USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 640 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 67 SER OG : rot -133:sc= -1.59 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -153:sc= 0.928 (180deg=-0.275) USER MOD Set 2.1: A 5 CYS SG : rot 104:sc= 3.07 USER MOD Set 2.2: A 10 CYS SG : rot 166:sc= -0.464! USER MOD Set 2.3: A 12 ASN : amide:sc= 1.08 K(o=-4.1,f=-7) USER MOD Set 2.4: A 54 CYS SG : rot -101:sc= -5.05! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -2.77 K(o=-4.1,f=-17!) USER MOD Single : A 6 SER OG : rot -120:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= 1.3 (180deg=1.13) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0036) USER MOD Single : A 21 SER OG : rot 180:sc=-0.000228 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -7.11! C(o=-9.4!,f=-7.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.123 USER MOD Single : A 33 CYS SG : rot 23:sc= -0.709! USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00485) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.2!) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc=-0.00188 (180deg=-0.178) USER MOD Single : A 48 THR OG1 : rot -150:sc= -0.0752 USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= 0.781 (180deg=-0.797) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -3:sc= -2.84! USER MOD Single : A 52 SER OG : rot 180:sc= 0.038 USER MOD Single : A 55 SER OG : rot 110:sc= -0.697 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0892 USER MOD Single : A 62 SER OG : rot -146:sc= -2.26 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0185 F(o=-1.3,f=-0.018) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.582 1.563 -3.969 1.00 10.00 N ATOM 65 CA CYS A 5 -7.758 2.170 -2.941 1.00 10.00 C ATOM 66 C CYS A 5 -8.559 2.325 -1.656 1.00 10.00 C ATOM 67 O CYS A 5 -9.758 2.059 -1.635 1.00 10.00 O ATOM 68 CB CYS A 5 -7.260 3.533 -3.419 1.00 10.00 C ATOM 69 SG CYS A 5 -7.007 3.614 -5.201 1.00 10.00 S ATOM 0 HA CYS A 5 -6.900 1.527 -2.743 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.979 4.298 -3.126 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.322 3.767 -2.915 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.982 4.278 -5.748 1.00 10.00 H new ATOM 74 N SER A 6 -7.893 2.768 -0.601 1.00 10.00 N ATOM 75 CA SER A 6 -8.523 2.951 0.704 1.00 10.00 C ATOM 76 C SER A 6 -9.453 4.170 0.740 1.00 10.00 C ATOM 77 O SER A 6 -9.989 4.522 1.788 1.00 10.00 O ATOM 78 CB SER A 6 -7.435 3.076 1.763 1.00 10.00 C ATOM 79 OG SER A 6 -6.448 2.073 1.580 1.00 10.00 O ATOM 0 H SER A 6 -6.903 3.011 -0.622 1.00 10.00 H new ATOM 0 HA SER A 6 -9.147 2.081 0.906 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.975 4.062 1.706 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.874 2.986 2.757 1.00 10.00 H new ATOM 0 HG SER A 6 -6.397 1.513 2.383 1.00 10.00 H new ATOM 85 N ALA A 7 -9.628 4.816 -0.406 1.00 10.00 N ATOM 86 CA ALA A 7 -10.490 5.989 -0.506 1.00 10.00 C ATOM 87 C ALA A 7 -11.960 5.590 -0.566 1.00 10.00 C ATOM 88 O ALA A 7 -12.301 4.415 -0.477 1.00 10.00 O ATOM 89 CB ALA A 7 -10.125 6.803 -1.732 1.00 10.00 C ATOM 0 H ALA A 7 -9.183 4.547 -1.283 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.338 6.595 0.387 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.775 7.676 -1.796 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -9.087 7.128 -1.657 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.250 6.191 -2.625 1.00 10.00 H new ATOM 95 N TYR A 8 -12.830 6.570 -0.756 1.00 10.00 N ATOM 96 CA TYR A 8 -14.258 6.312 -0.813 1.00 10.00 C ATOM 97 C TYR A 8 -14.764 6.386 -2.252 1.00 10.00 C ATOM 98 O TYR A 8 -15.197 7.436 -2.721 1.00 10.00 O ATOM 99 CB TYR A 8 -14.990 7.312 0.100 1.00 10.00 C ATOM 100 CG TYR A 8 -16.513 7.285 0.044 1.00 10.00 C ATOM 101 CD1 TYR A 8 -17.219 6.147 -0.342 1.00 10.00 C ATOM 102 CD2 TYR A 8 -17.241 8.420 0.385 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.603 6.149 -0.391 1.00 10.00 C ATOM 104 CE2 TYR A 8 -18.622 8.424 0.339 1.00 10.00 C ATOM 105 CZ TYR A 8 -19.296 7.290 -0.050 1.00 10.00 C ATOM 106 OH TYR A 8 -20.673 7.296 -0.093 1.00 10.00 O ATOM 0 H TYR A 8 -12.571 7.550 -0.873 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.461 5.302 -0.456 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -14.682 7.126 1.129 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.656 8.317 -0.156 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.679 5.250 -0.607 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.718 9.314 0.691 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -19.137 5.261 -0.695 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -19.170 9.315 0.608 1.00 10.00 H new ATOM 0 HH TYR A 8 -21.005 8.177 0.178 1.00 10.00 H new ATOM 116 N GLY A 9 -14.669 5.262 -2.956 1.00 10.00 N ATOM 117 CA GLY A 9 -15.153 5.201 -4.320 1.00 10.00 C ATOM 118 C GLY A 9 -14.052 5.259 -5.363 1.00 10.00 C ATOM 119 O GLY A 9 -14.329 5.461 -6.545 1.00 10.00 O ATOM 0 H GLY A 9 -14.265 4.394 -2.605 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.720 4.279 -4.454 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.844 6.027 -4.488 1.00 10.00 H new ATOM 123 N CYS A 10 -12.805 5.078 -4.949 1.00 10.00 N ATOM 124 CA CYS A 10 -11.699 5.120 -5.893 1.00 10.00 C ATOM 125 C CYS A 10 -11.412 3.750 -6.499 1.00 10.00 C ATOM 126 O CYS A 10 -10.432 3.088 -6.139 1.00 10.00 O ATOM 127 CB CYS A 10 -10.428 5.684 -5.262 1.00 10.00 C ATOM 128 SG CYS A 10 -9.084 5.875 -6.449 1.00 10.00 S ATOM 0 H CYS A 10 -12.537 4.903 -3.980 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.012 5.791 -6.693 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.650 6.652 -4.812 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.104 5.025 -4.456 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.149 6.615 -5.931 1.00 10.00 H new ATOM 133 N LYS A 11 -12.287 3.304 -7.391 1.00 10.00 N ATOM 134 CA LYS A 11 -12.093 2.030 -8.071 1.00 10.00 C ATOM 135 C LYS A 11 -11.195 2.244 -9.288 1.00 10.00 C ATOM 136 O LYS A 11 -11.521 1.863 -10.409 1.00 10.00 O ATOM 137 CB LYS A 11 -13.436 1.431 -8.488 1.00 10.00 C ATOM 138 CG LYS A 11 -14.277 0.967 -7.310 1.00 10.00 C ATOM 139 CD LYS A 11 -15.424 0.075 -7.755 1.00 10.00 C ATOM 140 CE LYS A 11 -15.873 -0.846 -6.629 1.00 10.00 C ATOM 141 NZ LYS A 11 -17.071 -1.642 -6.998 1.00 10.00 N ATOM 0 H LYS A 11 -13.135 3.803 -7.660 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.614 1.327 -7.390 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.997 2.173 -9.056 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.259 0.587 -9.154 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.647 0.425 -6.604 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.674 1.834 -6.782 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -16.262 0.691 -8.081 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -15.113 -0.520 -8.614 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -15.058 -1.520 -6.367 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -16.093 -0.252 -5.742 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -17.340 -2.254 -6.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -17.858 -1.001 -7.223 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.855 -2.230 -7.828 1.00 10.00 H new ATOM 155 N ASN A 12 -10.055 2.867 -9.035 1.00 10.00 N ATOM 156 CA ASN A 12 -9.082 3.184 -10.071 1.00 10.00 C ATOM 157 C ASN A 12 -7.990 2.141 -10.132 1.00 10.00 C ATOM 158 O ASN A 12 -6.802 2.461 -10.077 1.00 10.00 O ATOM 159 CB ASN A 12 -8.474 4.548 -9.819 1.00 10.00 C ATOM 160 CG ASN A 12 -9.479 5.672 -10.037 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.545 5.456 -10.614 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.152 6.877 -9.604 1.00 10.00 N ATOM 0 H ASN A 12 -9.776 3.169 -8.101 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.603 3.192 -11.028 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.096 4.593 -8.798 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.620 4.692 -10.481 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.790 7.660 -9.744 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.261 7.024 -9.129 1.00 10.00 H new ATOM 169 N ARG A 13 -8.440 0.901 -10.175 1.00 10.00 N ATOM 170 CA ARG A 13 -7.586 -0.289 -10.276 1.00 10.00 C ATOM 171 C ARG A 13 -6.361 -0.006 -11.173 1.00 10.00 C ATOM 172 O ARG A 13 -6.484 0.703 -12.174 1.00 10.00 O ATOM 173 CB ARG A 13 -8.418 -1.431 -10.896 1.00 10.00 C ATOM 174 CG ARG A 13 -8.067 -2.850 -10.442 1.00 10.00 C ATOM 175 CD ARG A 13 -6.573 -3.126 -10.496 1.00 10.00 C ATOM 176 NE ARG A 13 -6.263 -4.556 -10.578 1.00 10.00 N ATOM 177 CZ ARG A 13 -5.218 -5.056 -11.243 1.00 10.00 C ATOM 178 NH1 ARG A 13 -4.439 -4.261 -11.969 1.00 10.00 N ATOM 179 NH2 ARG A 13 -4.964 -6.359 -11.198 1.00 10.00 N ATOM 0 H ARG A 13 -9.435 0.677 -10.140 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.230 -0.565 -9.283 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.469 -1.250 -10.671 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.311 -1.382 -11.980 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.424 -3.001 -9.423 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -8.589 -3.569 -11.073 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.145 -2.616 -11.359 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.098 -2.706 -9.609 1.00 10.00 H new ATOM 0 HE ARG A 13 -6.883 -5.209 -10.098 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -4.637 -3.262 -12.021 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -3.643 -4.650 -12.474 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -5.567 -6.978 -10.656 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -4.166 -6.741 -11.706 1.00 10.00 H new ATOM 193 N TYR A 14 -5.191 -0.536 -10.788 1.00 10.00 N ATOM 194 CA TYR A 14 -3.951 -0.361 -11.557 1.00 10.00 C ATOM 195 C TYR A 14 -4.190 -0.513 -13.058 1.00 10.00 C ATOM 196 O TYR A 14 -4.478 -1.610 -13.551 1.00 10.00 O ATOM 197 CB TYR A 14 -2.889 -1.383 -11.124 1.00 10.00 C ATOM 198 CG TYR A 14 -1.466 -0.842 -11.107 1.00 10.00 C ATOM 199 CD1 TYR A 14 -0.759 -0.600 -12.286 1.00 10.00 C ATOM 200 CD2 TYR A 14 -0.829 -0.568 -9.906 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.529 -0.098 -12.260 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.460 -0.070 -9.874 1.00 10.00 C ATOM 203 CZ TYR A 14 1.133 0.165 -11.052 1.00 10.00 C ATOM 204 OH TYR A 14 2.412 0.674 -11.023 1.00 10.00 O ATOM 0 H TYR A 14 -5.078 -1.094 -9.942 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.598 0.650 -11.354 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.138 -1.748 -10.127 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -2.931 -2.240 -11.797 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.227 -0.809 -13.237 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.350 -0.747 -8.977 1.00 10.00 H new ATOM 0 HE1 TYR A 14 1.058 0.087 -13.183 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.938 0.134 -8.927 1.00 10.00 H new ATOM 0 HH TYR A 14 2.691 0.804 -10.093 1.00 10.00 H new ATOM 214 N ASP A 15 -4.087 0.603 -13.750 1.00 10.00 N ATOM 215 CA ASP A 15 -4.251 0.670 -15.194 1.00 10.00 C ATOM 216 C ASP A 15 -3.091 1.473 -15.735 1.00 10.00 C ATOM 217 O ASP A 15 -2.978 2.663 -15.465 1.00 10.00 O ATOM 218 CB ASP A 15 -5.578 1.331 -15.582 1.00 10.00 C ATOM 219 CG ASP A 15 -5.795 1.386 -17.085 1.00 10.00 C ATOM 220 OD1 ASP A 15 -4.981 0.819 -17.842 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.793 2.000 -17.517 1.00 10.00 O ATOM 0 H ASP A 15 -3.884 1.506 -13.321 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.267 -0.336 -15.613 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.400 0.782 -15.121 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.605 2.343 -15.179 1.00 10.00 H new ATOM 226 N LYS A 16 -2.231 0.806 -16.473 1.00 10.00 N ATOM 227 CA LYS A 16 -1.042 1.421 -17.040 1.00 10.00 C ATOM 228 C LYS A 16 -1.381 2.620 -17.923 1.00 10.00 C ATOM 229 O LYS A 16 -0.553 3.510 -18.117 1.00 10.00 O ATOM 230 CB LYS A 16 -0.277 0.364 -17.827 1.00 10.00 C ATOM 231 CG LYS A 16 -0.632 0.313 -19.304 1.00 10.00 C ATOM 232 CD LYS A 16 -1.101 -1.074 -19.711 1.00 10.00 C ATOM 233 CE LYS A 16 -1.277 -1.185 -21.215 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.631 -0.753 -21.657 1.00 10.00 N ATOM 0 H LYS A 16 -2.334 -0.183 -16.700 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.423 1.803 -16.228 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.792 0.555 -17.727 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.469 -0.613 -17.384 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.414 1.041 -19.518 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.237 0.595 -19.899 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.379 -1.817 -19.373 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.046 -1.299 -19.216 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.523 -0.576 -21.713 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.108 -2.217 -21.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.873 -1.229 -22.550 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.330 -1.005 -20.930 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.637 0.277 -21.801 1.00 10.00 H new ATOM 248 N ASP A 17 -2.592 2.638 -18.458 1.00 10.00 N ATOM 249 CA ASP A 17 -3.029 3.734 -19.309 1.00 10.00 C ATOM 250 C ASP A 17 -3.282 4.981 -18.480 1.00 10.00 C ATOM 251 O ASP A 17 -3.122 6.104 -18.959 1.00 10.00 O ATOM 252 CB ASP A 17 -4.294 3.350 -20.061 1.00 10.00 C ATOM 253 CG ASP A 17 -3.995 2.773 -21.427 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.215 1.804 -21.520 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.530 3.295 -22.426 1.00 10.00 O ATOM 0 H ASP A 17 -3.289 1.907 -18.318 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.239 3.943 -20.030 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -4.855 2.621 -19.476 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.930 4.228 -20.171 1.00 10.00 H new ATOM 260 N LYS A 18 -3.690 4.769 -17.237 1.00 10.00 N ATOM 261 CA LYS A 18 -3.959 5.868 -16.321 1.00 10.00 C ATOM 262 C LYS A 18 -2.674 6.211 -15.554 1.00 10.00 C ATOM 263 O LYS A 18 -1.914 5.321 -15.173 1.00 10.00 O ATOM 264 CB LYS A 18 -5.124 5.507 -15.379 1.00 10.00 C ATOM 265 CG LYS A 18 -4.708 5.091 -13.972 1.00 10.00 C ATOM 266 CD LYS A 18 -5.777 4.258 -13.259 1.00 10.00 C ATOM 267 CE LYS A 18 -7.200 4.699 -13.599 1.00 10.00 C ATOM 268 NZ LYS A 18 -8.006 3.590 -14.184 1.00 10.00 N ATOM 0 H LYS A 18 -3.842 3.842 -16.839 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.266 6.753 -16.878 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.792 6.365 -15.306 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.696 4.695 -15.828 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.783 4.517 -14.026 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.496 5.983 -13.382 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.653 3.209 -13.529 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.628 4.330 -12.182 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.690 5.066 -12.698 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.163 5.530 -14.303 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.969 3.929 -14.384 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.562 3.267 -15.067 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.050 2.800 -13.510 1.00 10.00 H new ATOM 282 N PRO A 19 -2.399 7.504 -15.327 1.00 10.00 N ATOM 283 CA PRO A 19 -1.177 7.928 -14.645 1.00 10.00 C ATOM 284 C PRO A 19 -1.251 7.890 -13.116 1.00 10.00 C ATOM 285 O PRO A 19 -1.402 8.925 -12.462 1.00 10.00 O ATOM 286 CB PRO A 19 -1.011 9.365 -15.140 1.00 10.00 C ATOM 287 CG PRO A 19 -2.396 9.857 -15.389 1.00 10.00 C ATOM 288 CD PRO A 19 -3.238 8.650 -15.727 1.00 10.00 C ATOM 0 HA PRO A 19 -0.346 7.258 -14.868 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.502 9.980 -14.398 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.411 9.401 -16.049 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.788 10.367 -14.509 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.408 10.577 -16.207 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.184 8.660 -15.186 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.479 8.616 -16.790 1.00 10.00 H new ATOM 296 N VAL A 20 -1.132 6.692 -12.548 1.00 10.00 N ATOM 297 CA VAL A 20 -1.129 6.528 -11.096 1.00 10.00 C ATOM 298 C VAL A 20 -0.242 5.351 -10.706 1.00 10.00 C ATOM 299 O VAL A 20 -0.129 4.367 -11.445 1.00 10.00 O ATOM 300 CB VAL A 20 -2.538 6.330 -10.450 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.560 7.336 -10.962 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.043 4.909 -10.633 1.00 10.00 C ATOM 0 H VAL A 20 -1.036 5.821 -13.070 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.743 7.470 -10.707 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.413 6.512 -9.383 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.521 7.154 -10.482 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.224 8.347 -10.730 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.668 7.228 -12.041 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.025 4.810 -10.171 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.118 4.684 -11.697 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.349 4.213 -10.163 1.00 10.00 H new ATOM 312 N SER A 21 0.414 5.475 -9.566 1.00 10.00 N ATOM 313 CA SER A 21 1.268 4.422 -9.051 1.00 10.00 C ATOM 314 C SER A 21 0.706 3.958 -7.715 1.00 10.00 C ATOM 315 O SER A 21 -0.043 4.698 -7.078 1.00 10.00 O ATOM 316 CB SER A 21 2.705 4.932 -8.887 1.00 10.00 C ATOM 317 OG SER A 21 2.717 6.292 -8.474 1.00 10.00 O ATOM 0 H SER A 21 0.370 6.305 -8.974 1.00 10.00 H new ATOM 0 HA SER A 21 1.291 3.586 -9.750 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.231 4.321 -8.154 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.241 4.830 -9.830 1.00 10.00 H new ATOM 0 HG SER A 21 3.643 6.595 -8.374 1.00 10.00 H new ATOM 323 N PHE A 22 1.058 2.760 -7.275 1.00 10.00 N ATOM 324 CA PHE A 22 0.543 2.259 -6.018 1.00 10.00 C ATOM 325 C PHE A 22 1.645 2.231 -4.956 1.00 10.00 C ATOM 326 O PHE A 22 2.830 2.385 -5.253 1.00 10.00 O ATOM 327 CB PHE A 22 -0.111 0.880 -6.211 1.00 10.00 C ATOM 328 CG PHE A 22 -1.613 0.942 -6.401 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.173 1.139 -7.659 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.465 0.796 -5.319 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.547 1.187 -7.827 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.838 0.847 -5.482 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.378 1.042 -6.736 1.00 10.00 C ATOM 0 H PHE A 22 1.690 2.126 -7.765 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.232 2.937 -5.661 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.337 0.393 -7.077 1.00 10.00 H new ATOM 0 HB3 PHE A 22 0.112 0.257 -5.345 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.527 1.256 -8.517 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.052 0.640 -4.334 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -3.967 1.338 -8.811 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.487 0.734 -4.627 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.450 1.081 -6.863 1.00 10.00 H new ATOM 343 N HIS A 23 1.218 2.142 -3.710 1.00 10.00 N ATOM 344 CA HIS A 23 2.113 2.115 -2.548 1.00 10.00 C ATOM 345 C HIS A 23 1.405 1.433 -1.414 1.00 10.00 C ATOM 346 O HIS A 23 0.235 1.160 -1.519 1.00 10.00 O ATOM 347 CB HIS A 23 2.445 3.526 -2.045 1.00 10.00 C ATOM 348 CG HIS A 23 2.098 4.626 -2.977 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.871 5.471 -3.693 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.803 4.934 -3.286 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 2.023 6.263 -4.419 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.782 5.910 -4.148 1.00 10.00 N flip ATOM 0 H HIS A 23 0.230 2.085 -3.464 1.00 10.00 H new ATOM 0 HA HIS A 23 3.026 1.605 -2.855 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.922 3.691 -1.103 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.512 3.576 -1.830 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.890 5.511 -3.693 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.069 4.444 -2.878 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.321 7.046 -5.100 1.00 10.00 H new ATOM 361 N LYS A 24 2.089 1.191 -0.326 1.00 10.00 N ATOM 362 CA LYS A 24 1.448 0.600 0.830 1.00 10.00 C ATOM 363 C LYS A 24 1.316 1.688 1.904 1.00 10.00 C ATOM 364 O LYS A 24 1.903 2.761 1.751 1.00 10.00 O ATOM 365 CB LYS A 24 2.243 -0.596 1.355 1.00 10.00 C ATOM 366 CG LYS A 24 1.635 -1.932 0.954 1.00 10.00 C ATOM 367 CD LYS A 24 2.669 -3.043 0.942 1.00 10.00 C ATOM 368 CE LYS A 24 3.193 -3.352 2.336 1.00 10.00 C ATOM 369 NZ LYS A 24 4.561 -3.932 2.294 1.00 10.00 N ATOM 0 H LYS A 24 3.083 1.391 -0.212 1.00 10.00 H new ATOM 0 HA LYS A 24 0.463 0.223 0.555 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.265 -0.540 0.979 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.299 -0.540 2.442 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.834 -2.189 1.647 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.185 -1.844 -0.035 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.228 -3.943 0.513 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.500 -2.757 0.298 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.203 -2.439 2.931 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.518 -4.049 2.