USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=25 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 33 CYS SG : rot 28:sc= -2.63! USER MOD Set 1.2: A 49 LYS NZ :NH3+ -122:sc= 0.876 (180deg=-0.629!) USER MOD Set 2.1: A 5 CYS SG : rot 111:sc= 2.74 USER MOD Set 2.2: A 10 CYS SG : rot 170:sc= 0.103! USER MOD Set 2.3: A 12 ASN : amide:sc= 0.627 K(o=-3.5,f=-5.7) USER MOD Set 2.4: A 54 CYS SG : rot -100:sc= -5.47! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -1.46 K(o=-3.5,f=-16!) 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+ -136:sc= 1.26 (180deg=0.665) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.337 (180deg=-0.786) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -5.43! C(o=-9.5!,f=-5.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 31 SER OG : rot 180:sc=0.000733 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 1.01 K(o=1,f=-7!) USER MOD Single : A 46 LYS NZ :NH3+ -154:sc= -0.0246 (180deg=-0.464) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0272 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -54:sc= -2.58! USER MOD Single : A 52 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 55 SER OG : rot 106:sc= -1.26 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0753 USER MOD Single : A 62 SER OG : rot -147:sc= -2.16 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -137:sc= -1.51 USER MOD Single : A 68 ASN : amide:sc=-0.000668 X(o=-0.00067,f=-0.25) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.38) USER MOD Single : A 75 ASN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.641 1.531 -4.040 1.00 10.00 N ATOM 65 CA CYS A 5 -7.811 2.153 -3.024 1.00 10.00 C ATOM 66 C CYS A 5 -8.586 2.303 -1.724 1.00 10.00 C ATOM 67 O CYS A 5 -9.789 2.055 -1.687 1.00 10.00 O ATOM 68 CB CYS A 5 -7.334 3.517 -3.514 1.00 10.00 C ATOM 69 SG CYS A 5 -6.933 3.548 -5.271 1.00 10.00 S ATOM 0 HA CYS A 5 -6.945 1.518 -2.837 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -8.108 4.258 -3.313 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.454 3.812 -2.943 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.804 4.278 -5.902 1.00 10.00 H new ATOM 74 N SER A 6 -7.891 2.710 -0.667 1.00 10.00 N ATOM 75 CA SER A 6 -8.498 2.885 0.649 1.00 10.00 C ATOM 76 C SER A 6 -9.402 4.121 0.711 1.00 10.00 C ATOM 77 O SER A 6 -9.921 4.466 1.769 1.00 10.00 O ATOM 78 CB SER A 6 -7.401 2.966 1.709 1.00 10.00 C ATOM 79 OG SER A 6 -6.469 1.906 1.542 1.00 10.00 O ATOM 0 H SER A 6 -6.895 2.927 -0.697 1.00 10.00 H new ATOM 0 HA SER A 6 -9.133 2.021 0.844 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.887 3.925 1.637 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.844 2.916 2.704 1.00 10.00 H new ATOM 0 HG SER A 6 -6.449 1.357 2.354 1.00 10.00 H new ATOM 85 N ALA A 7 -9.580 4.784 -0.423 1.00 10.00 N ATOM 86 CA ALA A 7 -10.421 5.968 -0.492 1.00 10.00 C ATOM 87 C ALA A 7 -11.900 5.592 -0.564 1.00 10.00 C ATOM 88 O ALA A 7 -12.267 4.428 -0.417 1.00 10.00 O ATOM 89 CB ALA A 7 -10.028 6.814 -1.691 1.00 10.00 C ATOM 0 H ALA A 7 -9.151 4.520 -1.310 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.270 6.549 0.418 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.663 7.699 -1.736 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.986 7.119 -1.595 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.153 6.232 -2.604 1.00 10.00 H new ATOM 95 N TYR A 8 -12.742 6.573 -0.835 1.00 10.00 N ATOM 96 CA TYR A 8 -14.175 6.347 -0.893 1.00 10.00 C ATOM 97 C TYR A 8 -14.681 6.328 -2.333 1.00 10.00 C ATOM 98 O TYR A 8 -15.123 7.347 -2.861 1.00 10.00 O ATOM 99 CB TYR A 8 -14.886 7.433 -0.071 1.00 10.00 C ATOM 100 CG TYR A 8 -16.396 7.306 0.011 1.00 10.00 C ATOM 101 CD1 TYR A 8 -17.047 6.104 -0.255 1.00 10.00 C ATOM 102 CD2 TYR A 8 -17.170 8.405 0.364 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.424 6.004 -0.171 1.00 10.00 C ATOM 104 CE2 TYR A 8 -18.547 8.312 0.447 1.00 10.00 C ATOM 105 CZ TYR A 8 -19.168 7.112 0.177 1.00 10.00 C ATOM 106 OH TYR A 8 -20.537 7.016 0.270 1.00 10.00 O ATOM 0 H TYR A 8 -12.458 7.535 -1.019 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.397 5.368 -0.469 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -14.482 7.421 0.941 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.643 8.406 -0.499 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.467 5.236 -0.531 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.688 9.348 0.577 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.914 5.064 -0.377 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -19.133 9.176 0.722 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.909 7.886 0.526 1.00 10.00 H new ATOM 116 N GLY A 9 -14.588 5.165 -2.970 1.00 10.00 N ATOM 117 CA GLY A 9 -15.084 5.024 -4.326 1.00 10.00 C ATOM 118 C GLY A 9 -14.000 5.043 -5.388 1.00 10.00 C ATOM 119 O GLY A 9 -14.300 5.100 -6.579 1.00 10.00 O ATOM 0 H GLY A 9 -14.179 4.320 -2.572 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.637 4.088 -4.404 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.790 5.829 -4.529 1.00 10.00 H new ATOM 123 N CYS A 10 -12.742 4.975 -4.977 1.00 10.00 N ATOM 124 CA CYS A 10 -11.644 4.994 -5.936 1.00 10.00 C ATOM 125 C CYS A 10 -11.356 3.607 -6.510 1.00 10.00 C ATOM 126 O CYS A 10 -10.378 2.956 -6.133 1.00 10.00 O ATOM 127 CB CYS A 10 -10.372 5.584 -5.339 1.00 10.00 C ATOM 128 SG CYS A 10 -9.047 5.765 -6.550 1.00 10.00 S ATOM 0 H CYS A 10 -12.457 4.907 -4.000 1.00 10.00 H new ATOM 0 HA CYS A 10 -11.971 5.639 -6.751 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.598 6.559 -4.906 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.029 4.946 -4.525 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.083 6.470 -6.037 1.00 10.00 H new ATOM 133 N LYS A 11 -12.233 3.143 -7.389 1.00 10.00 N ATOM 134 CA LYS A 11 -12.063 1.848 -8.041 1.00 10.00 C ATOM 135 C LYS A 11 -11.129 2.000 -9.246 1.00 10.00 C ATOM 136 O LYS A 11 -11.385 1.476 -10.332 1.00 10.00 O ATOM 137 CB LYS A 11 -13.418 1.297 -8.490 1.00 10.00 C ATOM 138 CG LYS A 11 -14.487 1.346 -7.410 1.00 10.00 C ATOM 139 CD LYS A 11 -15.682 0.486 -7.770 1.00 10.00 C ATOM 140 CE LYS A 11 -15.683 -0.814 -6.981 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.810 -1.700 -7.364 1.00 10.00 N ATOM 0 H LYS A 11 -13.075 3.646 -7.670 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.624 1.147 -7.332 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.762 1.864 -9.355 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.290 0.265 -8.816 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.065 1.007 -6.464 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.810 2.377 -7.263 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -16.602 1.036 -7.571 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -15.667 0.266 -8.838 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.740 -1.337 -7.144 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -15.744 -0.591 -5.916 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.771 -2.574 -6.801 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -17.711 -1.213 -7.185 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.739 -1.935 -8.374 1.00 10.00 H new ATOM 155 N ASN A 12 -10.033 2.715 -9.031 1.00 10.00 N ATOM 156 CA ASN A 12 -9.051 2.983 -10.080 1.00 10.00 C ATOM 157 C ASN A 12 -7.965 1.930 -10.111 1.00 10.00 C ATOM 158 O ASN A 12 -6.777 2.255 -10.067 1.00 10.00 O ATOM 159 CB ASN A 12 -8.421 4.347 -9.885 1.00 10.00 C ATOM 160 CG ASN A 12 -9.402 5.482 -10.153 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.439 5.282 -10.788 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.079 6.687 -9.707 1.00 10.00 N ATOM 0 H ASN A 12 -9.797 3.126 -8.128 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.583 2.959 -11.031 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.045 4.428 -8.865 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.563 4.447 -10.550 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.696 7.479 -9.887 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.214 6.822 -9.184 1.00 10.00 H new ATOM 169 N ARG A 13 -8.407 0.684 -10.110 1.00 10.00 N ATOM 170 CA ARG A 13 -7.532 -0.499 -10.191 1.00 10.00 C ATOM 171 C ARG A 13 -6.325 -0.201 -11.098 1.00 10.00 C ATOM 172 O ARG A 13 -6.493 0.443 -12.137 1.00 10.00 O ATOM 173 CB ARG A 13 -8.323 -1.678 -10.786 1.00 10.00 C ATOM 174 CG ARG A 13 -8.001 -3.054 -10.205 1.00 10.00 C ATOM 175 CD ARG A 13 -6.512 -3.377 -10.251 1.00 10.00 C ATOM 176 NE ARG A 13 -6.252 -4.789 -9.960 1.00 10.00 N ATOM 177 CZ ARG A 13 -5.049 -5.369 -10.041 1.00 10.00 C ATOM 178 NH1 ARG A 13 -3.999 -4.682 -10.482 1.00 10.00 N ATOM 179 NH2 ARG A 13 -4.897 -6.642 -9.685 1.00 10.00 N ATOM 0 H ARG A 13 -9.398 0.450 -10.052 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.181 -0.750 -9.190 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.387 -1.485 -10.646 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.143 -1.707 -11.861 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.347 -3.098 -9.172 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -8.551 -3.815 -10.758 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.117 -3.130 -11.236 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -5.983 -2.754 -9.530 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.041 -5.369 -9.676 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -4.108 -3.707 -10.761 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -3.085 -5.130 -10.541 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -5.698 -7.177 -9.350 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -3.979 -7.083 -9.747 1.00 10.00 H new ATOM 193 N TYR A 14 -5.128 -0.656 -10.699 1.00 10.00 N ATOM 194 CA TYR A 14 -3.897 -0.435 -11.478 1.00 10.00 C ATOM 195 C TYR A 14 -4.143 -0.561 -12.980 1.00 10.00 C ATOM 196 O TYR A 14 -4.370 -1.652 -13.504 1.00 10.00 O ATOM 197 CB TYR A 14 -2.804 -1.430 -11.067 1.00 10.00 C ATOM 198 CG TYR A 14 -1.400 -0.838 -10.980 1.00 10.00 C ATOM 199 CD1 TYR A 14 -0.840 -0.109 -12.032 1.00 10.00 C ATOM 200 CD2 TYR A 14 -0.631 -1.011 -9.835 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.431 0.422 -11.936 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.643 -0.480 -9.737 1.00 10.00 C ATOM 203 CZ TYR A 14 1.168 0.235 -10.788 1.00 10.00 C ATOM 204 OH TYR A 14 2.436 0.770 -10.691 1.00 10.00 O ATOM 0 H TYR A 14 -4.985 -1.182 -9.837 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.569 0.582 -11.262 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.065 -1.855 -10.098 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -2.793 -2.252 -11.783 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.411 0.042 -12.936 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.036 -1.571 -9.005 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.846 0.983 -12.760 1.00 10.00 H new ATOM 0 HE2 TYR A 14 1.223 -0.627 -8.838 1.00 10.00 H new ATOM 0 HH TYR A 14 2.819 0.548 -9.817 1.00 10.00 H new ATOM 214 N ASP A 15 -4.107 0.574 -13.641 1.00 10.00 N ATOM 215 CA ASP A 15 -4.291 0.666 -15.078 1.00 10.00 C ATOM 216 C ASP A 15 -3.173 1.527 -15.614 1.00 10.00 C ATOM 217 O ASP A 15 -3.094 2.720 -15.325 1.00 10.00 O ATOM 218 CB ASP A 15 -5.663 1.251 -15.431 1.00 10.00 C ATOM 219 CG ASP A 15 -5.684 1.922 -16.791 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.318 1.269 -17.794 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.074 3.111 -16.851 1.00 10.00 O ATOM 0 H ASP A 15 -3.947 1.475 -13.191 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.260 -0.326 -15.529 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.408 0.455 -15.412 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.951 1.975 -14.669 1.00 10.00 H new ATOM 226 N LYS A 16 -2.294 0.893 -16.354 1.00 10.00 N ATOM 227 CA LYS A 16 -1.122 1.539 -16.917 1.00 10.00 C ATOM 228 C LYS A 16 -1.475 2.740 -17.798 1.00 10.00 C ATOM 229 O LYS A 16 -0.650 3.637 -17.985 1.00 10.00 O ATOM 230 CB LYS A 16 -0.326 0.507 -17.704 1.00 10.00 C ATOM 231 CG LYS A 16 -0.712 0.426 -19.173 1.00 10.00 C ATOM 232 CD LYS A 16 -1.217 -0.959 -19.536 1.00 10.00 C ATOM 233 CE LYS A 16 -1.761 -1.013 -20.954 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.179 -0.569 -21.031 1.00 10.00 N ATOM 0 H LYS A 16 -2.369 -0.097 -16.587 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.522 1.933 -16.096 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.735 0.745 -17.629 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.466 -0.472 -17.246 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.484 1.165 -19.390 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.150 0.675 -19.792 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.406 -1.680 -19.431 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.999 -1.255 -18.836 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.150 -0.383 -21.600 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.680 -2.032 -21.333 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.714 -1.219 -21.641 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.595 -0.568 -20.078 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.221 0.391 -21.428 1.00 10.00 H new ATOM 248 N ASP A 17 -2.686 2.754 -18.345 1.00 10.00 N ATOM 249 CA ASP A 17 -3.124 3.858 -19.194 1.00 10.00 C ATOM 250 C ASP A 17 -3.281 5.124 -18.376 1.00 10.00 C ATOM 251 O ASP A 17 -3.056 6.235 -18.863 1.00 10.00 O ATOM 252 CB ASP A 17 -4.449 3.527 -19.864 1.00 10.00 C ATOM 253 CG ASP A 17 -4.270 3.088 -21.298 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.822 1.947 -21.524 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.564 3.891 -22.209 1.00 10.00 O ATOM 0 H ASP A 17 -3.380 2.017 -18.217 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.365 4.014 -19.960 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -4.950 2.737 -19.304 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.099 4.402 -19.832 1.00 10.00 H new ATOM 260 N LYS A 18 -3.684 4.944 -17.131 1.00 10.00 N ATOM 261 CA LYS A 18 -3.870 6.058 -16.218 1.00 10.00 C ATOM 262 C LYS A 18 -2.564 6.347 -15.489 1.00 10.00 C ATOM 263 O LYS A 18 -1.824 5.427 -15.137 1.00 10.00 O ATOM 264 CB LYS A 18 -5.015 5.757 -15.239 1.00 10.00 C ATOM 265 CG LYS A 18 -4.585 5.247 -13.869 1.00 10.00 C ATOM 266 CD LYS A 18 -5.666 4.397 -13.196 1.00 10.00 C ATOM 267 CE LYS A 18 -7.072 4.759 -13.655 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.589 3.795 -14.665 1.00 10.00 N ATOM 0 H LYS A 18 -3.890 4.030 -16.727 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.147 6.950 -16.780 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.602 6.665 -15.102 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.674 5.017 -15.693 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.675 4.656 -13.974 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.343 6.095 -13.229 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.479 3.344 -13.409 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.598 4.521 -12.115 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.741 4.778 -12.795 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.069 5.763 -14.079 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.391 4.221 -15.172 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -6.834 3.564 -15.342 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.903 2.927 -14.187 1.00 10.00 H new ATOM 282 N PRO A 19 -2.241 7.629 -15.270 1.00 10.00 N ATOM 283 CA PRO A 19 -0.997 8.015 -14.603 1.00 10.00 C ATOM 284 C PRO A 19 -1.061 7.922 -13.080 1.00 10.00 C ATOM 285 O PRO A 19 -1.177 8.935 -12.386 1.00 10.00 O ATOM 286 CB PRO A 19 -0.830 9.467 -15.043 1.00 10.00 C ATOM 287 CG PRO A 19 -2.222 9.975 -15.210 1.00 10.00 C ATOM 288 CD PRO A 19 -3.048 8.804 -15.668 1.00 10.00 C ATOM 0 HA PRO A 19 -0.172 7.354 -14.870 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.284 10.046 -14.298 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.269 9.536 -15.975 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.604 10.377 -14.272 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.256 10.784 -15.940 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.029 8.796 -15.193 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.215 8.829 -16.745 1.00 10.00 H new ATOM 296 N VAL A 20 -0.977 6.704 -12.558 1.00 10.00 N ATOM 297 CA VAL A 20 -0.978 6.488 -11.119 1.00 10.00 C ATOM 298 C VAL A 20 -0.120 5.276 -10.778 1.00 10.00 C ATOM 299 O VAL A 20 0.009 4.345 -11.574 1.00 10.00 O ATOM 300 CB VAL A 20 -2.396 6.291 -10.486 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.413 7.296 -11.001 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.908 4.873 -10.670 1.00 10.00 C ATOM 0 H VAL A 20 -0.907 5.851 -13.112 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.572 7.405 -10.691 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.272 6.472 -9.418 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.378 7.112 -10.528 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.079 8.306 -10.763 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.513 7.192 -12.081 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.895 4.781 -10.216 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.976 4.646 -11.734 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.222 4.174 -10.192 1.00 10.00 H new ATOM 312 N SER A 21 0.484 5.319 -9.611 1.00 10.00 N ATOM 313 CA SER A 21 1.305 4.230 -9.129 1.00 10.00 C ATOM 314 C SER A 21 0.737 3.762 -7.798 1.00 10.00 C ATOM 315 O SER A 21 0.003 4.513 -7.150 1.00 10.00 O ATOM 316 CB SER A 21 2.754 4.696 -8.966 1.00 10.00 C ATOM 317 OG SER A 21 2.805 6.043 -8.516 1.00 10.00 O ATOM 0 H SER A 21 0.420 6.109 -8.970 1.00 10.00 H new ATOM 0 HA SER A 21 1.299 3.406 -9.842 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.270 4.051 -8.255 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.279 4.606 -9.917 1.00 10.00 H new ATOM 0 HG SER A 21 3.740 6.320 -8.417 1.00 10.00 H new ATOM 323 N PHE A 22 1.068 2.556 -7.373 1.00 10.00 N ATOM 324 CA PHE A 22 0.549 2.050 -6.119 1.00 10.00 C ATOM 325 C PHE A 22 1.652 2.010 -5.066 1.00 10.00 C ATOM 326 O PHE A 22 2.838 2.131 -5.371 1.00 10.00 O ATOM 327 CB PHE A 22 -0.112 0.674 -6.316 1.00 10.00 C ATOM 328 CG PHE A 22 -1.612 0.739 -6.516 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.167 0.861 -7.787 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.471 0.675 -5.428 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.543 0.918 -7.964 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.843 0.732 -5.601 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.377 0.856 -6.869 1.00 10.00 C ATOM 0 H PHE A 22 1.686 1.917 -7.872 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.225 2.728 -5.759 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.339 0.185 -7.179 1.00 10.00 H new ATOM 0 HB3 PHE A 22 0.103 0.051 -5.448 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.517 0.912 -8.648 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.063 0.579 -4.432 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -3.958 1.011 -8.957 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.497 0.679 -4.743 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.448 0.904 -7.002 1.00 10.00 H new ATOM 343 N HIS A 23 1.232 1.957 -3.819 1.00 10.00 N ATOM 344 CA HIS A 23 2.134 1.935 -2.662 1.00 10.00 C ATOM 345 C HIS A 23 1.423 1.278 -1.517 1.00 10.00 C ATOM 346 O HIS A 23 0.257 0.990 -1.625 1.00 10.00 O ATOM 347 CB HIS A 23 2.487 3.349 -2.184 1.00 10.00 C ATOM 348 CG HIS A 23 2.129 4.431 -3.130 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.872 5.158 -3.993 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.840 4.834 -3.298 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 2.008 5.983 -4.669 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.786 5.753 -4.218 1.00 10.00 N flip ATOM 0 H HIS A 23 0.244 1.927 -3.566 1.00 10.00 H new ATOM 0 HA HIS A 23 3.040 1.409 -2.964 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.983 3.533 -1.235 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.559 3.395 -1.990 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.883 5.104 -4.118 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.009 4.450 -2.751 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.278 6.695 -5.435 1.00 10.00 H new ATOM 361 N LYS A 24 2.097 1.066 -0.422 1.00 10.00 N ATOM 362 CA LYS A 24 1.450 0.491 0.735 1.00 10.00 C ATOM 363 C LYS A 24 1.307 1.590 1.790 1.00 10.00 C ATOM 364 O LYS A 24 1.883 2.665 1.621 