USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 388 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 52 THR OG1 : rot 180:sc= -1.27! USER MOD Set 1.2: A 56 LYS NZ :NH3+ -146:sc= -0.865! (180deg=-0.0317) USER MOD Single : A 9 ASN : amide:sc= -0.969 X(o=-0.97,f=-1.2) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.31) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -100:sc= -1.08 USER MOD Single : A 27 SER OG : rot 180:sc= -1.37! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 20:sc= 1.09 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.706 F(o=-2.8!,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 30.890 -7.222 -39.779 1.00 1.00 N ATOM 58 CA GLY A 5 30.114 -8.383 -40.200 1.00 1.00 C ATOM 59 C GLY A 5 29.522 -9.108 -38.997 1.00 1.00 C ATOM 60 O GLY A 5 29.648 -8.651 -37.861 1.00 1.00 O ATOM 0 HA2 GLY A 5 29.314 -8.067 -40.869 1.00 1.00 H new ATOM 0 HA3 GLY A 5 30.750 -9.065 -40.764 1.00 1.00 H new ATOM 64 N ASP A 6 28.875 -10.240 -39.254 1.00 1.00 N ATOM 65 CA ASP A 6 28.266 -11.020 -38.183 1.00 1.00 C ATOM 66 C ASP A 6 29.313 -11.418 -37.148 1.00 1.00 C ATOM 67 O ASP A 6 30.474 -11.020 -37.241 1.00 1.00 O ATOM 68 CB ASP A 6 27.612 -12.277 -38.759 1.00 1.00 C ATOM 69 CG ASP A 6 26.144 -12.336 -38.349 1.00 1.00 C ATOM 70 OD1 ASP A 6 25.883 -12.354 -37.157 1.00 1.00 O ATOM 71 OD2 ASP A 6 25.303 -12.362 -39.232 1.00 1.00 O ATOM 0 H ASP A 6 28.759 -10.635 -40.187 1.00 1.00 H new ATOM 0 HA ASP A 6 27.507 -10.406 -37.698 1.00 1.00 H new ATOM 0 HB2 ASP A 6 27.695 -12.274 -39.846 1.00 1.00 H new ATOM 0 HB3 ASP A 6 28.134 -13.165 -38.402 1.00 1.00 H new ATOM 76 N PHE A 7 28.894 -12.207 -36.161 1.00 1.00 N ATOM 77 CA PHE A 7 29.798 -12.662 -35.104 1.00 1.00 C ATOM 78 C PHE A 7 30.344 -11.479 -34.301 1.00 1.00 C ATOM 79 O PHE A 7 31.005 -11.665 -33.278 1.00 1.00 O ATOM 80 CB PHE A 7 30.958 -13.472 -35.703 1.00 1.00 C ATOM 81 CG PHE A 7 32.266 -13.019 -35.100 1.00 1.00 C ATOM 82 CD1 PHE A 7 32.716 -13.586 -33.902 1.00 1.00 C ATOM 83 CD2 PHE A 7 33.029 -12.034 -35.738 1.00 1.00 C ATOM 84 CE1 PHE A 7 33.929 -13.168 -33.342 1.00 1.00 C ATOM 85 CE2 PHE A 7 34.242 -11.615 -35.178 1.00 1.00 C ATOM 86 CZ PHE A 7 34.692 -12.182 -33.980 1.00 1.00 C ATOM 0 H PHE A 7 27.936 -12.545 -36.070 1.00 1.00 H new ATOM 0 HA PHE A 7 29.230 -13.302 -34.429 1.00 1.00 H new ATOM 0 HB2 PHE A 7 30.808 -14.535 -35.512 1.00 1.00 H new ATOM 0 HB3 PHE A 7 30.982 -13.343 -36.785 1.00 1.00 H new ATOM 0 HD1 PHE A 7 32.127 -14.346 -33.410 1.00 1.00 H new ATOM 0 HD2 PHE A 7 32.682 -11.597 -36.663 1.00 1.00 H new ATOM 0 HE1 PHE A 7 34.276 -13.606 -32.418 1.00 1.00 H new ATOM 0 HE2 PHE A 7 34.830 -10.855 -35.670 1.00 1.00 H new ATOM 0 HZ PHE A 7 35.628 -11.859 -33.548 1.00 1.00 H new ATOM 96 N ASP A 8 30.057 -10.265 -34.760 1.00 1.00 N ATOM 97 CA ASP A 8 30.523 -9.068 -34.068 1.00 1.00 C ATOM 98 C ASP A 8 30.292 -9.193 -32.566 1.00 1.00 C ATOM 99 O ASP A 8 29.189 -8.951 -32.076 1.00 1.00 O ATOM 100 CB ASP A 8 29.787 -7.838 -34.600 1.00 1.00 C ATOM 101 CG ASP A 8 29.931 -6.678 -33.621 1.00 1.00 C ATOM 102 OD1 ASP A 8 30.961 -6.026 -33.653 1.00 1.00 O ATOM 103 OD2 ASP A 8 29.007 -6.458 -32.855 1.00 1.00 O ATOM 0 H ASP A 8 29.509 -10.084 -35.601 1.00 1.00 H new ATOM 0 HA ASP A 8 31.592 -8.958 -34.251 1.00 1.00 H new ATOM 0 HB2 ASP A 8 30.190 -7.556 -35.573 1.00 1.00 H new ATOM 0 HB3 ASP A 8 28.732 -8.071 -34.748 1.00 1.00 H new ATOM 108 N ASN A 9 31.339 -9.571 -31.841 1.00 1.00 N ATOM 109 CA ASN A 9 31.239 -9.724 -30.394 1.00 1.00 C ATOM 110 C ASN A 9 31.803 -8.496 -29.686 1.00 1.00 C ATOM 111 O ASN A 9 32.276 -8.584 -28.553 1.00 1.00 O ATOM 112 CB ASN A 9 32.004 -10.970 -29.946 1.00 1.00 C ATOM 113 CG ASN A 9 31.811 -11.190 -28.449 1.00 1.00 C ATOM 114 OD1 ASN A 9 32.767 -11.095 -27.679 1.00 1.00 O ATOM 115 ND2 ASN A 9 30.625 -11.482 -27.989 1.00 1.00 N ATOM 0 H ASN A 9 32.260 -9.776 -32.228 1.00 1.00 H new ATOM 0 HA ASN A 9 30.187 -9.831 -30.130 1.00 1.00 H new ATOM 0 HB2 ASN A 9 31.652 -11.841 -30.498 1.00 1.00 H new ATOM 0 HB3 ASN A 9 33.064 -10.857 -30.172 1.00 1.00 H new ATOM 0 HD21 ASN A 9 30.488 -11.632 -26.989 1.00 1.00 H new ATOM 0 HD22 ASN A 9 29.835 -11.560 -28.629 1.00 1.00 H new ATOM 122 N TYR A 10 31.750 -7.353 -30.362 1.00 1.00 N ATOM 123 CA TYR A 10 32.259 -6.113 -29.788 1.00 1.00 C ATOM 124 C TYR A 10 33.759 -6.216 -29.534 1.00 1.00 C ATOM 125 O TYR A 10 34.560 -5.585 -30.223 1.00 1.00 O ATOM 126 CB TYR A 10 31.536 -5.809 -28.474 1.00 1.00 C ATOM 127 CG TYR A 10 30.067 -6.126 -28.624 1.00 1.00 C ATOM 128 CD1 TYR A 10 29.238 -5.269 -29.357 1.00 1.00 C ATOM 129 CD2 TYR A 10 29.535 -7.276 -28.028 1.00 1.00 C ATOM 130 CE1 TYR A 10 27.876 -5.562 -29.495 1.00 1.00 C ATOM 131 CE2 TYR A 10 28.173 -7.569 -28.167 1.00 1.00 