -9.608 1.00 0.00 C ATOM 945 O LYS A 61 -0.765 -8.815 -9.590 1.00 0.00 O ATOM 946 CB LYS A 61 0.265 -6.482 -10.772 1.00 0.00 C ATOM 947 CG LYS A 61 0.796 -5.115 -11.168 1.00 0.00 C ATOM 948 CD LYS A 61 1.415 -5.138 -12.556 1.00 0.00 C ATOM 949 CE LYS A 61 0.358 -5.005 -13.641 1.00 0.00 C ATOM 950 NZ LYS A 61 -0.310 -6.305 -13.927 1.00 0.00 N ATOM 0 H LYS A 61 0.307 -6.202 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.713 -5.804 -10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.065 -7.050 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.021 -7.026 -11.672 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.015 -4.387 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.540 -4.788 -10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.136 -4.325 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.965 -6.069 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.389 -4.273 -13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.819 -4.625 -14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.565 -6.350 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.338 -7.086 -13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.170 -6.388 -13.348 1.00 0.00 H new ATOM 964 N PRO A 62 -2.824 -7.912 -9.441 1.00 0.00 N ATOM 965 CA PRO A 62 -3.512 -9.188 -9.226 1.00 0.00 C ATOM 966 C PRO A 62 -3.512 -10.064 -10.474 1.00 0.00 C ATOM 967 O PRO A 62 -3.597 -9.565 -11.595 1.00 0.00 O ATOM 968 CB PRO A 62 -4.939 -8.765 -8.870 1.00 0.00 C ATOM 969 CG PRO A 62 -5.108 -7.428 -9.503 1.00 0.00 C ATOM 970 CD PRO A 62 -3.756 -6.772 -9.451 1.00 0.00 C ATOM 0 HA PRO A 62 -3.026 -9.789 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.670 -9.478 -9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.078 -8.712 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.456 -7.524 -10.532 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.851 -6.835 -8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.590 -6.125 -10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.644 -6.153 -8.561 1.00 0.00 H new ATOM 978 N ASN A 63 -3.416 -11.374 -10.272 1.00 0.00 N ATOM 979 CA ASN A 63 -3.405 -12.321 -11.381 1.00 0.00 C ATOM 980 C ASN A 63 -4.786 -12.424 -12.022 1.00 0.00 C ATOM 981 O ASN A 63 -5.795 -12.092 -11.401 1.00 0.00 O ATOM 982 CB ASN A 63 -2.949 -13.699 -10.899 1.00 0.00 C ATOM 983 CG ASN A 63 -4.080 -14.498 -10.280 1.00 0.00 C ATOM 984 OD1 ASN A 63 -4.229 -15.691 -10.545 1.00 0.00 O ATOM 985 ND2 ASN A 63 -4.884 -13.842 -9.452 1.00 0.00 N ATOM 0 H ASN A 63 -3.345 -11.804 -9.350 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.703 -11.956 -12.130 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.532 -14.255 -11.739 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.150 -13.579 -10.168 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.663 -14.327 -9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.723 -12.853 -9.261 1.00 0.00 H new ATOM 992 N ALA A 64 -4.822 -12.889 -13.266 1.00 0.00 N ATOM 993 CA ALA A 64 -6.078 -13.039 -13.990 1.00 0.00 C ATOM 994 C ALA A 64 -6.276 -14.479 -14.452 1.00 0.00 C ATOM 995 O ALA A 64 -7.296 -15.100 -14.155 1.00 0.00 O ATOM 996 CB ALA A 64 -6.119 -12.091 -15.179 1.00 0.00 C ATOM 0 H ALA A 64 -3.995 -13.169 -13.794 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.893 -12.787 -13.311 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.063 -12.214 -15.710 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.032 -11.063 -14.828 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.292 -12.316 -15.852 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.295 -15.002 -15.181 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.365 -16.369 -15.685 1.00 0.00 C ATOM 1004 C GLU A 65 -5.763 -17.338 -14.576 1.00 0.00 C ATOM 1005 O GLU A 65 -6.522 -18.281 -14.803 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.019 -16.784 -16.282 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.836 -16.356 -17.728 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.831 -17.217 -18.469 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -3.008 -18.453 -18.484 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -1.870 -16.655 -19.034 1.00 0.00 O ATOM 0 H GLU A 65 -4.444 -14.501 -15.435 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.127 -16.404 -16.464 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.217 -16.355 -15.681 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.921 -17.868 -16.218 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.797 -16.402 -18.241 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.509 -15.317 -17.757 1.00 0.00 H new ATOM 1017 N ASP A 66 -5.245 -17.100 -13.376 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.546 -17.951 -12.231 1.00 0.00 C ATOM 1019 C ASP A 66 -6.254 -17.158 -11.136 1.00 0.00 C ATOM 1020 O ASP A 66 -6.554 -15.976 -11.305 1.00 0.00 O ATOM 1021 CB ASP A 66 -4.262 -18.572 -11.678 1.00 0.00 C ATOM 1022 CG ASP A 66 -3.562 -19.453 -12.694 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -4.039 -20.582 -12.929 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -2.536 -19.012 -13.254 1.00 0.00 O ATOM 0 H ASP A 66 -4.615 -16.325 -13.171 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.210 -18.747 -12.566 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.585 -17.779 -11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.499 -19.161 -10.792 1.00 0.00 H new ATOM 1029 N LYS A 67 -6.519 -17.817 -10.013 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.191 -17.175 -8.889 1.00 0.00 C ATOM 1031 C LYS A 67 -6.346 -17.270 -7.623 1.00 0.00 C ATOM 1032 O LYS A 67 -5.494 -18.150 -7.497 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.559 -17.819 -8.652 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.432 -17.051 -7.675 1.00 0.00 C ATOM 1035 CD LYS A 67 -9.954 -15.762 -8.288 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.230 -15.999 -9.082 1.00 0.00 C ATOM 1037 NZ LYS A 67 -12.426 -16.078 -8.199 1.00 0.00 N ATOM 0 H LYS A 67 -6.279 -18.796 -9.857 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.329 -16.122 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.082 -17.903 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.414 -18.832 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.271 -17.675 -7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.859 -16.822 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.145 -15.034 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.193 -15.334 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.364 -15.193 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.137 -16.924 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.076 -16.806 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.129 -16.326 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.910 -15.158 -8.187 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.588 -16.360 -6.686 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.852 -16.342 -5.428 1.00 0.00 C ATOM 1053 C LYS A 68 -4.363 -16.116 -5.672 1.00 0.00 C ATOM 1054 O LYS A 68 -3.524 -16.884 -5.201 1.00 0.00 O ATOM 1055 CB LYS A 68 -6.062 -17.655 -4.671 1.00 0.00 C ATOM 1056 CG LYS A 68 -7.260 -17.634 -3.738 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.522 -19.004 -3.136 1.00 0.00 C ATOM 1058 CE LYS A 68 -8.026 -19.986 -4.182 1.00 0.00 C ATOM 1059 NZ LYS A 68 -8.558 -21.232 -3.564 1.00 0.00 N ATOM 0 H LYS A 68 -7.289 -15.624 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.233 -15.518 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.187 -18.464 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.166 -17.879 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.088 -16.912 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.142 -17.301 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.605 -19.387 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.256 -18.916 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.808 -19.513 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.214 -20.237 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.891 -21.875 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.805 -21.697 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.349 -20.996 -2.932 1.00 0.00 H new ATOM 1073 N SER A 69 -4.042 -15.059 -6.410 1.00 0.00 N ATOM 1074 CA SER A 69 -2.654 -14.734 -6.718 1.00 0.00 C ATOM 1075 C SER A 69 -2.500 -13.248 -7.026 1.00 0.00 C ATOM 1076 O SER A 69 -3.378 -12.632 -7.630 1.00 0.00 O ATOM 1077 CB SER A 69 -2.165 -15.566 -7.906 1.00 0.00 C ATOM 1078 OG SER A 69 -0.786 -15.866 -7.785 1.00 0.00 O ATOM 0 H SER A 69 -4.724 -14.412 -6.806 1.00 0.00 H new ATOM 0 HA SER A 69 -2.048 -14.971 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.738 -16.491 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.342 -15.021 -8.833 1.00 0.00 H new ATOM 0 HG SER A 69 -0.498 -16.400 -8.555 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.375 -12.677 -6.606 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.104 -11.262 -6.834 1.00 0.00 C ATOM 1086 C PHE A 70 0.387 -10.966 -6.702 1.00 0.00 C ATOM 1087 O PHE A 70 1.067 -11.522 -5.839 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.896 -10.403 -5.847 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.272 -10.328 -4.483 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.259 -11.435 -3.650 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.698 -9.149 -4.034 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -0.685 -11.369 -2.394 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.122 -9.077 -2.779 1.00 0.00 C ATOM 1094 CZ PHE A 70 -0.117 -10.188 -1.958 1.00 0.00 C ATOM 0 H PHE A 70 -0.637 -13.172 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.417 -11.017 -7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.991 -9.395 -6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.905 -10.806 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.703 -12.361 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.701 -8.277 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.681 -12.240 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.324 -8.153 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.330 -10.133 -0.977 1.00 0.00 H new ATOM 1104 N ASP A 71 0.888 -10.087 -7.563 1.00 0.00 N ATOM 1105 CA ASP A 71 2.298 -9.716 -7.542 1.00 0.00 C ATOM 1106 C ASP A 71 2.475 -8.282 -7.053 1.00 0.00 C ATOM 1107 O ASP A 71 1.894 -7.349 -7.608 1.00 0.00 O ATOM 1108 CB ASP A 71 2.908 -9.871 -8.936 1.00 0.00 C ATOM 1109 CG ASP A 71 3.477 -11.257 -9.168 1.00 0.00 C ATOM 1110 OD1 ASP A 71 4.121 -11.796 -8.244 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.278 -11.803 -10.274 1.00 0.00 O ATOM 0 H ASP A 71 0.339 -9.618 -8.284 1.00 0.00 H new ATOM 0 HA ASP A 71 2.814 -10.383 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.146 -9.664 -9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.697 -9.131 -9.069 1.00 0.00 H new ATOM 1116 N LEU A 72 3.280 -8.114 -6.009 1.00 0.00 N ATOM 1117 CA LEU A 72 3.533 -6.793 -5.443 1.00 0.00 C ATOM 1118 C LEU A 72 4.842 -6.216 -5.972 1.00 0.00 C ATOM 1119 O LEU A 72 5.925 -6.674 -5.609 1.00 0.00 O ATOM 1120 CB LEU A 72 3.577 -6.871 -3.916 1.00 0.00 C ATOM 1121 CG LEU A 72 3.381 -5.551 -3.171 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.976 -5.014 -3.397 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.651 -5.732 -1.684 