1.00 10.00 O ATOM 365 CB LYS A 24 2.253 -0.685 1.283 1.00 10.00 C ATOM 366 CG LYS A 24 1.775 -2.031 0.759 1.00 10.00 C ATOM 367 CD LYS A 24 2.851 -3.097 0.876 1.00 10.00 C ATOM 368 CE LYS A 24 3.348 -3.254 2.305 1.00 10.00 C ATOM 369 NZ LYS A 24 4.575 -4.089 2.363 1.00 10.00 N ATOM 0 H LYS A 24 3.087 1.279 -0.301 1.00 10.00 H new ATOM 0 HA LYS A 24 0.468 0.106 0.459 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.303 -0.553 1.023 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.192 -0.683 2.371 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.891 -2.344 1.315 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.476 -1.929 -0.284 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.457 -4.050 0.523 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.688 -2.839 0.228 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.554 -2.272 2.730 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.568 -3.708 2.915 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.889 -4.177 3.351 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.370 -5.034 1.979 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.326 -3.642 1.800 1.00 10.00 H new ATOM 383 N PHE A 25 0.514 1.360 2.836 1.00 10.00 N ATOM 384 CA PHE A 25 0.354 2.363 3.899 1.00 10.00 C ATOM 385 C PHE A 25 1.701 2.696 4.529 1.00 10.00 C ATOM 386 O PHE A 25 2.640 1.897 4.459 1.00 10.00 O ATOM 387 CB PHE A 25 -0.547 1.845 5.020 1.00 10.00 C ATOM 388 CG PHE A 25 -1.961 2.396 5.039 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.868 2.054 4.062 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.381 3.245 6.054 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.162 2.545 4.079 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.673 3.737 6.082 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.563 3.389 5.091 1.00 10.00 C ATOM 0 H PHE A 25 -0.022 0.503 2.974 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.089 3.244 3.434 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.601 0.759 4.944 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.075 2.075 5.975 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.564 1.390 3.267 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.688 3.525 6.834 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.856 2.267 3.300 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.984 4.394 6.881 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.571 3.776 5.107 1.00 10.00 H new ATOM 403 N PRO A 26 1.817 3.879 5.154 1.00 10.00 N ATOM 404 CA PRO A 26 3.040 4.289 5.845 1.00 10.00 C ATOM 405 C PRO A 26 3.242 3.456 7.103 1.00 10.00 C ATOM 406 O PRO A 26 3.027 3.925 8.220 1.00 10.00 O ATOM 407 CB PRO A 26 2.760 5.742 6.215 1.00 10.00 C ATOM 408 CG PRO A 26 1.284 5.817 6.304 1.00 10.00 C ATOM 409 CD PRO A 26 0.780 4.925 5.218 1.00 10.00 C ATOM 0 HA PRO A 26 3.938 4.162 5.241 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.230 6.009 7.161 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.149 6.427 5.461 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.931 5.486 7.281 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.933 6.840 6.168 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.200 4.511 5.456 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.680 5.456 4.271 1.00 10.00 H new ATOM 417 N LEU A 27 3.655 2.218 6.919 1.00 10.00 N ATOM 418 CA LEU A 27 3.845 1.306 8.023 1.00 10.00 C ATOM 419 C LEU A 27 5.000 1.743 8.888 1.00 10.00 C ATOM 420 O LEU A 27 5.086 1.395 10.063 1.00 10.00 O ATOM 421 CB LEU A 27 4.058 -0.102 7.489 1.00 10.00 C ATOM 422 CG LEU A 27 2.768 -0.816 7.086 1.00 10.00 C ATOM 423 CD1 LEU A 27 3.058 -2.235 6.614 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.798 -0.814 8.257 1.00 10.00 C ATOM 0 H LEU A 27 3.867 1.820 6.004 1.00 10.00 H new ATOM 0 HA LEU A 27 2.952 1.311 8.648 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.721 -0.055 6.625 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.567 -0.695 8.249 1.00 10.00 H new ATOM 0 HG LEU A 27 2.311 -0.283 6.252 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.125 -2.723 6.333 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.725 -2.203 5.752 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.532 -2.796 7.419 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.878 -1.323 7.969 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.249 -1.331 9.104 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.570 0.214 8.539 1.00 10.00 H new ATOM 436 N THR A 28 5.881 2.517 8.296 1.00 10.00 N ATOM 437 CA THR A 28 7.032 3.023 8.995 1.00 10.00 C ATOM 438 C THR A 28 6.756 4.429 9.532 1.00 10.00 C ATOM 439 O THR A 28 7.662 5.132 9.977 1.00 10.00 O ATOM 440 CB THR A 28 8.254 3.010 8.060 1.00 10.00 C ATOM 441 OG1 THR A 28 8.070 3.948 6.990 1.00 10.00 O ATOM 442 CG2 THR A 28 8.432 1.616 7.480 1.00 10.00 C ATOM 0 H THR A 28 5.817 2.810 7.321 1.00 10.00 H new ATOM 0 HA THR A 28 7.246 2.380 9.849 1.00 10.00 H new ATOM 0 HB THR A 28 9.139 3.290 8.631 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.854 3.932 6.403 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.297 1.605 6.817 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.586 0.902 8.289 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.541 1.340 6.917 1.00 10.00 H new ATOM 450 N ARG A 29 5.481 4.817 9.488 1.00 10.00 N ATOM 451 CA ARG A 29 5.019 6.109 9.976 1.00 10.00 C ATOM 452 C ARG A 29 3.617 5.929 10.553 1.00 10.00 C ATOM 453 O ARG A 29 2.665 6.519 10.064 1.00 10.00 O ATOM 454 CB ARG A 29 4.978 7.123 8.827 1.00 10.00 C ATOM 455 CG ARG A 29 6.006 8.236 8.917 1.00 10.00 C ATOM 456 CD ARG A 29 5.516 9.381 9.780 1.00 10.00 C ATOM 457 NE ARG A 29 6.511 9.797 10.757 1.00 10.00 N ATOM 458 CZ ARG A 29 7.503 10.650 10.505 1.00 10.00 C ATOM 459 NH1 ARG A 29 7.682 11.132 9.279 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.326 11.008 11.479 1.00 10.00 N ATOM 0 H ARG A 29 4.735 4.234 9.108 1.00 10.00 H new ATOM 0 HA ARG A 29 5.699 6.481 10.742 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.123 6.590 7.887 1.00 10.00 H new ATOM 0 HB3 ARG A 29 3.984 7.569 8.791 1.00 10.00 H new ATOM 0 HG2 ARG A 29 6.935 7.841 9.329 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.232 8.605 7.917 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.257 10.228 9.144 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.605 9.080 10.297 1.00 10.00 H new ATOM 0 HE ARG A 29 6.445 9.409 11.698 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.058 10.849 8.524 1.00 10.00 H new ATOM 0 HH12 ARG A 29 8.444 11.785 9.094 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.199 10.631 12.418 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.087 11.661 11.290 1.00 10.00 H new ATOM 474 N PRO A 30 3.485 5.099 11.603 1.00 10.00 N ATOM 475 CA PRO A 30 2.196 4.764 12.233 1.00 10.00 C ATOM 476 C PRO A 30 1.281 5.937 12.580 1.00 10.00 C ATOM 477 O PRO A 30 0.151 5.967 12.127 1.00 10.00 O ATOM 478 CB PRO A 30 2.583 4.047 13.517 1.00 10.00 C ATOM 479 CG PRO A 30 4.061 4.200 13.656 1.00 10.00 C ATOM 480 CD PRO A 30 4.589 4.400 12.273 1.00 10.00 C ATOM 0 HA PRO A 30 1.609 4.184 11.520 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.066 4.479 14.374 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.304 2.994 13.473 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.307 5.049 14.293 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.502 3.317 14.118 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.504 4.993 12.271 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.822 3.452 11.788 1.00 10.00 H new ATOM 488 N SER A 31 1.730 6.877 13.411 1.00 10.00 N ATOM 489 CA SER A 31 0.882 8.014 13.780 1.00 10.00 C ATOM 490 C SER A 31 0.328 8.665 12.522 1.00 10.00 C ATOM 491 O SER A 31 -0.873 8.904 12.405 1.00 10.00 O ATOM 492 CB SER A 31 1.669 9.025 14.615 1.00 10.00 C ATOM 493 OG SER A 31 2.351 8.376 15.677 1.00 10.00 O ATOM 0 H SER A 31 2.658 6.877 13.835 1.00 10.00 H new ATOM 0 HA SER A 31 0.051 7.657 14.388 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.386 9.548 13.982 1.00 10.00 H new ATOM 0 HB3 SER A 31 0.991 9.778 15.018 1.00 10.00 H new ATOM 0 HG SER A 31 2.850 9.039 16.199 1.00 10.00 H new ATOM 499 N LEU A 32 1.204 8.873 11.556 1.00 10.00 N ATOM 500 CA LEU A 32 0.814 9.456 10.293 1.00 10.00 C ATOM 501 C LEU A 32 -0.111 8.474 9.567 1.00 10.00 C ATOM 502 O LEU A 32 -1.098 8.865 8.957 1.00 10.00 O ATOM 503 CB LEU A 32 2.085 9.789 9.486 1.00 10.00 C ATOM 504 CG LEU A 32 1.908 10.271 8.042 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.809 9.100 7.092 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.710 11.191 7.929 1.00 10.00 C ATOM 0 H LEU A 32 2.195 8.644 11.627 1.00 10.00 H new ATOM 0 HA LEU A 32 0.263 10.386 10.431 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.636 10.556 10.030 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.713 8.898 9.467 1.00 10.00 H new ATOM 0 HG LEU A 32 2.790 10.845 7.758 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.684 9.467 6.073 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.719 8.504 7.153 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.952 8.483 7.363 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.602 11.522 6.896 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.189 10.657 8.235 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.854 12.057 8.575 1.00 10.00 H new ATOM 518 N CYS A 33 0.166 7.191 9.726 1.00 10.00 N ATOM 519 CA CYS A 33 -0.622 6.141 9.098 1.00 10.00 C ATOM 520 C CYS A 33 -2.047 6.239 9.589 1.00 10.00 C ATOM 521 O CYS A 33 -3.018 6.090 8.847 1.00 10.00 O ATOM 522 CB CYS A 33 -0.039 4.787 9.515 1.00 10.00 C ATOM 523 SG CYS A 33 -0.797 3.341 8.745 1.00 10.00 S ATOM 0 H CYS A 33 0.941 6.847 10.292 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.599 6.244 8.013 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.026 4.783 9.283 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.130 4.690 10.597 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.278 3.670 7.583 1.00 10.00 H new ATOM 529 N LYS A 34 -2.132 6.582 10.851 1.00 10.00 N ATOM 530 CA LYS A 34 -3.371 6.677 11.557 1.00 10.00 C ATOM 531 C LYS A 34 -4.250 7.823 11.059 1.00 10.00 C ATOM 532 O LYS A 34 -5.475 7.693 11.060 1.00 10.00 O ATOM 533 CB LYS A 34 -3.041 6.804 13.037 1.00 10.00 C ATOM 534 CG LYS A 34 -4.121 7.451 13.872 1.00 10.00 C ATOM 535 CD LYS A 34 -3.507 8.443 14.841 1.00 10.00 C ATOM 536 CE LYS A 34 -4.265 8.469 16.161 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.934 7.296 17.016 1.00 10.00 N ATOM 0 H LYS A 34 -1.318 6.807 11.423 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.965 5.781 11.379 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.838 5.810 13.437 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.124 7.383 13.142 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.837 7.958 13.225 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.673 6.688 14.421 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.465 8.180 15.023 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.511 9.438 14.397 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -4.028 9.388 16.698 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -5.337 8.483 15.964 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.471 7.352 17.905 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -4.184 6.420 16.515 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.915 7.296 17.226 1.00 10.00 H new ATOM 551 N GLU A 35 -3.674 8.928 10.583 1.00 10.00 N ATOM 552 CA GLU A 35 -4.542 10.011 10.131 1.00 10.00 C ATOM 553 C GLU A 35 -5.180 9.637 8.816 1.00 10.00 C ATOM 554 O GLU A 35 -6.204 10.203 8.439 1.00 10.00 O ATOM 555 CB GLU A 35 -3.864 11.369 10.006 1.00 10.00 C ATOM 556 CG GLU A 35 -2.387 11.313 9.713 1.00 10.00 C ATOM 557 CD GLU A 35 -1.685 12.615 10.033 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.689 13.525 9.186 1.00 10.00 O ATOM 559 OE2 GLU A 35 -1.130 12.737 11.145 1.00 10.00 O ATOM 0 H GLU A 35 -2.670 9.092 10.503 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.291 10.130 10.913 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.356 11.934 9.214 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -4.016 11.922 10.933 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.935 10.508 10.292 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.237 11.072 8.661 1.00 10.00 H new ATOM 566 N TRP A 36 -4.595 8.666 8.119 1.00 10.00 N ATOM 567 CA TRP A 36 -5.171 8.223 6.870 1.00 10.00 C ATOM 568 C TRP A 36 -6.537 7.655 7.173 1.00 10.00 C ATOM 569 O TRP A 36 -7.473 7.820 6.396 1.00 10.00 O ATOM 570 CB TRP A 36 -4.268 7.200 6.169 1.00 10.00 C ATOM 571 CG TRP A 36 -2.966 7.789 5.707 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.289 8.818 6.292 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.187 7.397 4.567 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.150 9.105 5.590 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.054 8.239 4.532 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.330 6.420 3.571 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.079 8.136 3.545 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.359 6.323 2.593 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.246 7.175 2.587 1.00 10.00 C ATOM 0 H TRP A 36 -3.740 8.184 8.397 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.265 9.060 6.179 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.066 6.374 6.851 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.797 6.783 5.312 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.608 9.335 7.185 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.482 9.842 5.817 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.182 5.757 3.569 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.779 8.792 3.536 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.459 5.577 1.819 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.496 7.070 1.809 1.00 10.00 H new ATOM 590 N GLU A 37 -6.673 7.082 8.374 1.00 10.00 N ATOM 591 CA GLU A 37 -7.939 6.521 8.792 1.00 10.00 C ATOM 592 C GLU A 37 -8.957 7.653 8.920 1.00 10.00 C ATOM 593 O GLU A 37 -10.127 7.498 8.576 1.00 10.00 O ATOM 594 CB GLU A 37 -7.805 5.794 10.136 1.00 10.00 C ATOM 595 CG GLU A 37 -6.531 4.983 10.301 1.00 10.00 C ATOM 596 CD GLU A 37 -6.684 3.519 9.950 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.398 2.802 10.686 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.049 3.064 8.981 1.00 10.00 O ATOM 0 H GLU A 37 -5.923 7.000 9.060 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.267 5.795 8.048 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.856 6.531 10.938 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.660 5.129 10.260 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.752 5.417 9.674 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.191 5.065 11.333 1.00 10.00 H new ATOM 605 N ALA A 38 -8.464 8.815 9.354 1.00 10.00 N ATOM 606 CA ALA A 38 -9.284 9.998 9.549 1.00 10.00 C ATOM 607 C ALA A 38 -9.856 10.488 8.225 1.00 10.00 C ATOM 608 O ALA A 38 -10.865 11.195 8.194 1.00 10.00 O ATOM 609 CB ALA A 38 -8.477 11.098 10.225 1.00 10.00 C ATOM 0 H ALA A 38 -7.479 8.956 9.579 1.00 10.00 H new ATOM 0 HA ALA A 38 -10.118 9.732 10.198 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -9.106 11.977 10.364 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.125 10.747 11.195 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.622 11.358 9.601 1.00 10.00 H new ATOM 615 N ALA A 39 -9.203 10.114 7.129 1.00 10.00 N ATOM 616 CA ALA A 39 -9.662 10.501 5.808 1.00 10.00 C ATOM 617 C ALA A 39 -10.686 9.487 5.316 1.00 10.00 C ATOM 618 O ALA A 39 -11.581 9.813 4.531 1.00 10.00 O ATOM 619 CB ALA A 39 -8.489 10.616 4.846 1.00 10.00 C ATOM 0 H ALA A 39 -8.357 9.545 7.134 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.136 11.481 5.859 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.854 10.907 3.861 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.791 11.369 5.212 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.981 9.654 4.775 1.00 10.00 H new ATOM 625 N VAL A 40 -10.575 8.264 5.826 1.00 10.00 N ATOM 626 CA VAL A 40 -11.489 7.190 5.467 1.00 10.00 C ATOM 627 C VAL A 40 -12.685 7.229 6.421 1.00 10.00 C ATOM 628 O VAL A 40 -13.061 6.229 7.025 1.00 10.00 O ATOM 629 CB VAL A 40 -10.819 5.806 5.551 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.516 4.827 4.628 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.331 5.873 5.225 1.00 10.00 C ATOM 0 H VAL A 40 -9.854 7.993 6.495 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.804 7.341 4.434 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.914 5.458 6.580 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -11.032 3.853 4.698 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.562 4.734 4.920 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.456 5.189 3.602 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.898 4.875 5.296 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.197 6.256 4.213 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.833 6.536 5.932 1.00 10.00 H new ATOM 641 N ARG A 41 -13.253 8.418 6.540 1.00 10.00 N ATOM 642 CA ARG A 41 -14.390 8.710 7.428 1.00 10.00 C ATOM 643 C ARG A 41 -15.677 7.940 7.091 1.00 10.00 C ATOM 644 O ARG A 41 -16.753 8.277 7.590 1.00 10.00 O ATOM 645 CB ARG A 41 -14.678 10.222 7.409 1.00 10.00 C ATOM 646 CG ARG A 41 -15.505 10.695 6.213 1.00 10.00 C ATOM 647 CD ARG A 41 -14.640 11.031 5.004 1.00 10.00 C ATOM 648 NE ARG A 41 -15.318 11.957 4.102 1.00 10.00 N ATOM 649 CZ ARG A 41 -14.701 12.713 3.197 1.00 10.00 C ATOM 650 NH1 ARG A 41 -13.379 12.656 3.059 1.00 10.00 N ATOM 651 NH2 ARG A 41 -15.411 13.538 2.437 1.00 10.00 N ATOM 0 H ARG A 41 -12.936 9.232 6.014 1.00 10.00 H new ATOM 0 HA ARG A 41 -14.091 8.374 8.421 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.202 10.491 8.326 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.730 10.760 7.414 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -16.220 9.919 5.940 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -16.082 11.574 6.499 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.700 11.470 5.339 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.391 10.115 4.468 1.00 10.00 H new ATOM 0 HE ARG A 41 -16.333 12.030 4.170 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -12.831 12.030 3.649 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -12.913 13.238 2.363 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -16.424 13.590 2.548 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -14.944 14.120 1.742 1.00 10.00 H new ATOM 665 N ARG A 42 -15.589 6.921 6.260 1.00 10.00 N ATOM 666 CA ARG A 42 -16.770 6.160 5.893 1.00 10.00 C ATOM 667 C ARG A 42 -16.882 4.886 6.721 1.00 10.00 C ATOM 668 O ARG A 42 -15.875 4.338 7.170 1.00 10.00 O ATOM 669 CB ARG A 42 -16.754 5.834 4.401 1.00 10.00 C ATOM 670 CG ARG A 42 -18.035 6.234 3.690 1.00 10.00 C ATOM 671 CD ARG A 42 -18.288 7.728 3.786 1.00 10.00 C ATOM 672 NE ARG A 42 -19.700 8.062 3.588 1.00 10.00 N ATOM 673 CZ ARG A 42 -20.419 8.791 4.443 1.00 10.00 C ATOM 674 NH1 ARG A 42 -19.861 9.263 5.551 1.00 10.00 N ATOM 675 NH2 ARG A 42 -21.698 9.039 4.194 1.00 10.00 N ATOM 0 H ARG A 42 -14.722 6.602 5.829 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.646 6.774 6.104 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.912 6.343 3.933 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.592 4.764 4.271 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.976 5.942 2.642 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.876 5.694 4.124 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.964 8.088 4.763 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.685 8.246 3.040 1.00 10.00 H new ATOM 0 HE ARG A 42 -20.161 7.717 2.746 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -18.880 9.069 5.751 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -20.413 9.820 6.203 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -22.133 8.672 3.348 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -22.246 9.597 4.849 1.00 10.00 H new ATOM 689 N LYS A 43 -18.118 4.429 6.926 1.00 10.00 N ATOM 690 CA LYS A 43 -18.380 3.219 7.699 1.00 10.00 C ATOM 691 C LYS A 43 -17.757 2.021 7.004 1.00 10.00 C ATOM 692 O LYS A 43 -17.268 1.092 7.647 1.00 10.00 O ATOM 693 CB LYS A 43 -19.894 2.997 7.872 1.00 10.00 C ATOM 694 CG LYS A 43 -20.554 2.246 6.718 1.00 10.00 C ATOM 695 CD LYS A 43 -21.899 2.836 6.334 1.00 10.00 C ATOM 696 CE LYS A 43 -23.058 2.042 6.927 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.130 2.165 8.407 1.00 10.00 N ATOM 0 H LYS A 43 -18.957 4.883 6.564 1.00 10.00 H new ATOM 0 HA LYS A 43 -17.936 3.336 8.687 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.065 2.444 8.795 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.381 3.966 7.986 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.893 2.264 5.852 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.686 1.201 6.997 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -21.954 3.869 6.677 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -21.990 2.855 5.248 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -23.994 2.390 6.490 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.951 0.991 6.