C ATOM 132 CZ TYR A 10 27.343 -6.712 -28.900 1.00 1.00 C ATOM 133 OH TYR A 10 26.001 -7.002 -29.036 1.00 1.00 O ATOM 0 H TYR A 10 31.363 -7.260 -31.301 1.00 1.00 H new ATOM 0 HA TYR A 10 32.077 -5.305 -30.497 1.00 1.00 H new ATOM 0 HB2 TYR A 10 31.966 -6.399 -27.665 1.00 1.00 H new ATOM 0 HB3 TYR A 10 31.668 -4.760 -28.208 1.00 1.00 H new ATOM 0 HD1 TYR A 10 29.649 -4.382 -29.816 1.00 1.00 H new ATOM 0 HD2 TYR A 10 30.175 -7.936 -27.462 1.00 1.00 H new ATOM 0 HE1 TYR A 10 27.236 -4.901 -30.061 1.00 1.00 H new ATOM 0 HE2 TYR A 10 27.762 -8.456 -27.709 1.00 1.00 H new ATOM 0 HH TYR A 10 25.797 -7.836 -28.563 1.00 1.00 H new ATOM 143 N TYR A 11 34.133 -7.015 -28.540 1.00 1.00 N ATOM 144 CA TYR A 11 35.540 -7.193 -28.203 1.00 1.00 C ATOM 145 C TYR A 11 36.111 -5.917 -27.594 1.00 1.00 C ATOM 146 O TYR A 11 35.670 -4.813 -27.915 1.00 1.00 O ATOM 147 CB TYR A 11 36.334 -7.561 -29.458 1.00 1.00 C ATOM 148 CG TYR A 11 37.423 -8.543 -29.096 1.00 1.00 C ATOM 149 CD1 TYR A 11 38.613 -8.087 -28.517 1.00 1.00 C ATOM 150 CD2 TYR A 11 37.241 -9.910 -29.338 1.00 1.00 C ATOM 151 CE1 TYR A 11 39.622 -8.997 -28.182 1.00 1.00 C ATOM 152 CE2 TYR A 11 38.250 -10.821 -29.002 1.00 1.00 C ATOM 153 CZ TYR A 11 39.441 -10.364 -28.424 1.00 1.00 C ATOM 154 OH TYR A 11 40.435 -11.262 -28.093 1.00 1.00 O ATOM 0 H TYR A 11 33.486 -7.546 -27.957 1.00 1.00 H new ATOM 0 HA TYR A 11 35.620 -7.998 -27.472 1.00 1.00 H new ATOM 0 HB2 TYR A 11 35.671 -7.996 -30.206 1.00 1.00 H new ATOM 0 HB3 TYR A 11 36.770 -6.666 -29.901 1.00 1.00 H new ATOM 0 HD1 TYR A 11 38.753 -7.033 -28.329 1.00 1.00 H new ATOM 0 HD2 TYR A 11 36.322 -10.262 -29.784 1.00 1.00 H new ATOM 0 HE1 TYR A 11 40.541 -8.645 -27.737 1.00 1.00 H new ATOM 0 HE2 TYR A 11 38.110 -11.876 -29.188 1.00 1.00 H new ATOM 0 HH TYR A 11 40.147 -12.169 -28.326 1.00 1.00 H new ATOM 164 N GLY A 12 37.094 -6.075 -26.714 1.00 1.00 N ATOM 165 CA GLY A 12 37.717 -4.927 -26.065 1.00 1.00 C ATOM 166 C GLY A 12 36.672 -3.891 -25.669 1.00 1.00 C ATOM 167 O GLY A 12 36.950 -2.692 -25.647 1.00 1.00 O ATOM 0 H GLY A 12 37.474 -6.979 -26.435 1.00 1.00 H new ATOM 0 HA2 GLY A 12 38.262 -5.256 -25.180 1.00 1.00 H new ATOM 0 HA3 GLY A 12 38.446 -4.475 -26.738 1.00 1.00 H new ATOM 171 N ALA A 13 35.468 -4.361 -25.358 1.00 1.00 N ATOM 172 CA ALA A 13 34.387 -3.465 -24.964 1.00 1.00 C ATOM 173 C ALA A 13 34.708 -2.792 -23.634 1.00 1.00 C ATOM 174 O ALA A 13 34.133 -1.757 -23.296 1.00 1.00 O ATOM 175 CB ALA A 13 33.079 -4.247 -24.840 1.00 1.00 C ATOM 0 H ALA A 13 35.218 -5.350 -25.371 1.00 1.00 H new ATOM 0 HA ALA A 13 34.279 -2.697 -25.730 1.00 1.00 H new ATOM 0 HB1 ALA A 13 32.277 -3.570 -24.545 1.00 1.00 H new ATOM 0 HB2 ALA A 13 32.835 -4.703 -25.800 1.00 1.00 H new ATOM 0 HB3 ALA A 13 33.191 -5.026 -24.086 1.00 1.00 H new ATOM 181 N ASP A 14 35.629 -3.386 -22.882 1.00 1.00 N ATOM 182 CA ASP A 14 36.018 -2.835 -21.589 1.00 1.00 C ATOM 183 C ASP A 14 36.510 -1.400 -21.745 1.00 1.00 C ATOM 184 O ASP A 14 36.654 -0.673 -20.762 1.00 1.00 O ATOM 185 CB ASP A 14 37.123 -3.691 -20.968 1.00 1.00 C ATOM 186 CG ASP A 14 36.522 -4.681 -19.977 1.00 1.00 C ATOM 187 OD1 ASP A 14 35.781 -4.245 -19.111 1.00 1.00 O ATOM 188 OD2 ASP A 14 36.810 -5.860 -20.097 1.00 1.00 O ATOM 0 H ASP A 14 36.117 -4.243 -23.143 1.00 1.00 H new ATOM 0 HA ASP A 14 35.146 -2.839 -20.936 1.00 1.00 H new ATOM 0 HB2 ASP A 14 37.661 -4.228 -21.749 1.00 1.00 H new ATOM 0 HB3 ASP A 14 37.848 -3.053 -20.463 1.00 1.00 H new ATOM 193 N ASN A 15 36.766 -0.999 -22.986 1.00 1.00 N ATOM 194 CA ASN A 15 37.242 0.353 -23.259 1.00 1.00 C ATOM 195 C ASN A 15 36.162 1.378 -22.927 1.00 1.00 C ATOM 196 O ASN A 15 36.355 2.579 -23.113 1.00 1.00 O ATOM 197 CB ASN A 15 37.634 0.481 -24.732 1.00 1.00 C ATOM 198 CG ASN A 15 38.346 1.809 -24.968 1.00 1.00 C ATOM 199 OD1 ASN A 15 37.901 2.616 -25.783 1.00 1.00 O ATOM 200 ND2 ASN A 15 39.431 2.085 -24.298 1.00 1.00 N ATOM 0 H ASN A 15 36.653 -1.585 -23.813 1.00 1.00 H new ATOM 0 HA ASN A 15 38.114 0.545 -22.633 1.00 1.00 H new ATOM 0 HB2 ASN A 15 38.285 -0.346 -25.017 1.00 1.00 H new ATOM 0 HB3 ASN A 15 36.745 0.418 -25.360 1.00 1.00 H new ATOM 0 HD21 ASN A 15 39.912 2.972 -24.449 1.00 1.00 H new ATOM 0 HD22 ASN A 15 39.798 1.414 -23.623 1.00 1.00 H new ATOM 207 N GLN A 16 35.026 0.895 -22.433 1.00 1.00 N ATOM 208 CA GLN A 16 33.922 1.779 -22.079 1.00 1.00 C ATOM 209 C GLN A 16 33.279 1.333 -20.769 1.00 1.00 C ATOM 210 O GLN A 16 32.055 1.334 -20.636 1.00 1.00 O ATOM 211 CB GLN A 16 32.873 1.776 -23.192 1.00 1.00 C ATOM 212 CG GLN A 16 33.559 1.999 -24.541 1.00 1.00 C ATOM 213 CD GLN A 16 32.517 2.308 -25.611 1.00 1.00 C ATOM 214 OE1 GLN A 16 32.480 3.418 -26.141 1.00 1.00 O ATOM 215 NE2 GLN A 16 31.663 1.386 -25.962 1.00 1.00 N ATOM 0 H