1.00 0.00 C ATOM 0 H LEU A 72 3.768 -8.875 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 72 2.719 -6.134 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.808 -7.569 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.538 -7.292 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 72 4.093 -4.825 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.855 -4.074 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.818 -4.845 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.247 -5.737 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.507 -4.782 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.963 -6.473 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.677 -6.071 -1.539 1.00 0.00 H new ATOM 1135 N ILE A 73 4.733 -5.207 -6.830 1.00 0.00 N ATOM 1136 CA ILE A 73 5.908 -4.565 -7.406 1.00 0.00 C ATOM 1137 C ILE A 73 6.375 -3.397 -6.544 1.00 0.00 C ATOM 1138 O ILE A 73 5.660 -2.408 -6.382 1.00 0.00 O ATOM 1139 CB ILE A 73 5.629 -4.056 -8.833 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.279 -5.226 -9.755 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.833 -3.295 -9.368 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.379 -4.837 -10.908 1.00 0.00 C ATOM 0 H ILE A 73 3.844 -4.817 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 73 6.693 -5.321 -7.445 1.00 0.00 H new ATOM 0 HB ILE A 73 4.778 -3.375 -8.801 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.200 -5.654 -10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.791 -6.006 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.621 -2.942 -10.377 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.041 -2.443 -8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.700 -3.955 -9.389 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.172 -5.715 -11.520 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.443 -4.436 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.873 -4.079 -11.516 1.00 0.00 H new ATOM 1154 N SER A 74 7.579 -3.518 -5.994 1.00 0.00 N ATOM 1155 CA SER A 74 8.141 -2.473 -5.147 1.00 0.00 C ATOM 1156 C SER A 74 9.094 -1.584 -5.940 1.00 0.00 C ATOM 1157 O SER A 74 9.293 -1.782 -7.139 1.00 0.00 O ATOM 1158 CB SER A 74 8.875 -3.092 -3.956 1.00 0.00 C ATOM 1159 OG SER A 74 8.170 -4.212 -3.448 1.00 0.00 O ATOM 0 H SER A 74 8.184 -4.330 -6.120 1.00 0.00 H new ATOM 0 HA SER A 74 7.320 -1.858 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.876 -3.396 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.993 -2.346 -3.170 1.00 0.00 H new ATOM 0 HG SER A 74 8.633 -5.036 -3.708 1.00 0.00 H new ATOM 1165 N HIS A 75 9.681 -0.603 -5.262 1.00 0.00 N ATOM 1166 CA HIS A 75 10.614 0.317 -5.902 1.00 0.00 C ATOM 1167 C HIS A 75 11.806 -0.436 -6.484 1.00 0.00 C ATOM 1168 O HIS A 75 12.695 -0.871 -5.753 1.00 0.00 O ATOM 1169 CB HIS A 75 11.098 1.365 -4.900 1.00 0.00 C ATOM 1170 CG HIS A 75 11.453 2.677 -5.529 1.00 0.00 C ATOM 1171 ND1 HIS A 75 11.841 2.978 -6.791 1.00 0.00 N flip ATOM 1172 CD2 HIS A 75 11.433 3.872 -4.842 1.00 0.00 C flip ATOM 1173 CE1 HIS A 75 12.044 4.335 -6.842 1.00 0.00 C flip ATOM 1174 NE2 HIS A 75 11.791 4.851 -5.653 1.00 0.00 N flip ATOM 0 H HIS A 75 9.527 -0.425 -4.270 1.00 0.00 H new ATOM 0 HA HIS A 75 10.091 0.818 -6.716 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.321 1.528 -4.153 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.970 0.977 -4.373 1.00 0.00 H new ATOM 0 HD1 HIS A 75 11.960 2.319 -7.561 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.166 3.989 -3.802 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.359 4.890 -7.713 1.00 0.00 H new ATOM 1183 N ASN A 76 11.818 -0.586 -7.805 1.00 0.00 N ATOM 1184 CA ASN A 76 12.900 -1.288 -8.485 1.00 0.00 C ATOM 1185 C ASN A 76 13.035 -2.716 -7.964 1.00 0.00 C ATOM 1186 O ASN A 76 14.142 -3.202 -7.736 1.00 0.00 O ATOM 1187 CB ASN A 76 14.220 -0.538 -8.296 1.00 0.00 C ATOM 1188 CG ASN A 76 14.113 0.927 -8.675 1.00 0.00 C ATOM 1189 OD1 ASN A 76 13.121 1.355 -9.265 1.00 0.00 O ATOM 1190 ND2 ASN A 76 15.136 1.702 -8.337 1.00 0.00 N ATOM 0 H ASN A 76 11.090 -0.231 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 76 12.661 -1.329 -9.548 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.535 -0.619 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.993 -1.011 -8.901 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.120 2.696 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.938 1.304 -7.848 1.00 0.00 H new ATOM 1197 N ARG A 77 11.900 -3.382 -7.779 1.00 0.00 N ATOM 1198 CA ARG A 77 11.890 -4.753 -7.285 1.00 0.00 C ATOM 1199 C ARG A 77 10.491 -5.355 -7.379 1.00 0.00 C ATOM 1200 O ARG A 77 9.490 -4.647 -7.274 1.00 0.00 O ATOM 1201 CB ARG A 77 12.381 -4.799 -5.837 1.00 0.00 C ATOM 1202 CG ARG A 77 12.771 -6.192 -5.370 1.00 0.00 C ATOM 1203 CD ARG A 77 13.531 -6.146 -4.054 1.00 0.00 C ATOM 1204 NE ARG A 77 12.904 -5.244 -3.091 1.00 0.00 N ATOM 1205 CZ ARG A 77 13.216 -3.958 -2.978 1.00 0.00 C ATOM 1206 NH1 ARG A 77 14.141 -3.425 -3.765 1.00 0.00 N ATOM 1207 NH2 ARG A 77 12.601 -3.201 -2.078 1.00 0.00 N ATOM 0 H ARG A 77 10.975 -2.994 -7.964 1.00 0.00 H new ATOM 0 HA ARG A 77 12.562 -5.342 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.240 -4.136 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.598 -4.412 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 77 11.875 -6.802 -5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.387 -6.673 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.583 -7.149 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.556 -5.824 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 77 12.187 -5.623 -2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.615 -4.003 