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.933 1.608 8.763 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -22.248 1.809 8.828 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -23.259 3.164 8.666 1.00 10.00 H new ATOM 711 N ASN A 44 -17.773 2.068 5.684 1.00 10.00 N ATOM 712 CA ASN A 44 -17.220 1.015 4.869 1.00 10.00 C ATOM 713 C ASN A 44 -15.743 1.276 4.635 1.00 10.00 C ATOM 714 O ASN A 44 -15.307 1.567 3.521 1.00 10.00 O ATOM 715 CB ASN A 44 -17.986 0.874 3.542 1.00 10.00 C ATOM 716 CG ASN A 44 -18.385 2.197 2.888 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.708 3.181 3.557 1.00 10.00 O ATOM 718 ND2 ASN A 44 -18.390 2.225 1.566 1.00 10.00 N ATOM 0 H ASN A 44 -18.172 2.841 5.151 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.327 0.067 5.397 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.370 0.310 2.842 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.887 0.286 3.719 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -18.666 3.075 1.075 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -18.118 1.396 1.037 1.00 10.00 H new ATOM 725 N PHE A 45 -14.997 1.222 5.731 1.00 10.00 N ATOM 726 CA PHE A 45 -13.560 1.426 5.718 1.00 10.00 C ATOM 727 C PHE A 45 -12.912 0.318 4.901 1.00 10.00 C ATOM 728 O PHE A 45 -13.103 -0.863 5.188 1.00 10.00 O ATOM 729 CB PHE A 45 -13.033 1.437 7.166 1.00 10.00 C ATOM 730 CG PHE A 45 -11.588 1.835 7.321 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.578 0.938 7.030 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.238 3.100 7.769 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.252 1.284 7.173 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.914 3.456 7.915 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.919 2.547 7.614 1.00 10.00 C ATOM 0 H PHE A 45 -15.378 1.034 6.658 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.313 2.384 5.260 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.646 2.120 7.753 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.167 0.443 7.592 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.833 -0.053 6.684 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.012 3.815 8.006 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.477 0.569 6.941 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.655 4.445 8.264 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.881 2.825 7.724 1.00 10.00 H new ATOM 745 N LYS A 46 -12.181 0.718 3.872 1.00 10.00 N ATOM 746 CA LYS A 46 -11.501 -0.213 2.981 1.00 10.00 C ATOM 747 C LYS A 46 -10.375 -0.950 3.711 1.00 10.00 C ATOM 748 O LYS A 46 -10.131 -0.681 4.874 1.00 10.00 O ATOM 749 CB LYS A 46 -10.987 0.564 1.776 1.00 10.00 C ATOM 750 CG LYS A 46 -11.671 0.152 0.485 1.00 10.00 C ATOM 751 CD LYS A 46 -12.328 1.327 -0.219 1.00 10.00 C ATOM 752 CE LYS A 46 -13.665 0.930 -0.822 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.573 -0.337 -1.601 1.00 10.00 N ATOM 0 H LYS A 46 -12.042 1.699 3.630 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.197 -0.979 2.640 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.142 1.630 1.942 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.912 0.410 1.679 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.940 -0.305 -0.181 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.423 -0.606 0.701 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.474 2.143 0.489 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.669 1.699 -1.003 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.401 0.814 -0.026 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.021 1.730 -1.471 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.317 -0.353 -2.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.641 -0.396 -2.058 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.697 -1.148 -0.961 1.00 10.00 H new ATOM 767 N PRO A 47 -9.662 -1.886 3.044 1.00 10.00 N ATOM 768 CA PRO A 47 -8.592 -2.658 3.686 1.00 10.00 C ATOM 769 C PRO A 47 -7.582 -1.799 4.439 1.00 10.00 C ATOM 770 O PRO A 47 -7.407 -0.610 4.167 1.00 10.00 O ATOM 771 CB PRO A 47 -7.949 -3.419 2.532 1.00 10.00 C ATOM 772 CG PRO A 47 -9.033 -3.535 1.518 1.00 10.00 C ATOM 773 CD PRO A 47 -9.828 -2.264 1.632 1.00 10.00 C ATOM 0 HA PRO A 47 -8.986 -3.313 4.463 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.087 -2.883 2.134 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.595 -4.400 2.850 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.622 -3.652 0.515 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.658 -4.407 1.710 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.450 -1.492 0.962 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.876 -2.421 1.378 1.00 10.00 H new ATOM 781 N THR A 48 -6.868 -2.451 5.336 1.00 10.00 N ATOM 782 CA THR A 48 -5.931 -1.787 6.214 1.00 10.00 C ATOM 783 C THR A 48 -4.617 -1.456 5.551 1.00 10.00 C ATOM 784 O THR A 48 -4.442 -1.647 4.354 1.00 10.00 O ATOM 785 CB THR A 48 -5.652 -2.677 7.423 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.822 -3.788 7.034 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.949 -3.204 7.976 1.00 10.00 C ATOM 0 H THR A 48 -6.923 -3.460 5.475 1.00 10.00 H new ATOM 0 HA THR A 48 -6.395 -0.845 6.506 1.00 10.00 H new ATOM 0 HB THR A 48 -5.140 -2.087 8.183 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.903 -4.505 7.697 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.746 -3.839 8.839 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.581 -2.369 8.280 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.461 -3.786 7.210 1.00 10.00 H new ATOM 795 N LYS A 49 -3.684 -1.024 6.385 1.00 10.00 N ATOM 796 CA LYS A 49 -2.353 -0.621 5.967 1.00 10.00 C ATOM 797 C LYS A 49 -1.599 -1.700 5.213 1.00 10.00 C ATOM 798 O LYS A 49 -0.536 -1.431 4.656 1.00 10.00 O ATOM 799 CB LYS A 49 -1.529 -0.177 7.178 1.00 10.00 C ATOM 800 CG LYS A 49 -1.857 -0.896 8.473 1.00 10.00 C ATOM 801 CD LYS A 49 -2.363 0.083 9.518 1.00 10.00 C ATOM 802 CE LYS A 49 -3.815 0.456 9.279 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.259 1.553 10.175 1.00 10.00 N ATOM 0 H LYS A 49 -3.835 -0.943 7.390 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.494 0.209 5.275 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.473 -0.326 6.954 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.676 0.893 7.326 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.611 -1.661 8.289 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -0.969 -1.407 8.846 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.258 -0.357 10.510 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.748 0.983 9.502 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -3.946 0.760 8.240 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.445 -0.419 9.437 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.073 1.233 10.738 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.480 1.818 10.812 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.535 2.377 9.604 1.00 10.00 H new ATOM 817 N TYR A 50 -2.111 -2.918 5.198 1.00 10.00 N ATOM 818 CA TYR A 50 -1.433 -3.959 4.476 1.00 10.00 C ATOM 819 C TYR A 50 -1.737 -3.829 2.997 1.00 10.00 C ATOM 820 O TYR A 50 -0.917 -4.185 2.161 1.00 10.00 O ATOM 821 CB TYR A 50 -1.855 -5.324 4.961 1.00 10.00 C ATOM 822 CG TYR A 50 -1.308 -5.720 6.307 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.001 -6.157 6.437 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.118 -5.718 7.431 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.487 -6.593 7.645 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.632 -6.135 8.656 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.327 -6.579 8.752 1.00 10.00 C ATOM 828 OH TYR A 50 0.156 -7.058 9.946 1.00 10.00 O ATOM 0 H TYR A 50 -2.972 -3.198 5.667 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.362 -3.853 4.647 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.944 -5.357 5.004 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.543 -6.066 4.226 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.647 -6.155 5.573 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.143 -5.386 7.349 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.505 -6.945 7.724 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.266 -6.114 9.530 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.537 -6.980 10.634 1.00 10.00 H new ATOM 838 N SER A 51 -2.925 -3.325 2.673 1.00 10.00 N ATOM 839 CA SER A 51 -3.290 -3.159 1.280 1.00 10.00 C ATOM 840 C SER A 51 -2.516 -1.991 0.680 1.00 10.00 C ATOM 841 O SER A 51 -1.848 -1.247 1.400 1.00 10.00 O ATOM 842 CB SER A 51 -4.796 -2.987 1.093 1.00 10.00 C ATOM 843 OG SER A 51 -5.343 -2.066 2.002 1.00 10.00 O ATOM 0 H SER A 51 -3.634 -3.032 3.345 1.00 10.00 H new ATOM 0 HA SER A 51 -3.020 -4.072 0.749 1.00 10.00 H new ATOM 0 HB2 SER A 51 -4.998 -2.654 0.075 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.288 -3.952 1.216 1.00 10.00 H new ATOM 0 HG SER A 51 -5.098 -2.323 2.915 1.00 10.00 H new ATOM 849 N SER A 52 -2.615 -1.819 -0.621 1.00 10.00 N ATOM 850 CA SER A 52 -1.872 -0.782 -1.290 1.00 10.00 C ATOM 851 C SER A 52 -2.771 0.383 -1.748 1.00 10.00 C ATOM 852 O SER A 52 -3.946 0.197 -2.071 1.00 10.00 O ATOM 853 CB SER A 52 -1.117 -1.432 -2.446 1.00 10.00 C ATOM 854 OG SER A 52 -1.791 -2.619 -2.893 1.00 10.00 O ATOM 0 H SER A 52 -3.203 -2.385 -1.233 1.00 10.00 H new ATOM 0 HA SER A 52 -1.164 -0.325 -0.599 