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.884 -4.129 3.263 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.546 -4.816 1.747 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.211 -3.257 1.843 1.00 10.00 H new ATOM 383 N PHE A 25 0.531 1.452 2.953 1.00 10.00 N ATOM 384 CA PHE A 25 0.371 2.450 4.024 1.00 10.00 C ATOM 385 C PHE A 25 1.717 2.786 4.667 1.00 10.00 C ATOM 386 O PHE A 25 2.660 1.993 4.601 1.00 10.00 O ATOM 387 CB PHE A 25 -0.541 1.927 5.135 1.00 10.00 C ATOM 388 CG PHE A 25 -1.956 2.460 5.123 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.834 2.116 4.122 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.409 3.289 6.135 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.135 2.594 4.115 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.706 3.766 6.141 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.569 3.422 5.127 1.00 10.00 C ATOM 0 H PHE A 25 -0.001 0.592 3.090 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.064 3.335 3.560 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.581 0.840 5.067 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.088 2.170 6.096 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.504 1.462 3.328 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.737 3.568 6.933 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.808 2.318 3.317 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.042 4.409 6.942 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.581 3.799 5.124 1.00 10.00 H new ATOM 403 N PRO A 26 1.827 3.968 5.301 1.00 10.00 N ATOM 404 CA PRO A 26 3.047 4.378 6.006 1.00 10.00 C ATOM 405 C PRO A 26 3.237 3.543 7.266 1.00 10.00 C ATOM 406 O PRO A 26 3.004 4.008 8.380 1.00 10.00 O ATOM 407 CB PRO A 26 2.761 5.834 6.382 1.00 10.00 C ATOM 408 CG PRO A 26 1.285 5.906 6.461 1.00 10.00 C ATOM 409 CD PRO A 26 0.788 5.013 5.367 1.00 10.00 C ATOM 0 HA PRO A 26 3.950 4.253 5.408 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.224 6.098 7.333 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.154 6.523 5.634 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.926 5.572 7.435 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.933 6.929 6.325 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.192 4.595 5.599 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.691 5.547 4.422 1.00 10.00 H new ATOM 417 N LEU A 27 3.657 2.305 7.083 1.00 10.00 N ATOM 418 CA LEU A 27 3.838 1.388 8.190 1.00 10.00 C ATOM 419 C LEU A 27 4.985 1.824 9.070 1.00 10.00 C ATOM 420 O LEU A 27 5.065 1.467 10.244 1.00 10.00 O ATOM 421 CB LEU A 27 4.064 -0.018 7.648 1.00 10.00 C ATOM 422 CG LEU A 27 2.784 -0.731 7.205 1.00 10.00 C ATOM 423 CD1 LEU A 27 3.093 -2.134 6.713 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.792 -0.764 8.353 1.00 10.00 C ATOM 0 H LEU A 27 3.881 1.910 6.170 1.00 10.00 H new ATOM 0 HA LEU A 27 2.939 1.389 8.806 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.748 0.036 6.801 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.554 -0.617 8.416 1.00 10.00 H new ATOM 0 HG LEU A 27 2.341 -0.180 6.376 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.169 -2.623 6.403 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.777 -2.080 5.866 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.555 -2.708 7.516 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.882 -1.272 8.033 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.229 -1.299 9.196 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.551 0.255 8.655 1.00 10.00 H new ATOM 436 N THR A 28 5.865 2.611 8.495 1.00 10.00 N ATOM 437 CA THR A 28 7.006 3.114 9.211 1.00 10.00 C ATOM 438 C THR A 28 6.711 4.500 9.795 1.00 10.00 C ATOM 439 O THR A 28 7.601 5.183 10.308 1.00 10.00 O ATOM 440 CB THR A 28 8.223 3.142 8.277 1.00 10.00 C ATOM 441 OG1 THR A 28 8.013 4.085 7.217 1.00 10.00 O ATOM 442 CG2 THR A 28 8.433 1.760 7.682 1.00 10.00 C ATOM 0 H THR A 28 5.808 2.917 7.524 1.00 10.00 H new ATOM 0 HA THR A 28 7.229 2.453 10.049 1.00 10.00 H new ATOM 0 HB THR A 28 9.102 3.439 8.849 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.797 4.095 6.628 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.297 1.777 7.018 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.605 1.041 8.483 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.547 1.469 7.117 1.00 10.00 H new ATOM 450 N ARG A 29 5.441 4.894 9.722 1.00 10.00 N ATOM 451 CA ARG A 29 4.971 6.167 10.244 1.00 10.00 C ATOM 452 C ARG A 29 3.555 5.974 10.782 1.00 10.00 C ATOM 453 O ARG A 29 2.625 6.618 10.315 1.00 10.00 O ATOM 454 CB ARG A 29 4.969 7.216 9.124 1.00 10.00 C ATOM 455 CG ARG A 29 5.978 8.336 9.299 1.00 10.00 C ATOM 456 CD ARG A 29 5.461 9.421 10.226 1.00 10.00 C ATOM 457 NE ARG A 29 6.353 9.655 11.361 1.00 10.00 N ATOM 458 CZ ARG A 29 7.494 10.355 11.305 1.00 10.00 C ATOM 459 NH1 ARG A 29 7.937 10.835 10.147 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.194 10.565 12.412 1.00 10.00 N ATOM 0 H ARG A 29 4.706 4.331 9.294 1.00 10.00 H new ATOM 0 HA ARG A 29 5.627 6.512 11.043 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.164 6.715 8.176 1.00 10.00 H new ATOM 0 HB3 ARG A 29 3.972 7.652 9.055 1.00 10.00 H new ATOM 0 HG2 ARG A 29 6.907 7.929 9.698 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.212 8.770 8.327 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.340 10.348 9.665 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.474 9.141 10.594 1.00 10.00 H new ATOM 0 HE ARG A 29 6.087 9.256 12.261 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.407 10.672 9.291 1.00 10.00 H new ATOM 0 HH12 ARG A 29 8.807 11.367 10.115 1.00 10.00 H new ATOM 0 HH21 ARG A 29 7.863 10.194 13.303 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.063 11.098 12.373 1.00 10.00 H new ATOM 474 N PRO A 30 3.385 5.085 11.780 1.00 10.00 N ATOM 475 CA PRO A 30 2.076 4.732 12.358 1.00 10.00 C ATOM 476 C PRO A 30 1.168 5.907 12.724 1.00 10.00 C ATOM 477 O PRO A 30 0.034 5.953 12.279 1.00 10.00 O ATOM 478 CB PRO A 30 2.421 3.955 13.618 1.00 10.00 C ATOM 479 CG PRO A 30 3.898 4.085 13.801 1.00 10.00 C ATOM 480 CD PRO A 30 4.465 4.345 12.445 1.00 10.00 C ATOM 0 HA PRO A 30 1.501 4.184 11.612 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.886 4.354 14.480 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.132 2.909 13.521 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.135 4.900 14.485 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.318 3.176 14.231 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.384 4.929 12.496 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.704 3.419 11.922 1.00 10.00 H new ATOM 488 N SER A 31 1.635 6.827 13.558 1.00 10.00 N ATOM 489 CA SER A 31 0.820 7.979 13.952 1.00 10.00 C ATOM 490 C SER A 31 0.245 8.649 12.714 1.00 10.00 C ATOM 491 O SER A 31 -0.964 8.859 12.601 1.00 10.00 O ATOM 492 CB SER A 31 1.682 8.955 14.744 1.00 10.00 C ATOM 493 OG SER A 31 3.053 8.602 14.632 1.00 10.00 O ATOM 0 H SER A 31 2.566 6.803 13.974 1.00 10.00 H new ATOM 0 HA SER A 31 -0.008 7.651 14.580 1.00 10.00 H new ATOM 0 HB2 SER A 31 1.529 9.969 14.375 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.382 8.949 15.792 1.00 10.00 H new ATOM 0 HG SER A 31 3.597 9.237 15.143 1.00 10.00 H new ATOM 499 N LEU A 32 1.121 8.914 11.766 1.00 10.00 N ATOM 500 CA LEU A 32 0.741 9.517 10.505 1.00 10.00 C ATOM 501 C LEU A 32 -0.152 8.539 9.733 1.00 10.00 C ATOM 502 O LEU A 32 -1.114 8.935 9.083 1.00 10.00 O ATOM 503 CB LEU A 32 2.031 9.888 9.743 1.00 10.00 C ATOM 504 CG LEU A 32 1.895 10.417 8.313 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.880 9.275 7.321 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.668 11.287 8.172 1.00 10.00 C ATOM 0 H LEU A 32 2.118 8.717 11.849 1.00 10.00 H new ATOM 0 HA LEU A 32 0.163 10.430 10.647 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.560 10.640 10.328 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.667 9.003 9.712 1.00 10.00 H new ATOM 0 HG LEU A 32 2.763 11.038 8.094 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.783 9.672 6.311 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.809 8.711 7.401 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.037 8.618 7.535 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.595 11.650 7.147 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.221 10.705 8.415 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.743 12.135 8.852 1.00 10.00 H new ATOM 518 N CYS A 33 0.119 7.253 9.895 1.00 10.00 N ATOM 519 CA CYS A 33 -0.647 6.208 9.225 1.00 10.00 C ATOM 520 C CYS A 33 -2.083 6.287 9.687 1.00 10.00 C ATOM 521 O CYS A 33 -3.032 6.132 8.921 1.00 10.00 O ATOM 522 CB CYS A 33 -0.067 4.847 9.620 1.00 10.00 C ATOM 523 SG CYS A 33 -0.733 3.424 8.736 1.00 10.00 S ATOM 0 H CYS A 33 0.870 6.904 10.490 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.598 6.335 8.144 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.012 4.874 9.466 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.233 4.698 10.687 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.232 3.813 7.601 1.00 10.00 H new ATOM 529 N LYS A 34 -2.198 6.618 10.948 1.00 10.00 N ATOM 530 CA LYS A 34 -3.453 6.702 11.631 1.00 10.00 C ATOM 531 C LYS A 34 -4.325 7.851 11.132 1.00 10.00 C ATOM 532 O LYS A 34 -5.551 7.727 11.114 1.00 10.00 O ATOM 533 CB LYS A 34 -3.141 6.813 13.118 1.00 10.00 C ATOM 534 CG LYS A 34 -4.197 7.507 13.954 1.00 10.00 C ATOM 535 CD LYS A 34 -3.541 8.499 14.904 1.00 10.00 C ATOM 536 CE LYS A 34 -4.301 8.603 16.217 1.00 10.00 C ATOM 537 NZ LYS A 34 -4.041 7.436 17.098 1.00 10.00 N ATOM 0 H LYS A 34 -1.397 6.841 11.539 1.00 10.00 H new ATOM 0 HA LYS A 34 -4.047 5.810 11.431 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.989 5.810 13.516 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.199 7.349 13.235 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.903 8.025 13.305 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.766 6.770 14.521 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.514 8.191 15.101 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.494 9.480 14.431 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -4.013 9.519 16.732 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -5.370 8.674 16.