GLN A 16 34.847 -0.096 -22.270 1.00 1.00 H new ATOM 0 HA GLN A 16 34.314 2.788 -21.953 1.00 1.00 H new ATOM 0 HB2 GLN A 16 32.336 0.827 -23.198 1.00 1.00 H new ATOM 0 HB3 GLN A 16 32.136 2.559 -23.013 1.00 1.00 H new ATOM 0 HG2 GLN A 16 34.270 2.822 -24.465 1.00 1.00 H new ATOM 0 HG3 GLN A 16 34.127 1.112 -24.820 1.00 1.00 H new ATOM 0 HE21 GLN A 16 31.695 0.467 -25.522 1.00 1.00 H new ATOM 0 HE22 GLN A 16 30.963 1.585 -26.677 1.00 1.00 H new ATOM 224 N SER A 17 34.111 0.953 -19.806 1.00 1.00 N ATOM 225 CA SER A 17 33.612 0.506 -18.510 1.00 1.00 C ATOM 226 C SER A 17 34.491 1.040 -17.384 1.00 1.00 C ATOM 227 O SER A 17 35.605 1.507 -17.622 1.00 1.00 O ATOM 228 CB SER A 17 33.586 -1.021 -18.459 1.00 1.00 C ATOM 229 OG SER A 17 34.414 -1.469 -17.394 1.00 1.00 O ATOM 0 H SER A 17 35.127 0.945 -19.896 1.00 1.00 H new ATOM 0 HA SER A 17 32.601 0.891 -18.379 1.00 1.00 H new ATOM 0 HB2 SER A 17 32.565 -1.374 -18.315 1.00 1.00 H new ATOM 0 HB3 SER A 17 33.935 -1.434 -19.405 1.00 1.00 H new ATOM 0 HG SER A 17 34.399 -2.448 -17.357 1.00 1.00 H new ATOM 235 N GLU A 18 33.983 0.969 -16.159 1.00 1.00 N ATOM 236 CA GLU A 18 34.731 1.448 -15.002 1.00 1.00 C ATOM 237 C GLU A 18 36.134 0.850 -14.986 1.00 1.00 C ATOM 238 O GLU A 18 36.361 -0.209 -14.400 1.00 1.00 O ATOM 239 CB GLU A 18 33.998 1.072 -13.713 1.00 1.00 C ATOM 240 CG GLU A 18 33.437 -0.346 -13.840 1.00 1.00 C ATOM 241 CD GLU A 18 33.508 -1.057 -12.493 1.00 1.00 C ATOM 242 OE1 GLU A 18 33.344 -0.391 -11.484 1.00 1.00 O ATOM 243 OE2 GLU A 18 33.725 -2.257 -12.490 1.00 1.00 O ATOM 0 H GLU A 18 33.063 0.587 -15.942 1.00 1.00 H new ATOM 0 HA GLU A 18 34.812 2.533 -15.069 1.00 1.00 H new ATOM 0 HB2 GLU A 18 34.680 1.130 -12.864 1.00 1.00 H new ATOM 0 HB3 GLU A 18 33.190 1.778 -13.522 1.00 1.00 H new ATOM 0 HG2 GLU A 18 32.404 -0.308 -14.186 1.00 1.00 H new ATOM 0 HG3 GLU A 18 34.003 -0.904 -14.586 1.00 1.00 H new ATOM 250 N CYS A 19 37.071 1.534 -15.634 1.00 1.00 N ATOM 251 CA CYS A 19 38.449 1.060 -15.687 1.00 1.00 C ATOM 252 C CYS A 19 39.423 2.222 -15.515 1.00 1.00 C ATOM 253 O CYS A 19 40.219 2.243 -14.576 1.00 1.00 O ATOM 254 CB CYS A 19 38.711 0.366 -17.025 1.00 1.00 C ATOM 255 SG CYS A 19 38.482 -1.419 -16.833 1.00 1.00 S ATOM 0 H CYS A 19 36.904 2.412 -16.126 1.00 1.00 H new ATOM 0 HA CYS A 19 38.601 0.350 -14.874 1.00 1.00 H new ATOM 0 HB2 CYS A 19 38.032 0.751 -17.786 1.00 1.00 H new ATOM 0 HB3 CYS A 19 39.724 0.579 -17.365 1.00 1.00 H new ATOM 0 HG CYS A 19 38.702 -2.010 -17.970 1.00 1.00 H new ATOM 261 N GLU A 20 39.353 3.186 -16.427 1.00 1.00 N ATOM 262 CA GLU A 20 40.233 4.347 -16.366 1.00 1.00 C ATOM 263 C GLU A 20 39.479 5.612 -16.763 1.00 1.00 C ATOM 264 O GLU A 20 40.016 6.472 -17.462 1.00 1.00 O ATOM 265 CB GLU A 20 41.427 4.147 -17.302 1.00 1.00 C ATOM 266 CG GLU A 20 42.138 2.839 -16.950 1.00 1.00 C ATOM 267 CD GLU A 20 43.578 2.877 -17.451 1.00 1.00 C ATOM 268 OE1 GLU A 20 43.775 2.690 -18.640 1.00 1.00 O ATOM 269 OE2 GLU A 20 44.462 3.092 -16.638 1.00 1.00 O ATOM 0 H GLU A 20 38.701 3.187 -17.212 1.00 1.00 H new ATOM 0 HA GLU A 20 40.589 4.456 -15.342 1.00 1.00 H new ATOM 0 HB2 GLU A 20 41.090 4.123 -18.338 1.00 1.00 H new ATOM 0 HB3 GLU A 20 42.118 4.985 -17.211 1.00 1.00 H new ATOM 0 HG2 GLU A 20 42.124 2.687 -15.871 1.00 1.00 H new ATOM 0 HG3 GLU A 20 41.611 1.997 -17.398 1.00 1.00 H new ATOM 276 N TYR A 21 38.233 5.718 -16.314 1.00 1.00 N ATOM 277 CA TYR A 21 37.415 6.883 -16.629 1.00 1.00 C ATOM 278 C TYR A 21 36.600 7.311 -15.412 1.00 1.00 C ATOM 279 O TYR A 21 35.760 8.206 -15.499 1.00 1.00 O ATOM 280 CB TYR A 21 36.471 6.560 -17.789 1.00 1.00 C ATOM 281 CG TYR A 21 35.068 6.378 -17.261 1.00 1.00 C ATOM 282 CD1 TYR A 21 34.733 5.221 -16.548 1.00 1.00 C ATOM 283 CD2 TYR A 21 34.102 7.366 -17.485 1.00 1.00 C ATOM 284 CE1 TYR A 21 33.433 5.052 -16.059 1.00 1.00 C ATOM 285 CE2 TYR A 21 32.801 7.197 -16.996 1.00 1.00 C ATOM 286 CZ TYR A 21 32.466 6.040 -16.283 1.00 1.00 C ATOM 287 OH TYR A 21 31.184 5.873 -15.800 1.00 1.00 O ATOM 0 H TYR A 21 37.770 5.017 -15.735 1.00 1.00 H new ATOM 0 HA TYR A 21 38.076 7.701 -16.915 1.00 1.00 H new ATOM 0 HB2 TYR A 21 36.493 7.364 -18.524 1.00 1.00 H new ATOM 0 HB3 TYR A 21 36.800 5.654 -18.298 1.00 1.00 H new ATOM 0 HD1 TYR A 21 35.478 4.459 -16.375 1.00 1.00 H new ATOM 0 HD2 TYR A 21 34.360 8.259 -18.035 1.00 1.00 H new ATOM 0 HE1 TYR A 21 33.175 4.159 -15.509 1.00 1.00 H new ATOM 0 HE2 TYR A 21 32.056 7.959 -17.169 1.00 1.00 H new ATOM 0 HH TYR A 21 30.639 6.651 -16.042 1.00 1.00 H new ATOM 297 N THR A 22 36.856 6.666 -14.279 1.00 1.00 N ATOM 298 CA THR A 22 36.140 6.988 -13.050 1.00 1.00 C ATOM 299 C THR A 22 37.095 7.001 -11.861 1.00 1.00 C ATOM 300 O THR A 22 36.965 7.826 -10.956 1.00 1.00 O ATOM 301 CB THR