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.029 -0.726 -3.272 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.104 -1.681 -2.130 1.00 10.00 H new ATOM 0 HG SER A 52 -1.292 -3.019 -3.635 1.00 10.00 H new ATOM 860 N ILE A 53 -2.195 1.586 -1.749 1.00 10.00 N ATOM 861 CA ILE A 53 -2.895 2.814 -2.110 1.00 10.00 C ATOM 862 C ILE A 53 -2.256 3.405 -3.375 1.00 10.00 C ATOM 863 O ILE A 53 -1.141 3.038 -3.710 1.00 10.00 O ATOM 864 CB ILE A 53 -2.838 3.840 -0.933 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.473 3.261 0.337 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.529 5.143 -1.293 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.592 2.271 1.080 1.00 10.00 C ATOM 0 H ILE A 53 -1.218 1.734 -1.496 1.00 10.00 H new ATOM 0 HA ILE A 53 -3.943 2.589 -2.309 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.784 4.045 -0.744 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.725 4.081 1.009 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.408 2.768 0.070 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.469 5.832 -0.450 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.040 5.587 -2.160 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.575 4.947 -1.528 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.116 1.910 1.965 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.360 1.429 0.427 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.667 2.762 1.382 1.00 10.00 H new ATOM 879 N CYS A 54 -2.926 4.327 -4.065 1.00 10.00 N ATOM 880 CA CYS A 54 -2.376 4.883 -5.296 1.00 10.00 C ATOM 881 C CYS A 54 -2.050 6.392 -5.180 1.00 10.00 C ATOM 882 O CYS A 54 -2.565 7.094 -4.310 1.00 10.00 O ATOM 883 CB CYS A 54 -3.311 4.575 -6.461 1.00 10.00 C ATOM 884 SG CYS A 54 -4.851 5.487 -6.428 1.00 10.00 S ATOM 0 H CYS A 54 -3.837 4.699 -3.796 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.417 4.401 -5.487 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.793 4.793 -7.395 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.534 3.508 -6.461 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.793 4.731 -5.948 1.00 10.00 H new ATOM 889 N SER A 55 -1.172 6.847 -6.086 1.00 10.00 N ATOM 890 CA SER A 55 -0.618 8.216 -6.132 1.00 10.00 C ATOM 891 C SER A 55 -1.624 9.368 -5.997 1.00 10.00 C ATOM 892 O SER A 55 -1.463 10.220 -5.125 1.00 10.00 O ATOM 893 CB SER A 55 0.159 8.370 -7.440 1.00 10.00 C ATOM 894 OG SER A 55 -0.610 7.913 -8.537 1.00 10.00 O ATOM 0 H SER A 55 -0.813 6.254 -6.835 1.00 10.00 H new ATOM 0 HA SER A 55 0.010 8.307 -5.246 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.427 9.416 -7.588 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.091 7.807 -7.383 1.00 10.00 H new ATOM 0 HG SER A 55 -0.935 8.681 -9.052 1.00 10.00 H new ATOM 900 N GLU A 56 -2.618 9.395 -6.876 1.00 10.00 N ATOM 901 CA GLU A 56 -3.658 10.443 -6.930 1.00 10.00 C ATOM 902 C GLU A 56 -4.219 10.880 -5.570 1.00 10.00 C ATOM 903 O GLU A 56 -4.814 11.948 -5.462 1.00 10.00 O ATOM 904 CB GLU A 56 -4.811 9.940 -7.796 1.00 10.00 C ATOM 905 CG GLU A 56 -4.942 8.430 -7.744 1.00 10.00 C ATOM 906 CD GLU A 56 -6.367 7.934 -7.869 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.039 8.265 -8.858 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.813 7.171 -6.972 1.00 10.00 O ATOM 0 H GLU A 56 -2.736 8.678 -7.592 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.171 11.325 -7.346 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.742 10.397 -7.461 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.654 10.255 -8.828 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.345 7.995 -8.545 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.524 8.071 -6.804 1.00 10.00 H new ATOM 915 N HIS A 57 -4.033 10.077 -4.544 1.00 10.00 N ATOM 916 CA HIS A 57 -4.575 10.400 -3.227 1.00 10.00 C ATOM 917 C HIS A 57 -3.686 11.337 -2.412 1.00 10.00 C ATOM 918 O HIS A 57 -4.163 11.954 -1.459 1.00 10.00 O ATOM 919 CB HIS A 57 -4.850 9.115 -2.459 1.00 10.00 C ATOM 920 CG HIS A 57 -5.881 8.271 -3.131 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.170 8.691 -3.368 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.782 7.031 -3.670 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.802 7.717 -4.030 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.001 6.682 -4.243 1.00 10.00 N ATOM 0 H HIS A 57 -3.515 9.199 -4.588 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.505 10.944 -3.391 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.925 8.547 -2.360 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.183 9.360 -1.450 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.897 6.412 -3.657 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.832 7.767 -4.350 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.230 5.813 -4.725 1.00 10.00 H new ATOM 932 N PHE A 58 -2.418 11.474 -2.773 1.00 10.00 N ATOM 933 CA PHE A 58 -1.535 12.359 -2.029 1.00 10.00 C ATOM 934 C PHE A 58 -0.789 13.271 -2.968 1.00 10.00 C ATOM 935 O PHE A 58 -0.838 13.112 -4.190 1.00 10.00 O ATOM 936 CB PHE A 58 -0.516 11.590 -1.170 1.00 10.00 C ATOM 937 CG PHE A 58 -0.582 10.108 -1.312 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.100 9.492 -2.334 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.314 9.334 -0.428 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.060 8.133 -2.483 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.359 7.964 -0.572 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.671 7.361 -1.602 1.00 10.00 C ATOM 0 H PHE A 58 -1.984 10.994 -3.561 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.172 12.941 -1.362 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.488 11.923 -1.434 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.673 11.849 -0.123 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.674 10.088 -3.028 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.853 9.807 0.380 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.601 7.663 -3.291 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.932 7.365 0.120 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.703 6.288 -1.720 1.00 10.00 H new ATOM 952 N THR A 59 -0.113 14.232 -2.386 1.00 10.00 N ATOM 953 CA THR A 59 0.674 15.172 -3.137 1.00 10.00 C ATOM 954 C THR A 59 2.004 14.552 -3.488 1.00 10.00 C ATOM 955 O THR A 59 2.540 13.758 -2.720 1.00 10.00 O ATOM 956 CB THR A 59 0.893 16.447 -2.316 1.00 10.00 C ATOM 957 OG1 THR A 59 0.935 16.116 -0.920 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.227 17.433 -2.576 1.00 10.00 C ATOM 0 H THR A 59 -0.095 14.382 -1.377 1.00 10.00 H new ATOM 0 HA THR A 59 0.144 15.430 -4.054 1.00 10.00 H new ATOM 0 HB THR A 59 1.838 16.903 -2.610 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.077 16.931 -0.395 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.061 18.335 -1.987 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.248 17.689 -3.635 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.179 16.985 -2.293 1.00 10.00 H new ATOM 966 N PRO A 60 2.530 14.876 -4.668 1.00 10.00 N ATOM 967 CA PRO A 60 3.825 14.382 -5.136 1.00 10.00 C ATOM 968 C PRO A 60 4.895 14.520 -4.065 1.00 10.00 C ATOM 969 O PRO A 60 5.778 13.674 -3.924 1.00 10.00 O ATOM 970 CB PRO A 60 4.141 15.304 -6.323 1.00 10.00 C ATOM 971 CG PRO A 60 3.088 16.367 -6.305 1.00 10.00 C ATOM 972 CD PRO A 60 1.900 15.736 -5.669 1.00 10.00 C ATOM 0 HA PRO A 60 3.800 13.323 -5.395 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.136 15.738 -6.227 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.123 14.752 -7.263 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.419 17.239 -5.740 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.858 16.709 -7.314 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.236 16.473 -5.218 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.306 15.167 -6.384 1.00 10.00 H new ATOM 980 N ASP A 61 4.786 15.594 -3.308 1.00 10.00 N ATOM 981 CA ASP A 61 5.712 15.876 -2.217 1.00 10.00 C ATOM 982 C ASP A 61 5.714 14.733 -1.215 1.00 10.00 C ATOM 983 O ASP A 61 6.764 14.288 -0.756 1.00 10.00 O ATOM 984 CB ASP A 61 5.305 17.156 -1.484 1.00 10.00 C ATOM 985 CG ASP A 61 5.054 18.326 -2.420 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.182 18.216 -3.311 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.726 19.366 -2.266 1.00 10.00 O ATOM 0 H ASP A 61 4.057 16.297 -3.427 1.00 10.00 H new ATOM 0 HA ASP A 61 6.706 15.996 -2.648 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.403 16.963 -0.903 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.088 17.427 -0.776 1.00 10.00 H new ATOM 992 N SER A 62 4.519 14.257 -0.900 1.00 10.00 N ATOM 993 CA SER A 62 4.335 13.189 0.066 1.00 10.00 C ATOM 994 C SER A 62 4.297 11.815 -0.589 1.00 10.00 C ATOM 995 O SER A 62 4.130 10.822 0.098 1.00 10.00 O ATOM 996 CB SER A 62 3.027 13.404 0.815 1.00 10.00 C ATOM 997 OG SER A 62 3.161 13.043 2.180 1.00 10.00 O ATOM 0 H SER A 62 3.650 14.602 -1.308 1.00 10.00 H new ATOM 0 HA SER A 62 5.187 13.218 0.745 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.727 14.449 0.739 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.237 12.811 0.354 1.00 10.00 H new ATOM 0 HG SER A 62 2.311 12.683 2.508 1.00 10.00 H new ATOM 1003 N PHE A 63 4.439 11.777 -1.906 1.00 10.00 N ATOM 1004 CA PHE A 63 4.361 10.521 -2.676 1.00 10.00 C ATOM 1005 C PHE A 63 4.981 9.297 -1.990 1.00 10.00 C ATOM 1006 O PHE A 63 4.300 8.285 -1.824 1.00 10.00 O ATOM 1007 CB PHE A 63 4.988 10.647 -4.063 1.00 10.00 C ATOM 1008 CG PHE A 63 4.017 10.951 -5.181 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.658 10.685 -5.057 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.476 11.500 -6.367 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.785 10.966 -6.086 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.603 11.783 -7.402 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.256 11.517 -7.260 1.00 10.00 C ATOM 0 H PHE A 63 4.611 12.604 -2.478 1.00 10.00 H new ATOM 0 HA PHE A 63 3.287 10.353 -2.752 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.742 11.434 -4.034 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.507 9.717 -4.296 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.281 10.252 -4.142 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.529 