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.379 -2.437 -3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.888 -3.607 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.842 -2.213 -1.992 1.00 0.00 H new ATOM 1221 N THR A 78 10.430 -6.669 -7.577 1.00 0.00 N ATOM 1222 CA THR A 78 9.155 -7.366 -7.687 1.00 0.00 C ATOM 1223 C THR A 78 9.011 -8.423 -6.598 1.00 0.00 C ATOM 1224 O THR A 78 9.973 -9.113 -6.258 1.00 0.00 O ATOM 1225 CB THR A 78 9.000 -8.039 -9.064 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.248 -7.088 -10.105 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.604 -8.623 -9.226 1.00 0.00 C ATOM 0 H THR A 78 11.249 -7.271 -7.664 1.00 0.00 H new ATOM 0 HA THR A 78 8.373 -6.616 -7.567 1.00 0.00 H new ATOM 0 HB THR A 78 9.726 -8.849 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.149 -7.524 -10.977 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.518 -9.093 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.429 -9.368 -8.450 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.864 -7.827 -9.139 1.00 0.00 H new ATOM 1235 N TYR A 79 7.805 -8.545 -6.055 1.00 0.00 N ATOM 1236 CA TYR A 79 7.536 -9.518 -5.003 1.00 0.00 C ATOM 1237 C TYR A 79 6.456 -10.505 -5.436 1.00 0.00 C ATOM 1238 O TYR A 79 5.545 -10.156 -6.187 1.00 0.00 O ATOM 1239 CB TYR A 79 7.107 -8.806 -3.719 1.00 0.00 C ATOM 1240 CG TYR A 79 8.243 -8.113 -3.001 1.00 0.00 C ATOM 1241 CD1 TYR A 79 8.992 -7.128 -3.634 1.00 0.00 C ATOM 1242 CD2 TYR A 79 8.570 -8.445 -1.692 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.031 -6.493 -2.983 1.00 0.00 C ATOM 1244 CE2 TYR A 79 9.607 -7.814 -1.033 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.335 -6.839 -1.682 1.00 0.00 C ATOM 1246 OH TYR A 79 11.369 -6.209 -1.030 1.00 0.00 O ATOM 0 H TYR A 79 6.998 -7.982 -6.326 1.00 0.00 H new ATOM 0 HA TYR A 79 8.455 -10.073 -4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.339 -8.071 -3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.652 -9.532 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.757 -6.855 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.004 -9.210 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.603 -5.729 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.846 -8.083 -0.015 1.00 0.00 H new ATOM 0 HH TYR A 79 11.450 -6.568 -0.122 1.00 0.00 H new ATOM 1256 N HIS A 80 6.565 -11.740 -4.956 1.00 0.00 N ATOM 1257 CA HIS A 80 5.597 -12.778 -5.292 1.00 0.00 C ATOM 1258 C HIS A 80 4.847 -13.244 -4.048 1.00 0.00 C ATOM 1259 O HIS A 80 5.452 -13.716 -3.085 1.00 0.00 O ATOM 1260 CB HIS A 80 6.300 -13.965 -5.951 1.00 0.00 C ATOM 1261 CG HIS A 80 7.331 -13.565 -6.961 1.00 0.00 C ATOM 1262 ND1 HIS A 80 7.056 -12.743 -8.033 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.645 -13.877 -7.056 1.00 0.00 C ATOM 1264 CE1 HIS A 80 8.155 -12.568 -8.745 1.00 0.00 C ATOM 1265 NE2 HIS A 80 9.134 -13.246 -8.173 1.00 0.00 N ATOM 0 H HIS A 80 7.313 -12.046 -4.334 1.00 0.00 H new ATOM 0 HA HIS A 80 4.877 -12.356 -5.993 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.775 -14.570 -5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.554 -14.595 -6.435 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.146 -12.334 -8.244 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.205 -14.505 -6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.239 -11.972 -9.642 1.00 0.00 H new ATOM 1274 N PHE A 81 3.525 -13.107 -4.075 1.00 0.00 N ATOM 1275 CA PHE A 81 2.691 -13.512 -2.949 1.00 0.00 C ATOM 1276 C PHE A 81 1.532 -14.387 -3.417 1.00 0.00 C ATOM 1277 O PHE A 81 1.050 -14.246 -4.540 1.00 0.00 O ATOM 1278 CB PHE A 81 2.153 -12.281 -2.217 1.00 0.00 C ATOM 1279 CG PHE A 81 3.223 -11.465 -1.549 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.923 -11.970 -0.465 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.529 -10.193 -2.006 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.907 -11.221 0.151 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.513 -9.439 -1.394 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.203 -9.954 -0.315 1.00 0.00 C ATOM 0 H PHE A 81 3.008 -12.719 -4.864 1.00 0.00 H new ATOM 0 HA PHE A 81 3.307 -14.093 -2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.617 -11.651 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.430 -12.601 -1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.697 -12.960 -0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.992 -9.786 -2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.444 -11.625 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.741 -8.449 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.973 -9.368 0.164 1.00 0.00 H new ATOM 1294 N GLN A 82 1.091 -15.290 -2.547 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.010 -16.189 -2.872 1.00 0.00 C ATOM 1296 C GLN A 82 -0.928 -16.381 -1.670 1.00 0.00 C ATOM 1297 O GLN A 82 -0.475 -16.729 -0.580 1.00 0.00 O ATOM 1298 CB GLN A 82 0.529 -17.542 -3.339 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.461 -18.334 -4.178 1.00 0.00 C ATOM 1300 CD GLN A 82 0.109 -19.653 -4.663 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.445 -20.719 -4.392 1.00 0.00 O ATOM 1302 NE2 GLN A 82 1.222 -19.587 -5.384 1.00 0.00 N ATOM 0 H GLN A 82 1.479 -15.418 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.588 -15.739 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.438 -17.381 -3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.808 -18.133 -2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.359 -18.525 -3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.764 -17.736 -5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.647 -18.682 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.652 -20.442 -5.738 