A 22 35.032 5.962 -12.806 1.00 1.00 C ATOM 302 OG1 THR A 22 34.292 6.332 -11.651 1.00 1.00 O ATOM 303 CG2 THR A 22 35.651 4.579 -12.597 1.00 1.00 C ATOM 0 H THR A 22 37.548 5.923 -14.186 1.00 1.00 H new ATOM 0 HA THR A 22 35.699 7.979 -13.158 1.00 1.00 H new ATOM 0 HB THR A 22 34.367 5.933 -13.669 1.00 1.00 H new ATOM 0 HG1 THR A 22 33.581 5.676 -11.494 1.00 1.00 H new ATOM 0 HG21 THR A 22 34.860 3.849 -12.423 1.00 1.00 H new ATOM 0 HG22 THR A 22 36.218 4.296 -13.484 1.00 1.00 H new ATOM 0 HG23 THR A 22 36.317 4.605 -11.734 1.00 1.00 H new ATOM 311 N ASP A 23 38.055 6.081 -11.869 1.00 1.00 N ATOM 312 CA ASP A 23 39.027 5.995 -10.785 1.00 1.00 C ATOM 313 C ASP A 23 40.023 7.148 -10.866 1.00 1.00 C ATOM 314 O ASP A 23 40.486 7.653 -9.844 1.00 1.00 O ATOM 315 CB ASP A 23 39.777 4.664 -10.861 1.00 1.00 C ATOM 316 CG ASP A 23 39.839 4.021 -9.480 1.00 1.00 C ATOM 317 OD1 ASP A 23 40.497 4.579 -8.618 1.00 1.00 O ATOM 318 OD2 ASP A 23 39.226 2.981 -9.305 1.00 1.00 O ATOM 0 H ASP A 23 38.180 5.389 -12.608 1.00 1.00 H new ATOM 0 HA ASP A 23 38.493 6.057 -9.837 1.00 1.00 H new ATOM 0 HB2 ASP A 23 39.277 3.995 -11.561 1.00 1.00 H new ATOM 0 HB3 ASP A 23 40.786 4.827 -11.241 1.00 1.00 H new ATOM 323 N TRP A 24 40.347 7.559 -12.088 1.00 1.00 N ATOM 324 CA TRP A 24 41.290 8.653 -12.289 1.00 1.00 C ATOM 325 C TRP A 24 40.549 9.977 -12.444 1.00 1.00 C ATOM 326 O TRP A 24 41.149 11.001 -12.770 1.00 1.00 O ATOM 327 CB TRP A 24 42.135 8.390 -13.537 1.00 1.00 C ATOM 328 CG TRP A 24 41.563 9.144 -14.694 1.00 1.00 C ATOM 329 CD1 TRP A 24 40.545 8.713 -15.475 1.00 1.00 C ATOM 330 CD2 TRP A 24 41.955 10.447 -15.215 1.00 1.00 C ATOM 331 NE1 TRP A 24 40.287 9.669 -16.441 1.00 1.00 N ATOM 332 CE2 TRP A 24 41.130 10.756 -16.323 1.00 1.00 C ATOM 333 CE3 TRP A 24 42.936 11.381 -14.838 1.00 1.00 C ATOM 334 CZ2 TRP A 24 41.274 11.950 -17.031 1.00 1.00 C ATOM 335 CZ3 TRP A 24 43.084 12.584 -15.549 1.00 1.00 C ATOM 336 CH2 TRP A 24 42.254 12.867 -16.643 1.00 1.00 C ATOM 0 H TRP A 24 39.974 7.155 -12.947 1.00 1.00 H new ATOM 0 HA TRP A 24 41.940 8.713 -11.416 1.00 1.00 H new ATOM 0 HB2 TRP A 24 43.166 8.698 -13.363 1.00 1.00 H new ATOM 0 HB3 TRP A 24 42.154 7.323 -13.758 1.00 1.00 H new ATOM 0 HD1 TRP A 24 40.020 7.776 -15.362 1.00 1.00 H new ATOM 0 HE1 TRP A 24 39.562 9.582 -17.154 1.00 1.00 H new ATOM 0 HE3 TRP A 24 43.580 11.172 -13.996 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 40.632 12.164 -17.873 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 43.841 13.294 -15.251 1.00 1.00 H new ATOM 0 HH2 TRP A 24 42.372 13.793 -17.185 1.00 1.00 H new ATOM 347 N LYS A 25 39.241 9.949 -12.208 1.00 1.00 N ATOM 348 CA LYS A 25 38.428 11.154 -12.324 1.00 1.00 C ATOM 349 C LYS A 25 39.139 12.344 -11.688 1.00 1.00 C ATOM 350 O LYS A 25 38.993 13.480 -12.138 1.00 1.00 O ATOM 351 CB LYS A 25 37.076 10.939 -11.641 1.00 1.00 C ATOM 352 CG LYS A 25 36.220 12.198 -11.794 1.00 1.00 C ATOM 353 CD LYS A 25 34.842 11.817 -12.337 1.00 1.00 C ATOM 354 CE LYS A 25 34.970 11.374 -13.796 1.00 1.00 C ATOM 355 NZ LYS A 25 34.335 12.391 -14.682 1.00 1.00 N ATOM 0 H LYS A 25 38.725 9.112 -11.937 1.00 1.00 H new ATOM 0 HA LYS A 25 38.271 11.363 -13.382 1.00 1.00 H new ATOM 0 HB2 LYS A 25 36.565 10.083 -12.083 1.00 1.00 H new ATOM 0 HB3 LYS A 25 37.222 10.712 -10.585 1.00 1.00 H new ATOM 0 HG2 LYS A 25 36.117 12.699 -10.832 1.00 1.00 H new ATOM 0 HG3 LYS A 25 36.707 12.901 -12.470 1.00 1.00 H new ATOM 0 HD2 LYS A 25 34.414 11.013 -11.738 1.00 1.00 H new ATOM 0 HD3 LYS A 25 34.163 12.666 -12.262 1.00 1.00 H new ATOM 0 HE2 LYS A 25 36.021 11.252 -14.059 1.00 1.00 H new ATOM 0 HE3 LYS A 25 34.492 10.405 -13.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 34.422 12.090 -15.674 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 33.329 12.486 -14.436 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 34.811 13.307 -14.555 1.00 1.00 H new ATOM 369 N SER A 26 39.909 12.074 -10.638 1.00 1.00 N ATOM 370 CA SER A 26 40.639 13.131 -9.947 1.00 1.00 C ATOM 371 C SER A 26 41.802 12.548 -9.152 1.00 1.00 C ATOM 372 O SER A 26 42.962 12.681 -9.543 1.00 1.00 O ATOM 373 CB SER A 26 39.700 13.882 -9.004 1.00 1.00 C ATOM 374 OG SER A 26 38.793 12.961 -8.412 1.00 1.00 O ATOM 0 H SER A 26 40.043 11.140 -10.250 1.00 1.00 H new ATOM 0 HA SER A 26 41.034 13.821 -10.692 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.274 14.392 -8.231 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.152 14.648 -9.552 1.00 1.00 H new ATOM 0 HG SER A 26 37.933 13.003 -8.879 1.00 1.00 H new ATOM 380 N SER A 27 41.484 11.902 -8.035 1.00 1.00 N ATOM 381 CA SER A 27 42.512 11.303 -7.192 1.00 1.00 C ATOM 382 C SER A 27 43.285 12.383 -6.443 1.00 1.00 C ATOM 383 O SER A 27 43.433 12.319 -5.222 