11.710 -6.485 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.732 10.755 -5.973 1.00 10.00 H new ATOM 0 HE2 PHE A 63 3.975 12.212 -8.321 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.572 11.740 -8.066 1.00 10.00 H new ATOM 1023 N LYS A 64 6.257 9.373 -1.595 1.00 10.00 N ATOM 1024 CA LYS A 64 6.922 8.210 -0.986 1.00 10.00 C ATOM 1025 C LYS A 64 8.333 8.533 -0.490 1.00 10.00 C ATOM 1026 O LYS A 64 8.571 9.593 0.076 1.00 10.00 O ATOM 1027 CB LYS A 64 6.994 7.069 -2.009 1.00 10.00 C ATOM 1028 CG LYS A 64 7.730 7.442 -3.292 1.00 10.00 C ATOM 1029 CD LYS A 64 7.905 6.243 -4.207 1.00 10.00 C ATOM 1030 CE LYS A 64 6.602 5.876 -4.892 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.605 4.466 -5.366 1.00 10.00 N ATOM 0 H LYS A 64 6.840 10.205 -1.682 1.00 10.00 H new ATOM 0 HA LYS A 64 6.330 7.915 -0.120 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.490 6.213 -1.551 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.981 6.753 -2.260 1.00 10.00 H new ATOM 0 HG2 LYS A 64 7.177 8.222 -3.815 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.707 7.856 -3.044 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.663 6.464 -4.958 1.00 10.00 H new ATOM 0 HD3 LYS A 64 8.267 5.392 -3.630 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.773 6.025 -4.200 1.00 10.00 H new ATOM 0 HE3 LYS A 64 6.435 6.543 -5.738 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 5.698 4.253 -5.828 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.380 4.330 -6.046 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.739 3.828 -4.556 1.00 10.00 H new ATOM 1045 N ARG A 65 9.265 7.596 -0.723 1.00 10.00 N ATOM 1046 CA ARG A 65 10.663 7.745 -0.311 1.00 10.00 C ATOM 1047 C ARG A 65 11.332 8.948 -0.981 1.00 10.00 C ATOM 1048 O ARG A 65 12.421 9.364 -0.583 1.00 10.00 O ATOM 1049 CB ARG A 65 11.456 6.451 -0.586 1.00 10.00 C ATOM 1050 CG ARG A 65 11.129 5.768 -1.909 1.00 10.00 C ATOM 1051 CD ARG A 65 11.340 4.255 -1.830 1.00 10.00 C ATOM 1052 NE ARG A 65 12.711 3.860 -2.164 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.280 2.707 -1.775 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.591 1.825 -1.040 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.535 2.434 -2.129 1.00 10.00 N ATOM 0 H ARG A 65 9.068 6.717 -1.201 1.00 10.00 H new ATOM 0 HA ARG A 65 10.667 7.930 0.763 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.521 6.683 -0.567 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.269 5.748 0.225 1.00 10.00 H new ATOM 0 HG2 ARG A 65 10.095 5.978 -2.181 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.757 6.183 -2.698 1.00 10.00 H new ATOM 0 HD2 ARG A 65 11.101 3.910 -0.824 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.647 3.759 -2.510 1.00 10.00 H new ATOM 0 HE ARG A 65 13.269 4.501 -2.728 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.628 2.027 -0.772 1.00 10.00 H new ATOM 0 HH12 ARG A 65 13.029 0.951 -0.748 1.00 10.00 H new ATOM 0 HH21 ARG A 65 15.062 3.100 -2.694 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.969 1.559 -1.835 1.00 10.00 H new ATOM 1069 N GLU A 66 10.661 9.521 -1.974 1.00 10.00 N ATOM 1070 CA GLU A 66 11.170 10.693 -2.684 1.00 10.00 C ATOM 1071 C GLU A 66 10.791 11.969 -1.932 1.00 10.00 C ATOM 1072 O GLU A 66 10.979 13.077 -2.438 1.00 10.00 O ATOM 1073 CB GLU A 66 10.642 10.753 -4.133 1.00 10.00 C ATOM 1074 CG GLU A 66 11.189 9.664 -5.034 1.00 10.00 C ATOM 1075 CD GLU A 66 10.652 9.771 -6.445 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.910 10.800 -7.108 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.958 8.836 -6.895 1.00 10.00 O ATOM 0 H GLU A 66 9.756 9.191 -2.309 1.00 10.00 H new ATOM 0 HA GLU A 66 12.256 10.610 -2.729 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.554 10.684 -4.116 1.00 10.00 H new ATOM 0 HB3 GLU A 66 10.893 11.724 -4.560 1.00 10.00 H new ATOM 0 HG2 GLU A 66 12.277 9.724 -5.055 1.00 10.00 H new ATOM 0 HG3 GLU A 66 10.931 8.689 -4.621 1.00 10.00 H new ATOM 1084 N SER A 67 10.219 11.795 -0.739 1.00 10.00 N ATOM 1085 CA SER A 67 9.786 12.912 0.093 1.00 10.00 C ATOM 1086 C SER A 67 10.982 13.682 0.695 1.00 10.00 C ATOM 1087 O SER A 67 11.783 14.272 -0.034 1.00 10.00 O ATOM 1088 CB SER A 67 8.848 12.359 1.179 1.00 10.00 C ATOM 1089 OG SER A 67 8.534 13.308 2.179 1.00 10.00 O ATOM 0 H SER A 67 10.045 10.879 -0.326 1.00 10.00 H new ATOM 0 HA SER A 67 9.251 13.640 -0.517 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.926 12.014 0.712 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.314 11.491 1.645 1.00 10.00 H new ATOM 0 HG SER A 67 8.567 12.879 3.059 1.00 10.00 H new ATOM 1095 N ASN A 68 11.105 13.671 2.018 1.00 10.00 N ATOM 1096 CA ASN A 68 12.182 14.385 2.694 1.00 10.00 C ATOM 1097 C ASN A 68 13.328 13.455 3.079 1.00 10.00 C ATOM 1098 O ASN A 68 14.368 13.441 2.420 1.00 10.00 O ATOM 1099 CB ASN A 68 11.651 15.106 3.941 1.00 10.00 C ATOM 1100 CG ASN A 68 11.274 16.547 3.669 1.00 10.00 C ATOM 1101 OD1 ASN A 68 10.819 16.888 2.576 1.00 10.00 O ATOM 1102 ND2 ASN A 68 11.453 17.401 4.664 1.00 10.00 N ATOM 0 H ASN A 68 10.471 13.175 2.644 1.00 10.00 H new ATOM 0 HA ASN A 68 12.571 15.121 1.991 1.00 10.00 H new ATOM 0 HB2 ASN A 68 10.779 14.572 4.320 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.409 15.075 4.724 1.00 10.00 H new ATOM 0 HD21 ASN A 68 11.211 18.384 4.542 1.00 10.00 H new ATOM 0 HD22 ASN A 68 11.833 17.076 5.553 1.00 10.00 H new ATOM 1109 N ASN A 69 13.133 12.668 4.130 1.00 10.00 N ATOM 1110 CA ASN A 69 14.178 11.763 4.593 1.00 10.00 C ATOM 1111 C ASN A 69 14.142 10.449 3.824 1.00 10.00 C ATOM 1112 O ASN A 69 15.014 10.180 2.997 1.00 10.00 O ATOM 1113 CB ASN A 69 14.030 11.496 6.096 1.00 10.00 C ATOM 1114 CG ASN A 69 15.044 10.493 6.618 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.224 10.545 6.274 1.00 10.00 O ATOM 1116 ND2 ASN A 69 14.585 9.567 7.447 1.00 10.00 N ATOM 0 H ASN A 69 12.270 12.637 4.673 1.00 10.00 H new ATOM 0 HA ASN A 69 15.140 12.242 4.412 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.141 12.434 6.640 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.024 11.127 6.298 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.218 8.862 7.825 1.00 10.00 H new ATOM 0 HD22 ASN A 69 13.599 9.559 7.707 1.00 10.00 H new ATOM 1123 N LYS A 70 13.134 9.631 4.091 1.00 10.00 N ATOM 1124 CA LYS A 70 13.015 8.351 3.407 1.00 10.00 C ATOM 1125 C LYS A 70 11.552 7.958 3.203 1.00 10.00 C ATOM 1126 O LYS A 70 11.262 6.982 2.518 1.00 10.00 O ATOM 1127 CB LYS A 70 13.777 7.259 4.178 1.00 10.00 C ATOM 1128 CG LYS A 70 14.192 6.062 3.322 1.00 10.00 C ATOM 1129 CD LYS A 70 15.046 6.466 2.122 1.00 10.00 C ATOM 1130 CE LYS A 70 16.399 7.032 2.542 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.209 7.473 1.375 1.00 10.00 N ATOM 0 H LYS A 70 12.396 9.827 4.767 1.00 10.00 H new ATOM 0 HA LYS A 70 13.464 8.455 2.419 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.669 7.700 4.624 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.152 6.906 4.998 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.748 5.355 3.938 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.299 5.545 2.970 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.200 5.599 1.480 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.511 7.209 1.531 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.245 7.875 3.215 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.950 6.275 3.100 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.119 7.850 1.707 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.379 6.664 0.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 16.696 8.214 0.856 1.00 10.00 H new ATOM 1145 N LEU A 71 10.633 8.716 3.791 1.00 10.00 N ATOM 1146 CA LEU A 71 9.209 8.432 3.649 1.00 10.00 C ATOM 1147 C LEU A 71 8.410 9.728 3.544 1.00 10.00 C ATOM 1148 O LEU A 71 8.984 10.818 3.585 1.00 10.00 O ATOM 1149 CB LEU A 71 8.696 7.589 4.822 1.00 10.00 C ATOM 1150 CG LEU A 71 8.074 6.229 4.456 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.754 6.048 5.180 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.868 6.085 2.955 1.00 10.00 C ATOM 0 H LEU A 71 10.847 9.529 4.369 1.00 10.00 H new ATOM 0 HA LEU A 71 9.073 7.861 2.731 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.525 7.414 5.508 1.00 10.00 H new ATOM 0 HB3 LEU A 71 7.952 8.172 5.364 1.00 10.00 H new ATOM 0 HG LEU A 71 8.772 5.453 4.770 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.323 5.083 4.914 1.00 10.00 H new ATOM 0 HD12 LEU A 71 6.921 6.087 6.256 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.068 6.844 4.891 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.427 5.112 2.740 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.201 6.871 2.602 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.828 6.169 2.446 1.00 10.00 H new ATOM 1164 N LEU A 72 7.086 9.595 3.435 1.00 10.00 N ATOM 1165 CA LEU A 72 6.186 10.742 3.296 1.00 10.00 C ATOM 1166 C LEU A 72 6.288 11.704 4.470 1.00 10.00 C ATOM 1167 O LEU A 72 6.821 11.370 5.532 1.00 10.00 O ATOM 1168 CB LEU A 72 4.722 10.303 3.192 1.00 10.00 C ATOM 1169 CG LEU A 72 4.476 8.823 2.882 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.128 8.067 4.144 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.355 8.667 1.872 1.00 10.00 C ATOM 0 H LEU A 72 6.609 8.693 3.441 1.00 10.00 H new ATOM 0 HA LEU A 72 6.500 11.243 2.380 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.226 10.542 4.133 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.241 10.899 2.417 1.00 10.00 H new ATOM 0 HG LEU A 72 5.393 8.411 2.461 1.00 10.00 H new ATOM 0 HD11 LEU A 72 3.957 7.018 3.904 1.00 10.00 H new ATOM 0 HD12 LEU A 72 4.951 8.147 4.855 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.225 8.490 4.585 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.196 7.609 1.665 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.439 9.100 2.275 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.623 9.181 0.949 1.00 10.00 H new ATOM 1183 N LYS A 73 5.748 12.897 4.268 1.00 10.00 N ATOM 1184 CA LYS A 73 5.741 13.909 5.305 1.00 10.00 C ATOM 1185 C LYS A 73 4.642 13.586 6.298 1.00 10.00 C ATOM 1186 O LYS A 73 3.482 13.437 5.928 1.00 10.00 O ATOM 1187 CB LYS A 73 5.556 15.338 4.760 1.00 10.00 C ATOM 1188 CG LYS A 73 5.092 15.452 3.310 1.00 10.00 C ATOM 1189 CD LYS A 73 6.205 15.183 2.303 1.00 10.00 C ATOM 1190 CE LYS A 73 7.399 16.111 2.479 1.00 10.00 C ATOM 1191 NZ LYS A 73 7.121 17.496 2.018 1.00 10.00 N ATOM 0 H LYS A 73 5.309 13.185 3.393 1.00 10.00 H new ATOM 0 HA LYS A 73 6.718 13.890 5.787 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.834 15.855 5.392 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.503 15.868 4.859 1.00 10.00 H new ATOM 0 HG2 LYS A 73 4.278 14.748 3.139 1.00 10.00 H new ATOM 0 HG3 LYS A 73 4.691 16.451 3.141 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.537 14.149 2.403 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.810 15.295 1.293 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.685 16.133 3.531 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.249 15.712 1.926 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.956 17.872 1.525 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 6.309 17.489 1.