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.221 -16.151 -1.876 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.203 -16.300 -0.809 1.00 0.00 C ATOM 1313 C ALA A 83 -3.568 -17.766 -0.601 1.00 0.00 C ATOM 1314 O ALA A 83 -3.507 -18.569 -1.532 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.449 -15.483 -1.120 1.00 0.00 C ATOM 0 H ALA A 83 -2.613 -15.861 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.759 -15.928 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.174 -15.604 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.180 -14.431 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.886 -15.829 -2.057 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.947 -18.108 0.627 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.321 -19.479 0.956 1.00 0.00 C ATOM 1323 C GLU A 84 -5.765 -19.761 0.553 1.00 0.00 C ATOM 1324 O GLU A 84 -6.059 -20.783 -0.069 1.00 0.00 O ATOM 1325 CB GLU A 84 -4.139 -19.734 2.454 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.686 -19.880 2.874 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.111 -21.238 2.522 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.588 -21.848 1.542 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.184 -21.691 3.226 1.00 0.00 O ATOM 0 H GLU A 84 -4.003 -17.456 1.409 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.669 -20.151 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.589 -18.912 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.681 -20.639 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.093 -19.103 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.605 -19.723 3.950 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.662 -18.849 0.910 1.00 0.00 N ATOM 1337 CA ASP A 85 -8.076 -18.999 0.586 1.00 0.00 C ATOM 1338 C ASP A 85 -8.620 -17.734 -0.070 1.00 0.00 C ATOM 1339 O ASP A 85 -8.003 -16.672 0.003 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.880 -19.320 1.847 1.00 0.00 C ATOM 1341 CG ASP A 85 -10.110 -20.155 1.552 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -9.961 -21.242 0.956 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -11.223 -19.722 1.918 1.00 0.00 O ATOM 0 H ASP A 85 -6.435 -17.998 1.424 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.176 -19.825 -0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.244 -19.852 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.183 -18.390 2.328 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.777 -17.857 -0.712 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.402 -16.723 -1.383 1.00 0.00 C ATOM 1350 C GLU A 86 -10.709 -15.605 -0.390 1.00 0.00 C ATOM 1351 O GLU A 86 -10.543 -14.425 -0.698 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.688 -17.163 -2.086 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.473 -17.619 -3.519 1.00 0.00 C ATOM 1354 CD GLU A 86 -11.452 -16.464 -4.501 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -10.886 -15.404 -4.158 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -12.000 -16.619 -5.613 1.00 0.00 O ATOM 0 H GLU A 86 -10.300 -18.730 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.702 -16.343 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.142 -17.976 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.397 -16.335 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.532 -18.165 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.265 -18.314 -3.798 1.00 0.00 H new ATOM 1363 N GLN A 87 -11.158 -15.987 0.801 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.489 -15.017 1.839 1.00 0.00 C ATOM 1365 C GLN A 87 -10.277 -14.160 2.189 1.00 0.00 C ATOM 1366 O GLN A 87 -10.415 -12.989 2.546 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.002 -15.732 3.090 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.432 -16.232 2.961 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.092 -16.465 4.306 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -13.445 -16.892 5.262 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -15.387 -16.185 4.387 1.00 0.00 N ATOM 0 H GLN A 87 -11.301 -16.960 1.071 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.273 -14.365 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.349 -16.577 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.939 -15.051 3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.017 -15.507 2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.438 -17.161 2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.885 -15.833 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.884 -16.322 5.267 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.092 -14.750 2.086 1.00 0.00 N ATOM 1381 CA ASP A 88 -7.855 -14.040 2.392 1.00 0.00 C ATOM 1382 C ASP A 88 -7.429 -13.161 1.220 1.00 0.00 C ATOM 1383 O ASP A 88 -6.990 -12.027 1.410 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.743 -15.033 2.732 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.617 -14.394 3.521 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -5.907 -13.749 4.550 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.447 -14.539 3.110 1.00 0.00 O ATOM 0 H ASP A 88 -8.961 -15.718 1.793 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.036 -13.400 3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.161 -15.860 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.343 -15.455 1.810 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.561 -13.693 0.010 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.186 -12.958 -1.192 1.00 0.00 C ATOM 1394 C TYR A 89 -8.104 -11.758 -1.406 1.00 0.00 C ATOM 1395 O TYR A 89 -7.642 -10.629 -1.568 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.238 -13.877 -2.414 