1.00 1.00 O ATOM 384 CB SER A 27 43.478 10.484 -8.049 1.00 1.00 C ATOM 385 OG SER A 27 42.843 10.141 -9.274 1.00 1.00 O ATOM 0 H SER A 27 40.530 11.780 -7.694 1.00 1.00 H new ATOM 0 HA SER A 27 42.026 10.650 -6.467 1.00 1.00 H new ATOM 0 HB2 SER A 27 44.385 11.057 -8.244 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.779 9.582 -7.517 1.00 1.00 H new ATOM 0 HG SER A 27 43.460 9.617 -9.827 1.00 1.00 H new ATOM 391 N GLY A 28 43.773 13.375 -7.184 1.00 1.00 N ATOM 392 CA GLY A 28 44.530 14.471 -6.587 1.00 1.00 C ATOM 393 C GLY A 28 43.806 15.798 -6.784 1.00 1.00 C ATOM 394 O GLY A 28 44.426 16.862 -6.784 1.00 1.00 O ATOM 0 H GLY A 28 43.658 13.442 -8.195 1.00 1.00 H new ATOM 0 HA2 GLY A 28 44.672 14.284 -5.523 1.00 1.00 H new ATOM 0 HA3 GLY A 28 45.521 14.522 -7.037 1.00 1.00 H new ATOM 398 N ALA A 29 42.490 15.726 -6.952 1.00 1.00 N ATOM 399 CA ALA A 29 41.686 16.927 -7.149 1.00 1.00 C ATOM 400 C ALA A 29 40.221 16.639 -6.841 1.00 1.00 C ATOM 401 O ALA A 29 39.333 16.982 -7.622 1.00 1.00 O ATOM 402 CB ALA A 29 41.821 17.416 -8.592 1.00 1.00 C ATOM 0 H ALA A 29 41.960 14.855 -6.956 1.00 1.00 H new ATOM 0 HA ALA A 29 42.045 17.701 -6.471 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.217 18.313 -8.730 1.00 1.00 H new ATOM 0 HB2 ALA A 29 42.866 17.646 -8.802 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.476 16.638 -9.273 1.00 1.00 H new ATOM 408 N LEU A 30 39.979 16.004 -5.700 1.00 1.00 N ATOM 409 CA LEU A 30 38.619 15.669 -5.296 1.00 1.00 C ATOM 410 C LEU A 30 38.609 15.122 -3.871 1.00 1.00 C ATOM 411 O LEU A 30 37.651 15.324 -3.124 1.00 1.00 O ATOM 412 CB LEU A 30 38.036 14.627 -6.259 1.00 1.00 C ATOM 413 CG LEU A 30 36.570 14.337 -5.907 1.00 1.00 C ATOM 414 CD1 LEU A 30 35.726 15.603 -6.080 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.036 13.246 -6.838 1.00 1.00 C ATOM 0 H LEU A 30 40.702 15.712 -5.042 1.00 1.00 H new ATOM 0 HA LEU A 30 38.009 16.572 -5.328 1.00 1.00 H new ATOM 0 HB2 LEU A 30 38.106 14.990 -7.284 1.00 1.00 H new ATOM 0 HB3 LEU A 30 38.618 13.707 -6.206 1.00 1.00 H new ATOM 0 HG LEU A 30 36.510 14.007 -4.870 1.00 1.00 H new ATOM 0 HD11 LEU A 30 34.688 15.386 -5.828 1.00 1.00 H new ATOM 0 HD12 LEU A 30 36.104 16.385 -5.421 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.785 15.941 -7.115 1.00 1.00 H new ATOM 0 HD21 LEU A 30 34.995 13.036 -6.593 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.104 13.585 -7.872 1.00 1.00 H new ATOM 0 HD23 LEU A 30 36.628 12.339 -6.714 1.00 1.00 H new ATOM 427 N ILE A 31 39.682 14.429 -3.501 1.00 1.00 N ATOM 428 CA ILE A 31 39.787 13.859 -2.163 1.00 1.00 C ATOM 429 C ILE A 31 40.039 14.944 -1.111 1.00 1.00 C ATOM 430 O ILE A 31 39.544 14.842 0.012 1.00 1.00 O ATOM 431 CB ILE A 31 40.916 12.823 -2.112 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.996 12.075 -3.449 1.00 1.00 C ATOM 433 CG2 ILE A 31 40.644 11.825 -0.984 1.00 1.00 C ATOM 434 CD1 ILE A 31 39.616 11.531 -3.838 1.00 1.00 C ATOM 0 H ILE A 31 40.485 14.250 -4.104 1.00 1.00 H new ATOM 0 HA ILE A 31 38.837 13.374 -1.936 1.00 1.00 H new ATOM 0 HB ILE A 31 41.862 13.332 -1.928 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.363 12.745 -4.227 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.709 11.255 -3.372 1.00 1.00 H new ATOM 0 HG21 ILE A 31 41.447 11.089 -0.948 1.00 1.00 H new ATOM 0 HG22 ILE A 31 40.595 12.355 -0.033 1.00 1.00 H new ATOM 0 HG23 ILE A 31 39.696 11.319 -1.166 1.00 1.00 H new ATOM 0 HD11 ILE A 31 39.688 11.003 -4.789 1.00 1.00 H new ATOM 0 HD12 ILE A 31 39.265 10.845 -3.067 1.00 1.00 H new ATOM 0 HD13 ILE A 31 38.913 12.358 -3.935 1.00 1.00 H new ATOM 446 N PRO A 32 40.791 15.973 -1.434 1.00 1.00 N ATOM 447 CA PRO A 32 41.090 17.073 -0.469 1.00 1.00 C ATOM 448 C PRO A 32 39.822 17.778 0.006 1.00 1.00 C ATOM 449 O PRO A 32 39.863 18.600 0.922 1.00 1.00 O ATOM 450 CB PRO A 32 41.986 18.039 -1.255 1.00 1.00 C ATOM 451 CG PRO A 32 42.495 17.261 -2.423 1.00 1.00 C ATOM 452 CD PRO A 32 41.436 16.210 -2.736 1.00 1.00 C ATOM 0 HA PRO A 32 41.567 16.694 0.435 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.425 18.914 -1.583 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.808 18.400 -0.637 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.661 17.913 -3.281 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.451 16.792 -2.190 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.722 16.568 -3.478 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.881 15.299 -3.135 1.00 1.00 H new ATOM 460 N ALA A 33 38.698 17.451 -0.622 1.00 1.00 N ATOM 461 CA ALA A 33 37.424 18.059 -0.255 1.00 1.00 C ATOM 462 C ALA A 33 36.641 17.141 0.677 1.00 1.00 C ATOM 463 O ALA A 33 36.385 17.485 1.832 1.00 1.00 O ATOM 464 CB ALA A 33 36.598 18.339 -1.512 