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.817 7.338 17.783 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -3.978 6.573 16.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.146 7.578 17.608 1.00 10.00 H new ATOM 551 N GLU A 35 -3.740 8.953 10.668 1.00 10.00 N ATOM 552 CA GLU A 35 -4.605 10.036 10.217 1.00 10.00 C ATOM 553 C GLU A 35 -5.231 9.660 8.902 1.00 10.00 C ATOM 554 O GLU A 35 -6.260 10.211 8.519 1.00 10.00 O ATOM 555 CB GLU A 35 -3.935 11.398 10.088 1.00 10.00 C ATOM 556 CG GLU A 35 -2.455 11.363 9.834 1.00 10.00 C ATOM 557 CD GLU A 35 -1.800 12.677 10.191 1.00 10.00 C ATOM 558 OE1 GLU A 35 -2.001 13.673 9.464 1.00 10.00 O ATOM 559 OE2 GLU A 35 -1.105 12.732 11.222 1.00 10.00 O ATOM 0 H GLU A 35 -2.736 9.115 10.596 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.351 10.156 11.002 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.414 11.945 9.276 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -4.117 11.962 11.003 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -2.004 10.560 10.417 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.270 11.137 8.784 1.00 10.00 H new ATOM 566 N TRP A 36 -4.633 8.695 8.209 1.00 10.00 N ATOM 567 CA TRP A 36 -5.193 8.259 6.955 1.00 10.00 C ATOM 568 C TRP A 36 -6.570 7.698 7.244 1.00 10.00 C ATOM 569 O TRP A 36 -7.502 7.895 6.471 1.00 10.00 O ATOM 570 CB TRP A 36 -4.284 7.238 6.263 1.00 10.00 C ATOM 571 CG TRP A 36 -2.975 7.818 5.806 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.278 8.831 6.402 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.202 7.423 4.663 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.136 9.102 5.697 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.059 8.247 4.630 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.363 6.457 3.660 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.089 8.138 3.640 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.394 6.352 2.676 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.271 7.189 2.673 1.00 10.00 C ATOM 0 H TRP A 36 -3.779 8.215 8.495 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.276 9.095 6.261 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.088 6.414 6.949 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.808 6.820 5.403 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.584 9.345 7.301 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.453 9.824 5.929 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.226 5.807 3.655 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.779 8.781 3.635 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.506 5.612 1.898 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.466 7.083 1.891 1.00 10.00 H new ATOM 590 N GLU A 37 -6.715 7.101 8.431 1.00 10.00 N ATOM 591 CA GLU A 37 -7.991 6.544 8.843 1.00 10.00 C ATOM 592 C GLU A 37 -9.006 7.679 8.950 1.00 10.00 C ATOM 593 O GLU A 37 -10.172 7.537 8.572 1.00 10.00 O ATOM 594 CB GLU A 37 -7.864 5.844 10.200 1.00 10.00 C ATOM 595 CG GLU A 37 -6.622 4.982 10.354 1.00 10.00 C ATOM 596 CD GLU A 37 -6.833 3.541 9.936 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.678 2.862 10.557 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.128 3.066 9.023 1.00 10.00 O ATOM 0 H GLU A 37 -5.965 6.995 9.114 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.316 5.809 8.106 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.865 6.600 10.985 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.744 5.221 10.356 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.815 5.411 9.759 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.298 5.007 11.395 1.00 10.00 H new ATOM 605 N ALA A 38 -8.515 8.831 9.409 1.00 10.00 N ATOM 606 CA ALA A 38 -9.331 10.018 9.594 1.00 10.00 C ATOM 607 C ALA A 38 -9.863 10.507 8.261 1.00 10.00 C ATOM 608 O ALA A 38 -10.931 11.123 8.189 1.00 10.00 O ATOM 609 CB ALA A 38 -8.537 11.111 10.292 1.00 10.00 C ATOM 0 H ALA A 38 -7.535 8.961 9.662 1.00 10.00 H new ATOM 0 HA ALA A 38 -10.179 9.759 10.227 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -9.166 11.992 10.421 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.207 10.754 11.268 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.668 11.371 9.688 1.00 10.00 H new ATOM 615 N ALA A 39 -9.125 10.210 7.200 1.00 10.00 N ATOM 616 CA ALA A 39 -9.530 10.611 5.868 1.00 10.00 C ATOM 617 C ALA A 39 -10.540 9.608 5.326 1.00 10.00 C ATOM 618 O ALA A 39 -11.398 9.944 4.502 1.00 10.00 O ATOM 619 CB ALA A 39 -8.321 10.735 4.955 1.00 10.00 C ATOM 0 H ALA A 39 -8.246 9.694 7.240 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.003 11.592 5.911 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.646 11.037 3.959 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.637 11.483 5.356 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.811 9.774 4.894 1.00 10.00 H new ATOM 625 N VAL A 40 -10.450 8.376 5.822 1.00 10.00 N ATOM 626 CA VAL A 40 -11.359 7.308 5.428 1.00 10.00 C ATOM 627 C VAL A 40 -12.569 7.332 6.360 1.00 10.00 C ATOM 628 O VAL A 40 -12.954 6.323 6.948 1.00 10.00 O ATOM 629 CB VAL A 40 -10.694 5.922 5.503 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.457 4.926 4.655 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.228 5.970 5.082 1.00 10.00 C ATOM 0 H VAL A 40 -9.747 8.093 6.505 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.653 7.477 4.392 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.723 5.599 6.544 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.975 3.950 4.718 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.482 4.849 5.018 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.464 5.261 3.618 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.797 4.971 5.150 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.156 6.327 4.055 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.682 6.646 5.740 1.00 10.00 H new ATOM 641 N ARG A 41 -13.138 8.513 6.495 1.00 10.00 N ATOM 642 CA ARG A 41 -14.294 8.769 7.366 1.00 10.00 C ATOM 643 C ARG A 41 -15.569 8.033 6.933 1.00 10.00 C ATOM 644 O ARG A 41 -16.661 8.336 7.419 1.00 10.00 O ATOM 645 CB ARG A 41 -14.565 10.283 7.439 1.00 10.00 C ATOM 646 CG ARG A 41 -15.239 10.879 6.202 1.00 10.00 C ATOM 647 CD ARG A 41 -14.251 11.116 5.067 1.00 10.00 C ATOM 648 NE ARG A 41 -14.504 12.380 4.377 1.00 10.00 N ATOM 649 CZ ARG A 41 -13.709 12.903 3.440 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.591 12.284 3.078 1.00 10.00 N ATOM 651 NH2 ARG A 41 -14.030 14.057 2.877 1.00 10.00 N ATOM 0 H ARG A 41 -12.813 9.343 5.999 1.00 10.00 H new ATOM 0 HA ARG A 41 -14.032 8.378 8.349 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.192 10.483 8.308 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.619 10.799 7.603 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -16.027 10.208 5.861 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.716 11.822 6.469 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.236 11.116 5.464 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.314 10.294 4.354 1.00 10.00 H new ATOM 0 HE ARG A 41 -15.346 12.898 4.629 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -12.332 11.400 3.517 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -11.991 12.692 2.361 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -14.881 14.543 3.159 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -13.426 14.461 2.161 1.00 10.00 H new ATOM 665 N ARG A 42 -15.444 7.066 6.040 1.00 10.00 N ATOM 666 CA ARG A 42 -16.601 6.328 5.565 1.00 10.00 C ATOM 667 C ARG A 42 -16.890 5.130 6.464 1.00 10.00 C ATOM 668 O ARG A 42 -15.977 4.547 7.053 1.00 10.00 O ATOM 669 CB ARG A 42 -16.390 5.867 4.122 1.00 10.00 C ATOM 670 CG ARG A 42 -17.680 5.527 3.383 1.00 10.00 C ATOM 671 CD ARG A 42 -18.676 6.677 3.389 1.00 10.00 C ATOM 672 NE ARG A 42 -19.990 6.262 2.903 1.00 10.00 N ATOM 673 CZ ARG A 42 -21.145 6.682 3.419 1.00 10.00 C ATOM 674 NH1 ARG A 42 -21.162 7.499 4.467 1.00 10.00 N ATOM 675 NH2 ARG A 42 -22.289 6.274 2.889 1.00 10.00 N ATOM 0 H ARG A 42 -14.556 6.775 5.631 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.462 6.996 5.596 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.866 6.650 3.574 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -15.742 4.990 4.123 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.445 5.260 2.353 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.138 4.651 3.843 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -18.771 7.070 4.401 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -18.298 7.488 2.766 1.00 10.00 H new ATOM 0 HE ARG A 42 -20.026 5.610 2.120 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -20.285 7.811 4.885 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -22.052 7.814 4.854 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -22.283 5.641 2.089 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -23.175 6.593 3.281 1.00 10.00 H new ATOM 689 N LYS A 43 -18.170 4.787 6.579 1.00 10.00 N ATOM 690 CA LYS A 43 -18.603 3.656 7.387 1.00 10.00 C ATOM 691 C LYS A 43 -17.938 2.373 6.916 1.00 10.00 C ATOM 692 O LYS A 43 -17.347 1.639 7.708 1.00 10.00 O ATOM 693 CB LYS A 43 -20.130 3.516 7.319 1.00 10.00 C ATOM 694 CG LYS A 43 -20.634 2.078 7.390 1.00 10.00 C ATOM 695 CD LYS A 43 -22.150 2.022 7.314 1.00 10.00 