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.102 -13.144 -3.729 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -8.215 -12.621 -4.374 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -5.858 -12.974 -4.326 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -8.095 -11.952 -5.577 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -5.729 -12.305 -5.528 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.850 -11.796 -6.149 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.727 -11.129 -7.346 1.00 0.00 O ATOM 0 H TYR A 89 -7.925 -14.630 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.167 -12.594 -1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.441 -14.617 -2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.181 -14.423 -2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.191 -12.739 -3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.978 -13.371 -3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.971 -11.554 -6.067 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.755 -12.181 -5.979 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.784 -11.105 -7.612 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.409 -12.012 -1.403 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.394 -10.954 -1.595 1.00 0.00 C ATOM 1415 C VAL A 90 -10.141 -9.790 -0.643 1.00 0.00 C ATOM 1416 O VAL A 90 -10.383 -8.632 -0.985 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.827 -11.476 -1.380 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.817 -10.321 -1.346 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -12.198 -12.475 -2.466 1.00 0.00 C ATOM 0 H VAL A 90 -9.808 -12.941 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.292 -10.608 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.869 -11.987 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.824 -10.709 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.561 -9.646 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.777 -9.779 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.214 -12.834 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.140 -11.991 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.506 -13.317 -2.437 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.654 -10.104 0.552 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.366 -9.084 1.552 1.00 0.00 C ATOM 1431 C ALA A 91 -8.103 -8.306 1.196 1.00 0.00 C ATOM 1432 O ALA A 91 -8.157 -7.107 0.926 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.226 -9.718 2.928 1.00 0.00 C ATOM 0 H ALA A 91 -9.450 -11.058 0.852 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.201 -8.383 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.011 -8.944 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.155 -10.223 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.411 -10.442 2.914 1.00 0.00 H new ATOM 1439 N TRP A 92 -6.969 -8.997 1.198 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.692 -8.370 0.875 1.00 0.00 C ATOM 1441 C TRP A 92 -5.859 -7.330 -0.228 1.00 0.00 C ATOM 1442 O TRP A 92 -5.742 -6.129 0.017 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.675 -9.428 0.444 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.098 -10.199 1.593 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.173 -11.548 1.795 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.359 -9.667 2.697 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.526 -11.886 2.959 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.017 -10.750 3.531 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -2.952 -8.381 3.063 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.289 -10.584 4.706 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.229 -8.218 4.229 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.903 -9.314 5.039 1.00 0.00 C ATOM 0 H TRP A 92 -6.907 -9.991 1.419 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.326 -7.868 1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.154 -10.122 -0.246 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.866 -8.943 -0.102 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.668 -12.246 1.136 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.439 -12.830 3.336 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.198 -7.530 2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.038 -11.427 5.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.910 -7.229 4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.336 -9.153 5.944 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.135 -7.799 -1.440 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.319 -6.908 -2.579 1.00 0.00 C ATOM 1465 C ILE A 93 -7.080 -5.649 -2.175 1.00 0.00 C ATOM 1466 O ILE A 93 -6.625 -4.532 -2.417 1.00 0.00 O ATOM 1467 CB ILE A 93 -7.077 -7.607 -3.723 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.275 -8.803 -4.239 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -7.357 -6.624 -4.851 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.927 -8.425 -4.812 1.00 0.00 C ATOM 0 H ILE A 93 -6.236 -8.790 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.324 -6.632 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.030 -7.971 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.128 -9.511 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.856 -9.316 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.893 -7.133 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.964 -5.801 -4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.415 -6.234 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.414 -9.322 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.066 -7.741 -5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.328 -7.939 -4.042 1.00 