1.00 1.00 C ATOM 0 H ALA A 33 38.642 16.773 -1.382 1.00 1.00 H new ATOM 0 HA ALA A 33 37.626 18.997 0.263 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.648 18.793 -1.230 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.146 19.020 -2.163 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.410 17.404 -2.040 1.00 1.00 H new ATOM 470 N ILE A 34 36.261 15.973 0.169 1.00 1.00 N ATOM 471 CA ILE A 34 35.506 15.014 0.966 1.00 1.00 C ATOM 472 C ILE A 34 36.230 14.718 2.276 1.00 1.00 C ATOM 473 O ILE A 34 35.599 14.432 3.294 1.00 1.00 O ATOM 474 CB ILE A 34 35.318 13.715 0.180 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.897 14.045 -1.254 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.234 12.867 0.846 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.359 12.783 -1.931 1.00 1.00 C ATOM 0 H ILE A 34 36.462 15.670 -0.784 1.00 1.00 H new ATOM 0 HA ILE A 34 34.531 15.446 1.192 1.00 1.00 H new ATOM 0 HB ILE A 34 36.256 13.160 0.166 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.133 14.822 -1.250 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.747 14.436 -1.813 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.100 11.942 0.286 1.00 1.00 H new ATOM 0 HG22 ILE A 34 34.532 12.633 1.868 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.296 13.421 0.860 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.059 13.018 -2.952 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.137 12.019 -1.948 1.00 1.00 H new ATOM 0 HD13 ILE A 34 33.497 12.412 -1.376 1.00 1.00 H new ATOM 489 N TYR A 35 37.556 14.788 2.242 1.00 1.00 N ATOM 490 CA TYR A 35 38.356 14.526 3.434 1.00 1.00 C ATOM 491 C TYR A 35 38.433 15.770 4.312 1.00 1.00 C ATOM 492 O TYR A 35 38.937 15.719 5.434 1.00 1.00 O ATOM 493 CB TYR A 35 39.767 14.094 3.031 1.00 1.00 C ATOM 494 CG TYR A 35 40.493 13.555 4.240 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.253 12.247 4.675 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.406 14.365 4.927 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.926 11.747 5.796 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.079 13.865 6.048 1.00 1.00 C ATOM 499 CZ TYR A 35 41.839 12.556 6.483 1.00 1.00 C ATOM 500 OH TYR A 35 42.502 12.064 7.588 1.00 1.00 O ATOM 0 H TYR A 35 38.097 15.022 1.409 1.00 1.00 H new ATOM 0 HA TYR A 35 37.879 13.726 4.000 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.717 13.332 2.254 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.313 14.940 2.613 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.548 11.623 4.146 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.591 15.375 4.592 1.00 1.00 H new ATOM 0 HE1 TYR A 35 40.741 10.737 6.131 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.784 14.489 6.577 1.00 1.00 H new ATOM 0 HH TYR A 35 43.099 12.754 7.945 1.00 1.00 H new ATOM 510 N MET A 36 37.931 16.886 3.795 1.00 1.00 N ATOM 511 CA MET A 36 37.949 18.139 4.542 1.00 1.00 C ATOM 512 C MET A 36 36.616 18.359 5.251 1.00 1.00 C ATOM 513 O MET A 36 36.566 18.958 6.325 1.00 1.00 O ATOM 514 CB MET A 36 38.224 19.308 3.595 1.00 1.00 C ATOM 515 CG MET A 36 38.255 20.614 4.391 1.00 1.00 C ATOM 516 SD MET A 36 39.754 21.539 3.975 1.00 1.00 S ATOM 517 CE MET A 36 40.902 20.583 4.996 1.00 1.00 C ATOM 0 H MET A 36 37.509 16.949 2.868 1.00 1.00 H new ATOM 0 HA MET A 36 38.741 18.083 5.289 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.175 19.159 3.083 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.452 19.356 2.827 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.372 21.211 4.165 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.231 20.402 5.460 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.908 20.989 4.890 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.595 20.642 6.040 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.895 19.542 4.674 1.00 1.00 H new ATOM 527 N LEU A 37 35.540 17.870 4.644 1.00 1.00 N ATOM 528 CA LEU A 37 34.212 18.019 5.227 1.00 1.00 C ATOM 529 C LEU A 37 33.909 16.861 6.173 1.00 1.00 C ATOM 530 O LEU A 37 33.000 16.943 6.998 1.00 1.00 O ATOM 531 CB LEU A 37 33.158 18.065 4.120 1.00 1.00 C ATOM 532 CG LEU A 37 33.585 19.069 3.048 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.515 19.139 1.957 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.754 20.451 3.685 1.00 1.00 C ATOM 0 H LEU A 37 35.561 17.371 3.755 1.00 1.00 H new ATOM 0 HA LEU A 37 34.186 18.951 5.792 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.036 17.076 3.679 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.191 18.350 4.536 1.00 1.00 H new ATOM 0 HG LEU A 37 34.530 18.751 2.608 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.820 19.855 1.194 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.392 