C ATOM 696 CE LYS A 43 -22.690 0.641 7.650 1.00 10.00 C ATOM 697 NZ LYS A 43 -24.168 0.652 7.820 1.00 10.00 N ATOM 0 H LYS A 43 -18.931 5.284 6.116 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.308 3.836 8.421 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.572 4.084 8.138 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.483 3.967 6.392 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.205 1.499 6.572 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.297 1.617 8.318 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.574 2.754 8.002 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.473 2.303 6.311 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.420 -0.057 6.858 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.221 0.280 8.566 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.498 -0.307 8.048 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.424 1.299 8.593 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.617 0.972 6.938 1.00 10.00 H new ATOM 711 N ASN A 44 -18.018 2.116 5.620 1.00 10.00 N ATOM 712 CA ASN A 44 -17.429 0.919 5.054 1.00 10.00 C ATOM 713 C ASN A 44 -15.949 1.144 4.764 1.00 10.00 C ATOM 714 O ASN A 44 -15.532 1.204 3.608 1.00 10.00 O ATOM 715 CB ASN A 44 -18.177 0.460 3.785 1.00 10.00 C ATOM 716 CG ASN A 44 -18.750 1.607 2.967 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.187 2.696 2.914 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.887 1.372 2.329 1.00 10.00 N ATOM 0 H ASN A 44 -18.485 2.721 4.944 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.523 0.120 5.789 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.495 -0.116 3.160 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.987 -0.210 4.073 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.321 2.108 1.772 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.328 0.455 2.395 1.00 10.00 H new ATOM 725 N PHE A 45 -15.188 1.342 5.841 1.00 10.00 N ATOM 726 CA PHE A 45 -13.740 1.531 5.769 1.00 10.00 C ATOM 727 C PHE A 45 -13.115 0.404 4.940 1.00 10.00 C ATOM 728 O PHE A 45 -13.341 -0.776 5.211 1.00 10.00 O ATOM 729 CB PHE A 45 -13.158 1.553 7.200 1.00 10.00 C ATOM 730 CG PHE A 45 -11.709 1.972 7.306 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.705 1.134 6.868 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.352 3.196 7.852 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.378 1.489 6.961 1.00 10.00 C ATOM 734 CE2 PHE A 45 -10.024 3.565 7.950 1.00 10.00 C ATOM 735 CZ PHE A 45 -9.035 2.710 7.502 1.00 10.00 C ATOM 0 H PHE A 45 -15.560 1.376 6.790 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.510 2.480 5.284 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.759 2.229 7.808 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.263 0.558 7.632 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.966 0.177 6.442 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.120 3.868 8.204 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.610 0.815 6.612 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.759 4.521 8.377 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.997 2.997 7.575 1.00 10.00 H new ATOM 745 N LYS A 46 -12.346 0.796 3.930 1.00 10.00 N ATOM 746 CA LYS A 46 -11.684 -0.139 3.017 1.00 10.00 C ATOM 747 C LYS A 46 -10.552 -0.899 3.722 1.00 10.00 C ATOM 748 O LYS A 46 -10.336 -0.701 4.905 1.00 10.00 O ATOM 749 CB LYS A 46 -11.172 0.647 1.806 1.00 10.00 C ATOM 750 CG LYS A 46 -11.843 0.228 0.508 1.00 10.00 C ATOM 751 CD LYS A 46 -12.464 1.406 -0.222 1.00 10.00 C ATOM 752 CE LYS A 46 -13.764 1.017 -0.914 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.615 -0.205 -1.752 1.00 10.00 N ATOM 0 H LYS A 46 -12.161 1.776 3.717 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.396 -0.893 2.682 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.341 1.711 1.971 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.095 0.506 1.715 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -11.110 -0.253 -0.139 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.614 -0.512 0.722 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.655 2.213 0.485 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.759 1.790 -0.960 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.536 0.848 -0.163 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.102 1.844 -1.538 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.413 -0.270 -2.416 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.724 -0.154 -2.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.604 -1.046 -1.140 1.00 10.00 H new ATOM 767 N PRO A 47 -9.818 -1.792 3.018 1.00 10.00 N ATOM 768 CA PRO A 47 -8.736 -2.570 3.630 1.00 10.00 C ATOM 769 C PRO A 47 -7.736 -1.729 4.422 1.00 10.00 C ATOM 770 O PRO A 47 -7.580 -0.525 4.204 1.00 10.00 O ATOM 771 CB PRO A 47 -8.075 -3.273 2.449 1.00 10.00 C ATOM 772 CG PRO A 47 -9.144 -3.359 1.415 1.00 10.00 C ATOM 773 CD PRO A 47 -9.991 -2.131 1.596 1.00 10.00 C ATOM 0 HA PRO A 47 -9.125 -3.260 4.379 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.215 -2.711 2.084 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.714 -4.263 2.729 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.716 -3.394 0.413 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.737 -4.265 1.541 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.662 -1.319 0.948 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -11.036 -2.327 1.356 1.00 10.00 H new ATOM 781 N THR A 48 -7.018 -2.412 5.299 1.00 10.00 N ATOM 782 CA THR A 48 -6.080 -1.782 6.205 1.00 10.00 C ATOM 783 C THR A 48 -4.762 -1.432 5.560 1.00 10.00 C ATOM 784 O THR A 48 -4.568 -1.616 4.364 1.00 10.00 O ATOM 785 CB THR A 48 -5.802 -2.723 7.378 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.952 -3.806 6.954 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.099 -3.291 7.884 1.00 10.00 C ATOM 0 H THR A 48 -7.072 -3.425 5.400 1.00 10.00 H new ATOM 0 HA THR A 48 -6.544 -0.851 6.531 1.00 10.00 H new ATOM 0 HB THR A 48 -5.306 -2.161 8.170 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.149 -4.604 7.487 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.901 -3.962 8.720 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.747 -2.480 8.215 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.591 -3.844 7.084 1.00 10.00 H new ATOM 795 N LYS A 49 -3.839 -1.000 6.410 1.00 10.00 N ATOM 796 CA LYS A 49 -2.508 -0.582 6.004 1.00 10.00 C ATOM 797 C LYS A 49 -1.727 -1.662 5.270 1.00 10.00 C ATOM 798 O LYS A 49 -0.630 -1.400 4.779 1.00 10.00 O ATOM 799 CB LYS A 49 -1.704 -0.105 7.216 1.00 10.00 C ATOM 800 CG LYS A 49 -2.029 -0.817 8.515 1.00 10.00 C ATOM 801 CD LYS A 49 -2.539 0.168 9.553 1.00 10.00 C ATOM 802 CE LYS A 49 -4.012 0.480 9.350 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.533 1.435 10.361 1.00 10.00 N ATOM 0 H LYS A 49 -3.999 -0.930 7.415 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.654 0.238 5.300 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.643 -0.233 7.003 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.875 0.963 7.351 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.780 -1.586 8.336 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.139 -1.322 8.891 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.388 -0.243 10.551 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.960 1.090 9.497 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.159 0.895 8.353 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.587 -0.445 9.398 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.369 1.027 10.825 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.798 1.622 11.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.797 2.326 9.894 1.00 10.00 H new ATOM 817 N TYR A 50 -2.253 -2.876 5.195 1.00 10.00 N ATOM 818 CA TYR A 50 -1.546 -3.902 4.474 1.00 10.00 C ATOM 819 C TYR A 50 -1.818 -3.751 2.989 1.00 10.00 C ATOM 820 O TYR A 50 -0.967 -4.070 2.165 1.00 10.00 O ATOM 821 CB TYR A 50 -1.967 -5.281 4.929 1.00 10.00 C ATOM 822 CG TYR A 50 -1.461 -5.679 6.288 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.145 -6.073 6.461 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.313 -5.719 7.380 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.311 -6.507 7.680 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.859 -6.138 8.616 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.543 -6.538 8.754 1.00 10.00 C ATOM 828 OH TYR A 50 -0.092 -7.016 9.954 1.00 10.00 O ATOM 0 H TYR A 50 -3.139 -3.161 5.613 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.480 -3.790 4.673 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.056 -5.330 4.934 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.618 -6.011 4.199 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.534 -6.038 5.622 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.344 -5.419 7.264 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.337 -6.823 7.794 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.526 -6.153 9.466 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.814 -6.972 10.616 1.00 10.00 H new ATOM 838 N SER A 51 -3.012 -3.265 2.647 1.00 10.00 N ATOM 839 CA SER A 51 -3.351 -3.078 1.247 1.00 10.00 C ATOM 840 C SER A 51 -2.572 -1.892 0.685 1.00 10.00 C ATOM 841 O SER A 51 -1.924 -1.152 1.429 1.00 10.00 O ATOM 842 CB SER A 51 -4.855 -2.911 1.040 1.00 10.00 C ATOM 843 OG SER A 51 -5.424 -2.043 1.989 1.00 10.00 O ATOM 0 H SER A 51 -3.742 -3.000 3.308 1.00 10.00 H new ATOM 0 HA SER A 51 -3.065 -3.977 0.701 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.042 -2.526 0.038 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.340 -3.885 1.103 1.00 10.00 H new ATOM 0 HG SER A 51 -4.736 -1.758 2.626 1.00 10.00 H new ATOM 849 N SER A 52 -2.643 -1.700 -0.615 1.00 10.00 N ATOM 850 CA SER A 52 -1.893 -0.649 -1.255 1.00 10.00 C ATOM 851 C SER A 52 -2.788 0.512 -1.722 1.00 10.00 C ATOM 852 O SER A 52 -3.950 0.320 -2.082 1.00 10.00 O ATOM 853 CB SER A 52 -1.104 -1.279 -2.400 1.00 10.00 C ATOM 854 OG SER A 52 -1.770 -2.450 -2.892 1.00 10.00 O ATOM 0 H SER A 52 -3.214 -2.261 -1.247 1.00 10.00 H new ATOM 0 HA SER A 52 -1.207 -0.195 -0.540 1.00 10.00 H new ATOM 0 HB2 SER A 52 -0.985 -0.556 -3.207 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.103 -1.541 -2.057 1.00 10.00 H new ATOM 0 HG SER A 52 -1.250 -2.838 -3.626 1.00 10.00 H new ATOM 860 N ILE A 53 -2.226 1.720 -1.685 1.00 10.00 N ATOM 861 CA ILE A 53 -2.924 2.946 -2.050 1.00 10.00 C ATOM 862 C ILE A 53 -2.282 3.529 -3.312 1.00 10.00 C ATOM 863 O ILE A 53 -1.173 3.148 -3.649 1.00 10.00 O ATOM 864 CB ILE A 53 -2.865 3.966 -0.869 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.552 3.397 0.379 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.497 5.296 -1.234 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.738 2.354 1.121 1.00 10.00 C ATOM 0 H ILE A 53 -1.260 1.873 -1.396 1.00 10.00 H new ATOM 0 HA ILE A 53 -3.973 2.730 -2.255 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.810 4.138 -0.655 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.777 4.217 1.061 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.504 2.956 0.085 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.434 5.975 -0.383 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.969 5.729 -2.084 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.543 5.141 -1.498 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.298 2.006 1.989 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.534 1.513 0.459 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.796 2.793 1.449 1.00 10.00 H new ATOM 879 N CYS A 54 -2.943 4.455 -4.000 1.00 10.00 N ATOM 880 CA CYS A 54 -2.391 5.003 -5.233 1.00 10.00 C ATOM 881 C CYS A 54 -2.085 6.515 -5.136 1.00 10.00 C ATOM 882 O CYS A 54 -2.628 7.227 -4.288 1.00 10.00 O ATOM 883 CB CYS A 54 -3.315 4.668 -6.404 1.00 10.00 C ATOM 884 SG CYS A 54 -4.891 5.518 -6.369 1.00 10.00 S ATOM 0 H CYS A 54 -3.849 4.837 -3.729 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.424 4.531 -5.409 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.804 4.913 -7.335 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.496 3.593 -6.413 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.808 4.714 -5.918 1.00 10.00 H new ATOM 889 N SER A 55 -1.193 6.953 -6.027 1.00 10.00 N ATOM 890 CA SER A 55 -0.649 8.324 -6.104 1.00 10.00 C ATOM 891 C SER A 55 -1.657 9.465 -5.953 1.00 10.00 C ATOM 892 O SER A 55 -1.502 10.306 -5.071 1.00 10.00 O ATOM 893 CB SER A 55 0.091 8.461 -7.437 1.00 10.00 C ATOM 894 OG SER A 55 -0.726 8.028 -8.511 1.00 10.00 O ATOM 0 H SER A 55 -0.810 6.342 -6.748 1.00 10.00 H new ATOM 0 HA SER A 55 0.004 8.436 -5.239 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.383 9.500 -7.591 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.008 7.873 -7.411 1.00 10.00 H new ATOM 0 HG SER A 55 -0.994 8.801 -9.051 1.00 10.00 H new ATOM 900 N GLU A 56 -2.640 9.498 -6.842 1.00 10.00 N ATOM 901 CA GLU A 56 -3.694 10.530 -6.895 1.00 10.00 C ATOM 902 C GLU A 56 -4.265 10.953 -5.537 1.00 10.00 C ATOM 903 O GLU A 56 -4.912 11.994 -5.439 1.00 10.00 O ATOM 904 CB GLU A 56 -4.837 10.005 -7.755 1.00 10.00 C ATOM 905 CG GLU A 56 -4.967 8.494 -7.675 1.00 10.00 C ATOM 906 CD GLU A 56 -6.393 8.001 -7.757 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.084 8.324 -8.731 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.819 7.247 -6.843 1.00 10.00 O ATOM 0 H GLU A 56 -2.739 8.792 -7.572 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.220 11.420 -7.309 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.772 10.466 -7.435 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.675 10.300 -8.792 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.390 8.045 -8.484 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.526 8.149 -6.740 1.00 10.00 H new ATOM 915 N HIS A 57 -4.056 10.157 -4.507 1.00 10.00 N ATOM 916 CA HIS A 57 -4.597 10.472 -3.189 1.00 10.00 C ATOM 917 C HIS A 57 -3.718 11.420 -2.373 1.00 10.00 C ATOM 918 O HIS A 57 -4.200 12.026 -1.412 1.00 10.00 O ATOM 919 CB HIS A 57 -4.859 9.185 -2.417 1.00 10.00 C ATOM 920 CG HIS A 57 -5.893 8.332 -3.076 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.185 8.745 -3.316 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.795 7.080 -3.586 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.820 7.754 -3.951 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.016 6.718 -4.144 1.00 10.00 N ATOM 0 H HIS A 57 -3.519 9.291 -4.551 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.533 11.005 -3.355 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.930 8.622 -2.327 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.183 9.430 -1.406 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.910 6.462 -3.563 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.853 7.793 -4.265 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.245 5.838 -4.606 1.00 10.00 H new ATOM 932 N PHE A 58 -2.452 11.572 -2.739 1.00 10.00 N ATOM 933 CA PHE A 58 -1.568 12.470 -2.001 1.00 10.00 C ATOM 934 C PHE A 58 -0.807 13.357 -2.954 1.00 10.00 C ATOM 935 O PHE A 58 -0.803 13.140 -4.165 1.00 10.00 O ATOM 936 CB PHE A 58 -0.552 11.719 -1.123 1.00 10.00 C ATOM 937 CG PHE A 58 -0.600 10.241 -1.259 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.043 9.639 -2.308 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.275 9.457 -0.340 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.023 8.284 -2.455 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.303 8.087 -0.479 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.651 7.497 -1.541 1.00 10.00 C ATOM 0 H PHE A 58 -2.018 11.095 -3.529 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.211 13.062 -1.350 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.451 12.063 -1.374 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.727 11.982 -0.080 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.573 10.246 -3.028 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.783 9.922 0.492 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.535 7.825 -3.288 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.832 7.479 0.239 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.667 6.423 -1.658 1.00 10.00 H new ATOM 952 N THR A 59 -0.161 14.350 -2.390 1.00 10.00 N ATOM 953 CA THR A 59 0.632 15.270 -3.156 1.00 10.00 C ATOM 954 C THR A 59 1.948 14.621 -3.515 1.00 10.00 C ATOM 955 O THR A 59 2.477 13.824 -2.739 1.00 10.00 O ATOM 956 CB THR A 59 0.880 16.552 -2.353 1.00 10.00 C ATOM 957 OG1 THR A 59 0.945 16.253 -0.951 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.236 17.541 -2.605 1.00 10.00 C ATOM 0 H THR A 59 -0.173 14.539 -1.388 1.00 10.00 H new ATOM 0 HA THR A 59 0.097 15.531 -4.069 1.00 10.00 H new ATOM 0 HB THR A 59 1.828 16.986 -2.671 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.105 17.078 -0.448 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.053 18.450 -2.031 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.274 17.784 -3.667 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.186 17.103 -2.299 1.00 10.00 H new ATOM 966 N PRO A 60 2.464 14.916 -4.711 1.00 10.00 N ATOM 967 CA PRO A 60 3.745 14.391 -5.193 1.00 10.00 C ATOM 968 C PRO A 60 4.826 14.501 -4.130 1.00 10.00 C ATOM 969 O PRO A 60 5.679 13.628 -3.983 1.00 10.00 O ATOM 970 CB PRO A 60 4.067 15.307 -6.390 1.00 10.00 C ATOM 971 CG PRO A 60 3.033 16.390 -6.357 1.00 10.00 C ATOM 972 CD PRO A 60 1.838 15.783 -5.708 1.00 10.00 C ATOM 0 HA PRO A 60 3.697 13.333 -5.453 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.072 15.722 -6.307 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.026 14.754 -7.329 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.388 17.254 -5.795 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.798 16.739 -7.363 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.192 16.533 -5.253 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.227 15.222 -6.415 1.00 10.00 H new ATOM 980 N ASP A 61 4.748 15.578 -3.374 1.00 10.00 N ATOM 981 CA ASP A 61 5.691 15.846 -2.293 1.00 10.00 C ATOM 982 C ASP A 61 5.682 14.716 -1.275 1.00 10.00 C ATOM 983 O ASP A 61 6.730 14.304 -0.778 1.00 10.00 O ATOM 984 CB ASP A 61 5.320 17.138 -1.567 1.00 10.00 C ATOM 985 CG ASP A 61 4.946 18.269 -2.506 1.00 10.00 C ATOM 986 OD1 ASP A 61 3.977 18.120 -3.279 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.612 19.322 -2.462 1.00 10.00 O ATOM 0 H ASP A 61 4.031 16.295 -3.487 1.00 10.00 H new ATOM 0 HA ASP A 61 6.681 15.936 -2.740 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.484 16.942 -0.895 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.160 17.452 -0.948 1.00 10.00 H new ATOM 992 N SER A 62 4.487 14.242 -0.955 1.00 10.00 N ATOM 993 CA SER A 62 4.313 13.182 0.027 1.00 10.00 C ATOM 994 C SER A 62 4.244 11.806 -0.613 1.00 10.00 C ATOM 995 O SER A 62 4.081 10.821 0.088 1.00 10.00 O ATOM 996 CB SER A 62 3.028 13.407 0.811 1.00 10.00 C ATOM 997 OG SER A 62 3.191 13.016 2.163 1.00 10.00 O ATOM 0 H SER A 62 3.616 14.579 -1.366 1.00 10.00 H new ATOM 0 HA SER A 62 5.183 13.215 0.683 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.746 14.459 0.763 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.216 12.838 0.358 1.00 10.00 H new ATOM 0 HG SER A 62 2.347 12.650 2.502 1.00 10.00 H new ATOM 1003 N PHE A 63 4.347 11.763 -1.931 1.00 10.00 N ATOM 1004 CA PHE A 63 4.238 10.509 -2.699 1.00 10.00 C ATOM 1005 C PHE A 63 4.805 9.259 -2.005 1.00 10.00 C ATOM 1006 O PHE A 63 4.080 8.272 -1.850 1.00 10.00 O ATOM 1007 CB PHE A 63 4.884 10.621 -4.076 1.00 10.00 C ATOM 1008 CG PHE A 63 3.941 10.961 -5.205 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.572 10.742 -5.100 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.434 11.491 -6.386 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.725 11.049 -6.140 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.588 11.798 -7.434 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.230 11.578 -7.310 1.00 10.00 C ATOM 0 H PHE A 63 4.508 12.588 -2.508 1.00 10.00 H new ATOM 0 HA PHE A 63 3.160 10.371 -2.785 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.663 11.383 -4.033 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.375 9.676 -4.307 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.168 10.325 -4.189 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.495 11.667 -6.489 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.664 10.876 -6.040 1.00 10.00 H