0.00 H new ATOM 1482 N SER A 94 -8.241 -5.839 -1.556 1.00 0.00 N ATOM 1483 CA SER A 94 -9.067 -4.720 -1.119 1.00 0.00 C ATOM 1484 C SER A 94 -8.275 -3.782 -0.213 1.00 0.00 C ATOM 1485 O SER A 94 -8.320 -2.562 -0.371 1.00 0.00 O ATOM 1486 CB SER A 94 -10.308 -5.230 -0.385 1.00 0.00 C ATOM 1487 OG SER A 94 -11.370 -4.295 -0.468 1.00 0.00 O ATOM 0 H SER A 94 -8.631 -6.758 -1.346 1.00 0.00 H new ATOM 0 HA SER A 94 -9.380 -4.165 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.623 -6.181 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.065 -5.417 0.661 1.00 0.00 H new ATOM 0 HG SER A 94 -11.812 -4.224 0.404 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.549 -4.361 0.738 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.746 -3.579 1.670 1.00 0.00 C ATOM 1495 C VAL A 95 -5.563 -2.927 0.963 1.00 0.00 C ATOM 1496 O VAL A 95 -5.524 -1.709 0.789 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.222 -4.450 2.828 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.093 -3.626 4.100 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.135 -5.646 3.049 1.00 0.00 C ATOM 0 H VAL A 95 -7.501 -5.369 0.883 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.396 -2.803 2.074 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.232 -4.821 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.722 -4.258 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.396 -2.805 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.069 -3.224 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.750 -6.251 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.138 -5.297 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.172 -6.248 2.141 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.600 -3.747 0.557 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.414 -3.251 -0.133 1.00 0.00 C ATOM 1511 C LEU A 96 -3.754 -2.044 -1.001 1.00 0.00 C ATOM 1512 O LEU A 96 -3.081 -1.013 -0.943 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.801 -4.356 -0.995 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.275 -5.580 -0.243 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.095 -6.754 -1.192 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.964 -5.252 0.458 1.00 0.00 C ATOM 0 H LEU A 96 -4.617 -4.758 0.693 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.689 -2.942 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.552 -4.689 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.980 -3.927 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.008 -5.861 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.720 -7.615 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.053 -7.004 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.382 -6.486 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.604 -6.134 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.223 -4.945 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.124 -4.442 1.169 1.00 0.00 H new ATOM 1528 N THR A 97 -4.804 -2.176 -1.806 1.00 0.00 N ATOM 1529 CA THR A 97 -5.234 -1.097 -2.685 1.00 0.00 C ATOM 1530 C THR A 97 -5.815 0.064 -1.886 1.00 0.00 C ATOM 1531 O THR A 97 -5.435 1.217 -2.084 1.00 0.00 O ATOM 1532 CB THR A 97 -6.285 -1.584 -3.700 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.968 -2.911 -4.135 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.351 -0.653 -4.901 1.00 0.00 C ATOM 0 H THR A 97 -5.372 -3.021 -1.867 1.00 0.00 H new ATOM 0 HA THR A 97 -4.350 -0.757 -3.224 1.00 0.00 H new ATOM 0 HB THR A 97 -7.258 -1.586 -3.209 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.614 -3.543 -3.755 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.100 -1.018 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.622 0.349 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.378 -0.622 -5.392 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.738 -0.248 -0.983 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.372 0.770 -0.153 1.00 0.00 C ATOM 1544 C ASN A 98 -6.329 1.549 0.644 1.00 0.00 C ATOM 1545 O ASN A 98 -6.172 2.756 0.466 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.382 0.127 0.799 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.603 -0.404 0.073 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -9.895 0.001 -1.052 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.325 -1.314 0.717 1.00 0.00 N ATOM 0 H ASN A 98 -7.064 -1.198 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.895 1.465 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.900 -0.688 1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.695 0.860 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.159 -1.706 0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.045 -1.621 1.649 1.00 0.00 H new ATOM 1556 N SER A 99 -5.619 0.848 1.522 1.00 0.00 N ATOM 1557 CA SER A 99 -4.594 1.473 2.349 1.00 0.00 C ATOM 1558 C SER A 99 -3.797 2.496 1.545 1.00 0.00 C ATOM 1559 O SER A 99 -3.410 3.544 2.062 1.00 0.00 O ATOM 1560 CB SER A 99 -3.652 0.411 2.920 1.00 0.00 C ATOM 1561 OG SER A 99 -3.123 0.818 4.170 1.00 0.00 O ATOM 0 H SER A 99 -5.735 -0.153 1.679 1.00 0.00 H new ATOM 0 HA SER A 99 -5.090 1.989 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.189 -0.530 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.838 0.228 2.219 1.00 0.00 H new ATOM 0 HG SER A 99 -3.572 0.328 4.890 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.556 2.185 0.276 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.807 3.075 -0.602 1.00 0.00 C ATOM 1569 C LYS A 100 -3.535 4.404 -0.779 1.00 0.00 C ATOM 1570 O LYS A 100 -3.020 5.458 -0.408 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.588 2.416 -1.965 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.692 3.219 -2.893 1.00 0.00 C ATOM 1573 CD LYS A 100 -2.492 4.215 -3.716 1.00 0.00 C ATOM 1574 CE LYS A 100 -1.582 5.123 -4.529 1.00 0.00 C ATOM 1575 NZ LYS A 100 -2.326 5.835 -5.605 1.00 0.00 N ATOM 0 H LYS A 100 -3.869 1.322 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.839 3.269 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.150 1.429 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.554 2.267 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.942 3.749 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.156 2.542 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.165 3.679 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.114 4.819 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.113 5.852 -3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.781 4.532 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.674 6.456 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.739 5.140 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.085 6.406 -5.182 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.736 4.344 -1.346 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.534 5.544 -1.570 1.00 0.00 C ATOM 1591 C GLU A 101 -5.886 6.219 -0.248 1.00 0.00 C ATOM 1592 O GLU A 101 -5.640 7.411 -0.064 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.814 5.196 -2.334 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.577 4.320 -3.552 1.00 0.00 C ATOM 1595 CD GLU A 101 -7.853 4.031 -4.320 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -8.687 3.252 -3.814 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -8.016 4.586 -5.427 1.00 0.00 O ATOM 0 H GLU A 101 -5.177 3.479 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.940 6.238 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.503 4.687 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.301 6.119 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.862 4.810 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.126 3.379 -3.236 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.461 5.448 0.669 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.847 5.972 1.974 1.00 0.00 C ATOM 1606 C GLU A 102 -5.742 6.848 2.557 1.00 0.00 C ATOM 1607 O GLU A 102 -6.008 7.774 3.323 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.165 4.825 2.936 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.495 4.146 2.655 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.665 4.867 3.295 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.981 4.562 4.464 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.264 5.736 2.628 1.00 0.00 O ATOM 0 H GLU A 102 -6.670 4.459 0.533 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.740 6.583 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.369 4.083 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.171 5.209 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.651 4.093 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.460 3.120 3.023 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.501 6.548 2.189 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.355 7.308 2.673 1.00 0.00 C ATOM 1621 C ALA A 103 -3.221 8.633 1.931 1.00 0.00 C ATOM 1622 O ALA A 103 -2.957 9.672 2.537 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.081 6.489 2.531 1.00 0.00 C ATOM 0 H ALA A 103 -4.263 5.784 1.557 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.516 7.529 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.233 7.069 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.171 5.572 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.924 6.239 1.482 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.404 8.589 0.616 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.303 9.787 -0.211 1.00 0.00 C ATOM 1631 C LEU A 104 -4.501 10.705 0.011 1.00 0.00 C ATOM 1632 O LEU A 104 -4.344 11.887 0.317 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.206 9.404 -1.689 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.802 9.102 -2.213 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.876 8.357 -3.537 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -1.001 10.387 -2.366 1.00 0.00 C ATOM 0 H LEU A 104 -3.623 7.737 0.099 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.399 10.323 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.832 8.528 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.627 10.216 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.294 8.465 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.867 8.150 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.411 7.418 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.403 8.968 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.004 10.152 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.506 11.049 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.918 10.882 -1.398 1.00 0.00 H new ATOM 1648 N THR A 105 -5.700 10.152 -0.143 1.00 0.00 N ATOM 1649 CA THR A 105 -6.926 10.919 0.041 1.00 0.00 C ATOM 1650 C THR A 105 -6.876 11.733 1.329 1.00 0.00 C ATOM 1651 O THR A 105 -7.382 12.853 1.386 1.00 0.00 O ATOM 1652 CB THR A 105 -8.163 10.002 0.074 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.353 10.780 -0.095 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.234 9.236 1.386 1.00 0.00 C ATOM 0 H THR A 105 -5.848 9.175 -0.395 1.00 0.00 H new ATOM 0 HA THR A 105 -7.007 11.595 -0.810 1.00 0.00 H new ATOM 0 HB THR A 105 -8.079 9.285 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.135 10.190 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.116 8.595 1.386 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.340 8.623 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.297 9.940 2.216 1.00 0.00 H new