18.155 1.504 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.569 19.457 2.395 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.058 21.168 2.923 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.808 20.768 4.124 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.516 20.402 4.463 1.00 1.00 H new ATOM 546 N VAL A 38 34.678 15.784 6.047 1.00 1.00 N ATOM 547 CA VAL A 38 34.482 14.615 6.897 1.00 1.00 C ATOM 548 C VAL A 38 35.520 14.585 8.014 1.00 1.00 C ATOM 549 O VAL A 38 35.486 13.714 8.883 1.00 1.00 O ATOM 550 CB VAL A 38 34.592 13.339 6.061 1.00 1.00 C ATOM 551 CG1 VAL A 38 34.457 12.118 6.974 1.00 1.00 C ATOM 552 CG2 VAL A 38 33.474 13.318 5.016 1.00 1.00 C ATOM 0 H VAL A 38 35.436 15.696 5.371 1.00 1.00 H new ATOM 0 HA VAL A 38 33.489 14.674 7.342 1.00 1.00 H new ATOM 0 HB VAL A 38 35.560 13.314 5.561 1.00 1.00 H new ATOM 0 HG11 VAL A 38 34.535 11.208 6.379 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.251 12.133 7.721 1.00 1.00 H new ATOM 0 HG13 VAL A 38 33.489 12.143 7.474 1.00 1.00 H new ATOM 0 HG21 VAL A 38 33.551 12.409 4.419 1.00 1.00 H new ATOM 0 HG22 VAL A 38 32.507 13.342 5.518 1.00 1.00 H new ATOM 0 HG23 VAL A 38 33.567 14.188 4.366 1.00 1.00 H new ATOM 562 N PHE A 39 36.442 15.542 7.984 1.00 1.00 N ATOM 563 CA PHE A 39 37.486 15.615 9.000 1.00 1.00 C ATOM 564 C PHE A 39 36.921 16.150 10.312 1.00 1.00 C ATOM 565 O PHE A 39 37.281 15.680 11.391 1.00 1.00 O ATOM 566 CB PHE A 39 38.618 16.526 8.521 1.00 1.00 C ATOM 567 CG PHE A 39 39.356 17.083 9.714 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.223 16.263 10.447 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.173 18.420 10.089 1.00 1.00 C ATOM 570 CE1 PHE A 39 40.907 16.780 11.553 1.00 1.00 C ATOM 571 CE2 PHE A 39 39.858 18.936 11.196 1.00 1.00 C ATOM 572 CZ PHE A 39 40.724 18.116 11.928 1.00 1.00 C ATOM 0 H PHE A 39 36.488 16.272 7.273 1.00 1.00 H new ATOM 0 HA PHE A 39 37.874 14.610 9.168 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.304 15.967 7.884 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.214 17.339 7.918 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.364 15.232 10.159 1.00 1.00 H new ATOM 0 HD2 PHE A 39 38.504 19.053 9.525 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.576 16.148 12.117 1.00 1.00 H new ATOM 0 HE2 PHE A 39 39.718 19.967 11.485 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.251 18.514 12.782 1.00 1.00 H new ATOM 582 N LEU A 40 36.034 17.134 10.210 1.00 1.00 N ATOM 583 CA LEU A 40 35.425 17.725 11.396 1.00 1.00 C ATOM 584 C LEU A 40 34.100 17.039 11.717 1.00 1.00 C ATOM 585 O LEU A 40 33.385 17.447 12.632 1.00 1.00 O ATOM 586 CB LEU A 40 35.186 19.220 11.171 1.00 1.00 C ATOM 587 CG LEU A 40 34.416 19.423 9.865 1.00 1.00 C ATOM 588 CD1 LEU A 40 33.259 20.396 10.100 1.00 1.00 C ATOM 589 CD2 LEU A 40 35.357 19.999 8.805 1.00 1.00 C ATOM 0 H LEU A 40 35.723 17.537 9.326 1.00 1.00 H new ATOM 0 HA LEU A 40 36.105 17.588 12.237 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.624 19.639 12.006 1.00 1.00 H new ATOM 0 HB3 LEU A 40 36.138 19.749 11.130 1.00 1.00 H new ATOM 0 HG LEU A 40 34.022 18.466 9.523 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.710 20.541 9.169 1.00 1.00 H new ATOM 0 HD12 LEU A 40 32.589 19.988 10.857 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.652 21.353 10.442 1.00 1.00 H new ATOM 0 HD21 LEU A 40 34.810 20.144 7.873 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.750 20.956 9.148 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.183 19.307 8.637 1.00 1.00 H new ATOM 601 N LEU A 41 33.781 15.996 10.958 1.00 1.00 N ATOM 602 CA LEU A 41 32.540 15.260 11.171 1.00 1.00 C ATOM 603 C LEU A 41 32.785 13.757 11.070 1.00 1.00 C ATOM 604 O LEU A 41 31.869 12.988 10.779 1.00 1.00 O ATOM 605 CB LEU A 41 31.500 15.680 10.131 1.00 1.00 C ATOM 606 CG LEU A 41 30.877 17.015 10.542 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.448 17.785 9.292 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.654 16.756 11.424 1.00 1.00 C ATOM 0 H LEU A 41 34.359 15.643 10.196 1.00 1.00 H new ATOM 0 HA LEU A 41 32.169 15.490 12.170 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.967 15.771 9.150 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.727 14.917 10.046 1.00 1.00 H new ATOM 0 HG LEU A 41 31.609 17.602 11.097 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.004 18.736 9.585 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.318 17.969 8.662 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.716 17.199 8.737 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.209 17.707 11.718 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.922 16.169 10.868 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.958 