new ATOM 0 HE2 PHE A 63 3.988 12.209 -8.349 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.565 11.819 -8.126 1.00 10.00 H new ATOM 1023 N LYS A 64 6.080 9.281 -1.593 1.00 10.00 N ATOM 1024 CA LYS A 64 6.689 8.093 -0.969 1.00 10.00 C ATOM 1025 C LYS A 64 8.114 8.366 -0.480 1.00 10.00 C ATOM 1026 O LYS A 64 8.398 9.436 0.045 1.00 10.00 O ATOM 1027 CB LYS A 64 6.699 6.916 -1.960 1.00 10.00 C ATOM 1028 CG LYS A 64 7.443 7.201 -3.260 1.00 10.00 C ATOM 1029 CD LYS A 64 7.598 5.941 -4.101 1.00 10.00 C ATOM 1030 CE LYS A 64 6.513 5.841 -5.158 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.161 4.424 -5.460 1.00 10.00 N ATOM 0 H LYS A 64 6.700 10.087 -1.676 1.00 10.00 H new ATOM 0 HA LYS A 64 6.081 7.838 -0.101 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.154 6.052 -1.476 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.670 6.645 -2.195 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.904 7.957 -3.831 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.427 7.613 -3.035 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.576 5.941 -4.581 1.00 10.00 H new ATOM 0 HD3 LYS A 64 7.560 5.064 -3.455 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.624 6.371 -4.817 1.00 10.00 H new ATOM 0 HE3 LYS A 64 6.848 6.334 -6.070 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 5.417 4.398 -6.186 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.003 3.924 -5.810 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 5.817 3.960 -4.595 1.00 10.00 H new ATOM 1045 N ARG A 65 9.009 7.383 -0.667 1.00 10.00 N ATOM 1046 CA ARG A 65 10.411 7.495 -0.250 1.00 10.00 C ATOM 1047 C ARG A 65 11.134 8.628 -0.974 1.00 10.00 C ATOM 1048 O ARG A 65 12.223 9.031 -0.576 1.00 10.00 O ATOM 1049 CB ARG A 65 11.157 6.166 -0.459 1.00 10.00 C ATOM 1050 CG ARG A 65 10.918 5.498 -1.810 1.00 10.00 C ATOM 1051 CD ARG A 65 11.085 3.981 -1.722 1.00 10.00 C ATOM 1052 NE ARG A 65 12.437 3.530 -2.075 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.028 2.444 -1.558 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.409 1.718 -0.631 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.238 2.084 -1.977 1.00 10.00 N ATOM 0 H ARG A 65 8.780 6.493 -1.110 1.00 10.00 H new ATOM 0 HA ARG A 65 10.408 7.731 0.814 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.226 6.345 -0.343 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.862 5.473 0.329 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.914 5.735 -2.162 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.616 5.900 -2.544 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.852 3.654 -0.709 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.364 3.503 -2.385 1.00 10.00 H new ATOM 0 HE ARG A 65 12.960 4.079 -2.758 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.479 1.987 -0.310 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.864 0.893 -0.242 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.715 2.634 -2.691 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.689 1.258 -1.584 1.00 10.00 H new ATOM 1069 N GLU A 66 10.516 9.139 -2.026 1.00 10.00 N ATOM 1070 CA GLU A 66 11.080 10.236 -2.798 1.00 10.00 C ATOM 1071 C GLU A 66 10.711 11.572 -2.154 1.00 10.00 C ATOM 1072 O GLU A 66 10.965 12.638 -2.713 1.00 10.00 O ATOM 1073 CB GLU A 66 10.619 10.168 -4.264 1.00 10.00 C ATOM 1074 CG GLU A 66 10.864 8.809 -4.894 1.00 10.00 C ATOM 1075 CD GLU A 66 10.047 8.590 -6.146 1.00 10.00 C ATOM 1076 OE1 GLU A 66 8.802 8.629 -6.064 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.647 8.375 -7.218 1.00 10.00 O ATOM 0 H GLU A 66 9.614 8.808 -2.368 1.00 10.00 H new ATOM 0 HA GLU A 66 12.166 10.147 -2.797 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.556 10.402 -4.317 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.142 10.931 -4.841 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.923 8.710 -5.134 1.00 10.00 H new ATOM 0 HG3 GLU A 66 10.627 8.030 -4.170 1.00 10.00 H new ATOM 1084 N SER A 67 10.090 11.492 -0.973 1.00 10.00 N ATOM 1085 CA SER A 67 9.666 12.666 -0.226 1.00 10.00 C ATOM 1086 C SER A 67 10.880 13.442 0.311 1.00 10.00 C ATOM 1087 O SER A 67 11.537 14.170 -0.434 1.00 10.00 O ATOM 1088 CB SER A 67 8.729 12.217 0.909 1.00 10.00 C ATOM 1089 OG SER A 67 8.576 13.195 1.919 1.00 10.00 O ATOM 0 H SER A 67 9.870 10.608 -0.513 1.00 10.00 H new ATOM 0 HA SER A 67 9.125 13.347 -0.883 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.751 11.977 0.492 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.119 11.301 1.354 1.00 10.00 H new ATOM 0 HG SER A 67 8.681 12.776 2.799 1.00 10.00 H new ATOM 1095 N ASN A 68 11.170 13.303 1.597 1.00 10.00 N ATOM 1096 CA ASN A 68 12.300 13.997 2.197 1.00 10.00 C ATOM 1097 C ASN A 68 13.498 13.072 2.364 1.00 10.00 C ATOM 1098 O ASN A 68 14.496 13.207 1.657 1.00 10.00 O ATOM 1099 CB ASN A 68 11.915 14.623 3.541 1.00 10.00 C ATOM 1100 CG ASN A 68 11.573 16.095 3.409 1.00 10.00 C ATOM 1101 OD1 ASN A 68 10.407 16.465 3.265 1.00 10.00 O ATOM 1102 ND2 ASN A 68 12.589 16.944 3.433 1.00 10.00 N ATOM 0 H ASN A 68 10.640 12.718 2.243 1.00 10.00 H new ATOM 0 HA ASN A 68 12.586 14.798 1.515 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.061 14.089 3.958 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.739 14.505 4.245 1.00 10.00 H new ATOM 0 HD21 ASN A 68 12.420 17.945 3.330 1.00 10.00 H new ATOM 0 HD22 ASN A 68 13.541 16.597 3.554 1.00 10.00 H new ATOM 1109 N ASN A 69 13.404 12.130 3.289 1.00 10.00 N ATOM 1110 CA ASN A 69 14.505 11.207 3.530 1.00 10.00 C ATOM 1111 C ASN A 69 14.237 9.849 2.900 1.00 10.00 C ATOM 1112 O ASN A 69 14.910 9.457 1.947 1.00 10.00 O ATOM 1113 CB ASN A 69 14.759 11.037 5.029 1.00 10.00 C ATOM 1114 CG ASN A 69 15.729 9.907 5.334 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.793 9.790 4.722 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.360 9.059 6.274 1.00 10.00 N ATOM 0 H ASN A 69 12.586 11.984 3.881 1.00 10.00 H new ATOM 0 HA ASN A 69 15.393 11.636 3.066 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.153 11.969 5.435 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.813 10.845 5.534 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.963 8.273 6.517 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.472 9.189 6.758 1.00 10.00 H new ATOM 1123 N LYS A 70 13.252 9.130 3.428 1.00 10.00 N ATOM 1124 CA LYS A 70 12.941 7.809 2.904 1.00 10.00 C ATOM 1125 C LYS A 70 11.443 7.505 2.941 1.00 10.00 C ATOM 1126 O LYS A 70 11.027 6.412 2.569 1.00 10.00 O ATOM 1127 CB LYS A 70 13.728 6.739 3.671 1.00 10.00 C ATOM 1128 CG LYS A 70 14.219 5.595 2.792 1.00 10.00 C ATOM 1129 CD LYS A 70 15.285 6.058 1.805 1.00 10.00 C ATOM 1130 CE LYS A 70 16.634 6.258 2.480 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.621 6.921 1.582 1.00 10.00 N ATOM 0 H LYS A 70 12.665 9.434 4.205 1.00 10.00 H new ATOM 0 HA LYS A 70 13.241 7.795 1.856 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.585 7.208 4.155 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.097 6.333 4.462 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.625 4.802 3.420 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.378 5.169 2.245 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.384 5.323 1.006 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.969 6.992 1.341 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.502 6.860 3.379 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.026 5.292 2.797 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.524 7.036 2.084 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.768 6.335 0.735 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.261 7.855 1.299 1.00 10.00 H new ATOM 1145 N LEU A 71 10.633 8.450 3.400 1.00 10.00 N ATOM 1146 CA LEU A 71 9.191 8.237 3.442 1.00 10.00 C ATOM 1147 C LEU A 71 8.439 9.559 3.352 1.00 10.00 C ATOM 1148 O LEU A 71 9.054 10.628 3.334 1.00 10.00 O ATOM 1149 CB LEU A 71 8.788 7.471 4.707 1.00 10.00 C ATOM 1150 CG LEU A 71 7.983 6.180 4.478 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.705 6.206 5.296 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.653 5.973 3.004 1.00 10.00 C ATOM 0 H LEU A 71 10.943 9.359 3.744 1.00 10.00 H new ATOM 0 HA LEU A 71 8.918 7.634 2.576 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.693 7.220 5.261 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.201 8.136 5.340 1.00 10.00 H new ATOM 0 HG LEU A 71 8.604 5.345 4.801 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.145 5.287 5.125 1.00 10.00 H new ATOM 0 HD12 LEU A 71 6.952 6.289 6.354 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.099 7.061 4.997 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.084 5.051 2.885 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.061 6.814 2.642 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.577 5.906 2.430 1.00 10.00 H new ATOM 1164 N LEU A 72 7.106 9.471 3.305 1.00 10.00 N ATOM 1165 CA LEU A 72 6.235 10.645 3.191 1.00 10.00 C ATOM 1166 C LEU A 72 6.418 11.602 4.355 1.00 10.00 C ATOM 1167 O LEU A 72 7.071 11.283 5.348 1.00 10.00 O ATOM 1168 CB LEU A 72 4.752 10.251 3.148 1.00 10.00 C ATOM 1169 CG LEU A 72 4.448 8.779 2.858 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.118 8.049 4.143 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.292 8.643 1.877 1.00 10.00 C ATOM 0 H LEU A 72 6.601 8.586 3.345 1.00 10.00 H new ATOM 0 HA LEU A 72 6.522 11.132 2.259 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.301 10.511 4.106 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.259 10.858 2.389 1.00 10.00 H new ATOM 0 HG LEU A 72 5.336 8.334 2.409 1.00 10.00 H new ATOM 0 HD11 LEU A 72 3.904 7.003 3.923 1.00 10.00 H new ATOM 0 HD12 LEU A 72 4.967 8.110 4.824 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.246 8.508 4.608 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.097 7.587 1.689 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.400 9.107 2.299 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.550 9.137 0.940 1.00 10.00 H new ATOM 1183 N LYS A 73 5.806 12.770 4.235 1.00 10.00 N ATOM 1184 CA LYS A 73 5.885 13.771 5.277 1.00 10.00 C ATOM 1185 C LYS A 73 4.857 13.467 6.351 1.00 10.00 C ATOM 1186 O LYS A 73 3.671 13.333 6.072 1.00 10.00 O ATOM 1187 CB LYS A 73 5.699 