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 6.904 18.098 2.838 1.00 10.00 H new ATOM 1205 N GLU A 74 5.034 13.430 7.547 1.00 10.00 N ATOM 1206 CA GLU A 74 4.107 13.115 8.636 1.00 10.00 C ATOM 1207 C GLU A 74 2.976 14.133 8.738 1.00 10.00 C ATOM 1208 O GLU A 74 1.945 13.875 9.356 1.00 10.00 O ATOM 1209 CB GLU A 74 4.851 13.055 9.961 1.00 10.00 C ATOM 1210 CG GLU A 74 5.538 14.352 10.333 1.00 10.00 C ATOM 1211 CD GLU A 74 7.017 14.323 10.018 1.00 10.00 C ATOM 1212 OE1 GLU A 74 7.374 14.340 8.820 1.00 10.00 O ATOM 1213 OE2 GLU A 74 7.825 14.264 10.963 1.00 10.00 O ATOM 0 H GLU A 74 6.006 13.517 7.845 1.00 10.00 H new ATOM 0 HA GLU A 74 3.668 12.143 8.412 1.00 10.00 H new ATOM 0 HB2 GLU A 74 4.148 12.787 10.750 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.596 12.260 9.914 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.070 15.177 9.796 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.398 14.544 11.397 1.00 10.00 H new ATOM 1220 N ASN A 75 3.196 15.299 8.164 1.00 10.00 N ATOM 1221 CA ASN A 75 2.196 16.360 8.168 1.00 10.00 C ATOM 1222 C ASN A 75 1.300 16.275 6.943 1.00 10.00 C ATOM 1223 O ASN A 75 0.481 17.161 6.692 1.00 10.00 O ATOM 1224 CB ASN A 75 2.869 17.725 8.198 1.00 10.00 C ATOM 1225 CG ASN A 75 3.044 18.257 9.602 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.939 19.460 9.841 1.00 10.00 O ATOM 1227 ND2 ASN A 75 3.317 17.366 10.541 1.00 10.00 N ATOM 0 H ASN A 75 4.063 15.541 7.685 1.00 10.00 H new ATOM 0 HA ASN A 75 1.586 16.232 9.062 1.00 10.00 H new ATOM 0 HB2 ASN A 75 3.844 17.656 7.716 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.276 18.431 7.617 1.00 10.00 H new ATOM 0 HD21 ASN A 75 3.449 17.667 11.507 1.00 10.00 H new ATOM 0 HD22 ASN A 75 3.395 16.378 10.299 1.00 10.00 H new ATOM 1234 N ALA A 76 1.464 15.212 6.181 1.00 10.00 N ATOM 1235 CA ALA A 76 0.678 15.023 4.971 1.00 10.00 C ATOM 1236 C ALA A 76 -0.084 13.703 4.971 1.00 10.00 C ATOM 1237 O ALA A 76 0.490 12.628 5.150 1.00 10.00 O ATOM 1238 CB ALA A 76 1.573 15.117 3.737 1.00 10.00 C ATOM 0 H ALA A 76 2.132 14.466 6.375 1.00 10.00 H new ATOM 0 HA ALA A 76 -0.063 15.822 4.943 1.00 10.00 H new ATOM 0 HB1 ALA A 76 0.971 14.974 2.839 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.046 16.099 3.704 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.342 14.346 3.785 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.384 13.810 4.748 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.265 12.659 4.693 1.00 10.00 C ATOM 1246 C VAL A 77 -3.196 12.804 3.483 1.00 10.00 C ATOM 1247 O VAL A 77 -3.696 13.896 3.208 1.00 10.00 O ATOM 1248 CB VAL A 77 -3.062 12.486 6.016 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.503 13.818 6.598 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.266 11.573 5.831 1.00 10.00 C ATOM 0 H VAL A 77 -1.857 14.701 4.600 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.668 11.754 4.576 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.378 12.019 6.725 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -4.056 13.646 7.521 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.627 14.431 6.808 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -4.143 14.334 5.882 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.798 11.476 6.777 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.933 11.998 5.081 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.930 10.590 5.502 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.382 11.714 2.720 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.218 11.675 1.511 1.00 10.00 C ATOM 1262 C PRO A 78 -5.603 12.295 1.693 1.00 10.00 C ATOM 1263 O PRO A 78 -6.515 11.675 2.237 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.344 10.174 1.205 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.781 9.469 2.385 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.784 10.411 2.981 1.00 10.00 C ATOM 0 HA PRO A 78 -3.766 12.262 0.711 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.385 9.894 1.043 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.799 9.913 0.298 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.563 9.221 3.103 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.308 8.532 2.092 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.647 10.234 4.048 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.804 10.314 2.513 1.00 10.00 H new ATOM 1274 N THR A 79 -5.746 13.523 1.220 1.00 10.00 N ATOM 1275 CA THR A 79 -7.006 14.242 1.310 1.00 10.00 C ATOM 1276 C THR A 79 -7.693 14.256 -0.056 1.00 10.00 C ATOM 1277 O THR A 79 -8.884 14.538 -0.169 1.00 10.00 O ATOM 1278 CB THR A 79 -6.791 15.689 1.825 1.00 10.00 C ATOM 1279 OG1 THR A 79 -8.000 16.199 2.402 1.00 10.00 O ATOM 1280 CG2 THR A 79 -6.331 16.617 0.712 1.00 10.00 C ATOM 0 H THR A 79 -4.997 14.046 0.766 1.00 10.00 H new ATOM 0 HA THR A 79 -7.646 13.727 2.027 1.00 10.00 H new ATOM 0 HB THR A 79 -6.011 15.651 2.585 1.00 10.00 H new ATOM 0 HG1 THR A 79 -7.849 17.112 2.724 1.00 10.00 H new ATOM 0 HG21 THR A 79 -6.191 17.622 1.111 1.00 10.00 H new ATOM 0 HG22 THR A 79 -5.388 16.254 0.302 1.00 10.00 H new ATOM 0 HG23 THR A 79 -7.084 16.641 -0.076 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.922 13.912 -1.085 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.407 13.887 -2.467 1.00 10.00 C ATOM 1290 C ILE A 80 -8.334 12.686 -2.716 1.00 10.00 C ATOM 1291 O ILE A 80 -8.716 12.417 -3.855 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.240 13.839 -3.485 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.996 14.577 -2.951 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.677 14.424 -4.825 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.852 16.009 -3.435 1.00 10.00 C ATOM 0 H ILE A 80 -5.943 13.642 -0.987 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.967 14.811 -2.612 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.968 12.794 -3.632 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -5.030 14.578 -1.862 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.106 14.018 -3.241 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.846 14.383 -5.529 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.514 13.847 -5.218 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.984 15.461 -4.687 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.950 16.448 -3.009 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.782 16.020 -4.523 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.721 16.588 -3.121 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.647 11.948 -1.645 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.515 10.768 -1.719 1.00 10.00 C ATOM 1309 C PHE A 81 -10.761 11.008 -2.562 1.00 10.00 C ATOM 1310 O PHE A 81 -10.954 10.341 -3.576 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.947 10.324 -0.320 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.946 9.456 0.402 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.757 9.067 -0.199 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.208 9.018 1.691 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.855 8.263 0.471 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.307 8.214 2.364 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.129 7.837 1.753 1.00 10.00 C ATOM 0 H PHE A 81 -8.307 12.151 -0.705 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.924 9.987 -2.197 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -10.142 11.210 0.284 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.888 9.780 -0.400 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.534 9.397 -1.203 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -10.128 9.309 2.176 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.934 7.968 -0.010 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.525 7.881 3.368 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.423 7.210 2.278 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.594 11.956 -2.141 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.830 12.267 -2.848 1.00 10.00 C ATOM 1329 C LEU A 82 -13.411 13.567 -2.311 1.00 10.00 C ATOM 1330 O LEU A 82 -13.014 14.030 -1.244 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.849 11.132 -2.661 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.350 10.421 -3.936 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.839 10.673 -4.137 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.568 10.851 -5.178 1.00 10.00 C ATOM 0 H LEU A 82 -11.433 12.524 -1.309 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.612 12.375 -3.910 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.404 10.382 -2.008 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.715 11.537 -2.137 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.183 9.353 -3.797 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.175 10.164 -5.040 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.392 10.291 -3.279 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -16.017 11.744 -4.236 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.955 10.326 -6.051 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.678 11.926 -5.323 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.514 10.609 -5.046 1.00 10.00 H new