15.206 4.746 1.00 10.00 C ATOM 1188 CG LYS A 73 5.054 15.321 3.372 1.00 10.00 C ATOM 1189 CD LYS A 73 6.024 15.018 2.235 1.00 10.00 C ATOM 1190 CE LYS A 73 7.315 15.805 2.343 1.00 10.00 C ATOM 1191 NZ LYS A 73 7.773 16.304 1.022 1.00 10.00 N ATOM 0 H LYS A 73 5.250 13.044 3.425 1.00 10.00 H new ATOM 0 HA LYS A 73 6.890 13.725 5.697 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.092 15.763 5.460 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.675 15.691 4.711 1.00 10.00 H new ATOM 0 HG2 LYS A 73 4.209 14.635 3.314 1.00 10.00 H new ATOM 0 HG3 LYS A 73 4.657 16.328 3.246 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.252 13.952 2.232 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.544 15.244 1.283 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.171 16.648 3.019 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.089 15.174 2.781 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 8.807 16.417 1.033 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 7.507 15.623 0.282 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.327 17.222 0.824 1.00 10.00 H new ATOM 1205 N GLU A 74 5.349 13.303 7.560 1.00 10.00 N ATOM 1206 CA GLU A 74 4.526 13.009 8.734 1.00 10.00 C ATOM 1207 C GLU A 74 3.326 13.957 8.874 1.00 10.00 C ATOM 1208 O GLU A 74 2.345 13.639 9.545 1.00 10.00 O ATOM 1209 CB GLU A 74 5.381 13.090 10.001 1.00 10.00 C ATOM 1210 CG GLU A 74 5.656 14.510 10.482 1.00 10.00 C ATOM 1211 CD GLU A 74 6.534 15.308 9.534 1.00 10.00 C ATOM 1212 OE1 GLU A 74 7.750 15.035 9.469 1.00 10.00 O ATOM 1213 OE2 GLU A 74 6.011 16.207 8.846 1.00 10.00 O ATOM 0 H GLU A 74 6.345 13.369 7.768 1.00 10.00 H new ATOM 0 HA GLU A 74 4.133 12.001 8.599 1.00 10.00 H new ATOM 0 HB2 GLU A 74 4.882 12.539 10.798 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.332 12.591 9.816 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.708 15.031 10.613 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.135 14.468 11.460 1.00 10.00 H new ATOM 1220 N ASN A 75 3.427 15.129 8.271 1.00 10.00 N ATOM 1221 CA ASN A 75 2.357 16.119 8.337 1.00 10.00 C ATOM 1222 C ASN A 75 1.448 16.073 7.117 1.00 10.00 C ATOM 1223 O ASN A 75 0.591 16.942 6.938 1.00 10.00 O ATOM 1224 CB ASN A 75 2.937 17.521 8.485 1.00 10.00 C ATOM 1225 CG ASN A 75 2.908 18.003 9.923 1.00 10.00 C ATOM 1226 OD1 ASN A 75 3.072 17.078 10.857 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 2.740 19.192 10.197 1.00 10.00 N flip ATOM 0 H ASN A 75 4.239 15.422 7.728 1.00 10.00 H new ATOM 0 HA ASN A 75 1.755 15.873 9.211 1.00 10.00 H new ATOM 0 HB2 ASN A 75 3.965 17.528 8.122 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.374 18.214 7.860 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.617 19.875 9.450 1.00 10.00 H new ATOM 0 HD22 ASN A 75 2.724 19.493 11.171 1.00 10.00 H new ATOM 1234 N ALA A 76 1.626 15.065 6.287 1.00 10.00 N ATOM 1235 CA ALA A 76 0.816 14.929 5.080 1.00 10.00 C ATOM 1236 C ALA A 76 0.021 13.628 5.052 1.00 10.00 C ATOM 1237 O ALA A 76 0.568 12.539 5.217 1.00 10.00 O ATOM 1238 CB ALA A 76 1.690 15.040 3.837 1.00 10.00 C ATOM 0 H ALA A 76 2.319 14.328 6.420 1.00 10.00 H new ATOM 0 HA ALA A 76 0.094 15.746 5.089 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.070 14.936 2.946 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.183 16.012 3.825 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.442 14.251 3.850 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.282 13.768 4.829 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.192 12.634 4.751 1.00 10.00 C ATOM 1246 C VAL A 77 -3.117 12.807 3.536 1.00 10.00 C ATOM 1247 O VAL A 77 -3.570 13.917 3.251 1.00 10.00 O ATOM 1248 CB VAL A 77 -3.009 12.467 6.065 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.428 13.806 6.646 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.227 11.576 5.868 1.00 10.00 C ATOM 0 H VAL A 77 -1.736 14.672 4.697 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.608 11.722 4.626 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.344 11.980 6.778 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -3.996 13.643 7.562 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.541 14.399 6.869 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -4.048 14.338 5.924 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.768 11.486 6.810 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.881 12.015 5.114 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.906 10.588 5.539 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.355 11.714 2.781 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.195 11.706 1.573 1.00 10.00 C ATOM 1262 C PRO A 78 -5.569 12.344 1.775 1.00 10.00 C ATOM 1263 O PRO A 78 -6.468 11.750 2.365 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.347 10.211 1.242 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.838 9.484 2.431 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.817 10.383 3.051 1.00 10.00 C ATOM 0 HA PRO A 78 -3.736 12.296 0.780 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.388 9.958 1.044 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.780 9.948 0.349 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.644 9.266 3.131 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.397 8.529 2.146 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.711 10.198 4.120 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.832 10.246 2.604 1.00 10.00 H new ATOM 1274 N THR A 79 -5.719 13.560 1.271 1.00 10.00 N ATOM 1275 CA THR A 79 -6.975 14.286 1.375 1.00 10.00 C ATOM 1276 C THR A 79 -7.684 14.302 0.024 1.00 10.00 C ATOM 1277 O THR A 79 -8.873 14.603 -0.071 1.00 10.00 O ATOM 1278 CB THR A 79 -6.751 15.729 1.878 1.00 10.00 C ATOM 1279 OG1 THR A 79 -7.968 16.261 2.425 1.00 10.00 O ATOM 1280 CG2 THR A 79 -6.250 16.638 0.763 1.00 10.00 C ATOM 0 H THR A 79 -4.981 14.067 0.783 1.00 10.00 H new ATOM 0 HA THR A 79 -7.602 13.772 2.103 1.00 10.00 H new ATOM 0 HB THR A 79 -5.988 15.691 2.656 1.00 10.00 H new ATOM 0 HG1 THR A 79 -7.812 17.175 2.742 1.00 10.00 H new ATOM 0 HG21 THR A 79 -6.103 17.645 1.153 1.00 10.00 H new ATOM 0 HG22 THR A 79 -5.304 16.256 0.380 1.00 10.00 H new ATOM 0 HG23 THR A 79 -6.984 16.664 -0.043 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.933 13.953 -1.018 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.444 13.932 -2.387 1.00 10.00 C ATOM 1290 C ILE A 80 -8.367 12.726 -2.625 1.00 10.00 C ATOM 1291 O ILE A 80 -8.791 12.480 -3.751 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.297 13.893 -3.430 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -5.043 14.635 -2.917 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.766 14.474 -4.760 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.913 16.075 -3.383 1.00 10.00 C ATOM 0 H ILE A 80 -5.954 13.677 -0.938 1.00 10.00 H new ATOM 0 HA ILE A 80 -8.011 14.854 -2.514 1.00 10.00 H new ATOM 0 HB ILE A 80 -6.020 12.850 -3.586 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -5.052 14.621 -1.827 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.158 14.085 -3.236 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.949 14.439 -5.481 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.606 13.891 -5.136 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -7.078 15.508 -4.615 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -4.002 16.510 -2.971 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.868 16.102 -4.472 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.775 16.647 -3.041 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.656 11.970 -1.558 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.516 10.780 -1.636 1.00 10.00 C ATOM 1309 C PHE A 81 -10.767 11.017 -2.476 1.00 10.00 C ATOM 1310 O PHE A 81 -11.002 10.295 -3.440 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.927 10.302 -0.235 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.902 9.448 0.474 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.829 8.888 -0.205 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.028 9.196 1.828 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.907 8.099 0.454 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.109 8.407 2.491 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.047 7.858 1.803 1.00 10.00 C ATOM 0 H PHE A 81 -8.303 12.164 -0.621 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.922 10.008 -2.125 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -10.140 11.175 0.382 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.855 9.736 -0.318 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.714 9.072 -1.263 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.857 9.622 2.374 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -6.077 7.671 -0.088 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.222 8.220 3.549 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.327 7.241 2.320 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.561 12.017 -2.105 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.792 12.338 -2.827 1.00 10.00 C ATOM 1329 C LEU A 82 -13.350 13.670 -2.336 1.00 10.00 C ATOM 1330 O LEU A 82 -12.866 14.220 -1.347 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.841 11.237 -2.604 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.316 10.458 -3.846 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.818 10.617 -4.027 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.585 10.886 -5.114 1.00 10.00 C ATOM 0 H LEU A 82 -11.374 12.622 -1.306 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.563 12.407 -3.890 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.433 10.521 -1.891 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.714 11.691 -2.135 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.080 9.408 -3.675 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.139 10.061 -4.908 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.333 10.232 -3.147 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -16.059 11.672 -4.156 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.956 10.308 -5.960 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.760 11.947 -5.294 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.516 10.710 -4.995 1.00 10.00 H new