16.207 12.315 1.00 1.00 H new ATOM 620 N GLY A 42 34.025 13.347 11.314 1.00 1.00 N ATOM 621 CA GLY A 42 34.378 11.934 11.249 1.00 1.00 C ATOM 622 C GLY A 42 35.311 11.552 12.393 1.00 1.00 C ATOM 623 O GLY A 42 35.786 10.419 12.467 1.00 1.00 O ATOM 0 H GLY A 42 34.797 13.968 11.557 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.474 11.327 11.294 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.859 11.719 10.295 1.00 1.00 H new ATOM 627 N THR A 43 35.568 12.505 13.283 1.00 1.00 N ATOM 628 CA THR A 43 36.446 12.257 14.420 1.00 1.00 C ATOM 629 C THR A 43 36.223 13.304 15.507 1.00 1.00 C ATOM 630 O THR A 43 35.901 12.970 16.647 1.00 1.00 O ATOM 631 CB THR A 43 37.908 12.291 13.970 1.00 1.00 C ATOM 632 OG1 THR A 43 38.250 11.042 13.384 1.00 1.00 O ATOM 633 CG2 THR A 43 38.810 12.555 15.176 1.00 1.00 C ATOM 0 H THR A 43 35.184 13.449 13.240 1.00 1.00 H new ATOM 0 HA THR A 43 36.214 11.272 14.825 1.00 1.00 H new ATOM 0 HB THR A 43 38.045 13.087 13.237 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.433 10.575 13.110 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.851 12.579 14.854 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.547 13.513 15.624 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.676 11.761 15.911 1.00 1.00 H new ATOM 641 N THR A 44 36.396 14.571 15.146 1.00 1.00 N ATOM 642 CA THR A 44 36.210 15.659 16.099 1.00 1.00 C ATOM 643 C THR A 44 34.870 15.521 16.814 1.00 1.00 C ATOM 644 O THR A 44 34.690 16.031 17.920 1.00 1.00 O ATOM 645 CB THR A 44 36.268 17.005 15.373 1.00 1.00 C ATOM 646 OG1 THR A 44 37.619 17.318 15.067 1.00 1.00 O ATOM 647 CG2 THR A 44 35.679 18.096 16.269 1.00 1.00 C ATOM 0 H THR A 44 36.663 14.869 14.208 1.00 1.00 H new ATOM 0 HA THR A 44 37.010 15.611 16.838 1.00 1.00 H new ATOM 0 HB THR A 44 35.691 16.946 14.450 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.658 18.179 14.600 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.721 19.054 15.751 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.642 17.855 16.502 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.254 18.158 17.193 1.00 1.00 H new ATOM 655 N GLY A 45 33.932 14.829 16.175 1.00 1.00 N ATOM 656 CA GLY A 45 32.612 14.630 16.760 1.00 1.00 C ATOM 657 C GLY A 45 32.721 14.117 18.191 1.00 1.00 C ATOM 658 O GLY A 45 32.518 14.866 19.147 1.00 1.00 O ATOM 0 H GLY A 45 34.060 14.400 15.259 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.059 15.569 16.748 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.046 13.920 16.157 1.00 1.00 H new ATOM 662 N ASN A 46 33.045 12.835 18.331 1.00 1.00 N ATOM 663 CA ASN A 46 33.180 12.231 19.651 1.00 1.00 C ATOM 664 C ASN A 46 34.413 11.333 19.703 1.00 1.00 C ATOM 665 O ASN A 46 35.544 11.818 19.675 1.00 1.00 O ATOM 666 CB ASN A 46 31.929 11.412 19.979 1.00 1.00 C ATOM 667 CG ASN A 46 30.753 12.345 20.249 1.00 1.00 C ATOM 668 OD1 ASN A 46 30.293 13.095 19.285 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 30.240 12.390 21.367 1.00 1.00 N flip ATOM 0 H ASN A 46 33.218 12.199 17.553 1.00 1.00 H new ATOM 0 HA ASN A 46 33.294 13.026 20.388 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.692 10.745 19.150 1.00 1.00 H new ATOM 0 HB3 ASN A 46 32.113 10.784 20.850 1.00 1.00 H new ATOM 0 HD21 ASN A 46 30.602 11.803 22.118 1.00 1.00 H new ATOM 0 HD22 ASN A 46 29.453 13.015 21.542 1.00 1.00 H new ATOM 676 N GLY A 47 34.188 10.024 19.779 1.00 1.00 N ATOM 677 CA GLY A 47 35.291 9.071 19.835 1.00 1.00 C ATOM 678 C GLY A 47 36.412 9.585 20.732 1.00 1.00 C ATOM 679 O GLY A 47 37.563 9.168 20.605 1.00 1.00 O ATOM 0 H GLY A 47 33.260 9.602 19.803 1.00 1.00 H new ATOM 0 HA2 GLY A 47 34.930 8.113 20.210 1.00 1.00 H new ATOM 0 HA3 GLY A 47 35.676 8.895 18.830 1.00 1.00 H new ATOM 683 N LEU A 48 36.066 10.495 21.638 1.00 1.00 N ATOM 684 CA LEU A 48 37.050 11.062 22.553 1.00 1.00 C ATOM 685 C LEU A 48 36.491 11.126 23.970 1.00 1.00 C ATOM 686 O LEU A 48 37.169 10.765 24.932 1.00 1.00 O ATOM 687 CB LEU A 48 37.439 12.469 22.093 1.00 1.00 C ATOM 688 CG LEU A 48 38.435 12.371 20.937 1.00 1.00 C ATOM 689 CD1 LEU A 48 38.202 13.526 19.962 1.00 1.00 C ATOM 690 CD2 LEU A 48 39.861 12.449 21.486 1.00 1.00 C ATOM 0 H LEU A 48 35.118 10.853 21.758 1.00 1.00 H new ATOM 0 HA LEU A 48 37.932 10.421 22.551 1.00 1.00 H new ATOM 0 HB2 LEU A 48 36.552 13.018 21.777 1.00 1.00 H new ATOM 0 HB3 LEU A 48 37.880 13.025 22.921 1.00 1.00 H new ATOM 0 HG LEU A 48 38.295 11.423 20.417 1.00 1.00 H new ATOM 0 HD11 LEU A 48 38.912 13.456 19.138 1.00 1.00 H new ATOM 0 HD12 LEU A 48 37.186 13.473 19.571 1.00 1.00 H new ATOM 0 HD13 LEU A 48 38.341 14.474 20.481 1.00 1.00 H new ATOM 0 HD21 LEU A 48 40.572 12.379 20.663 1.00 1.00 H new ATOM 0 HD22 LEU A 48 39.999 13.397 22.006 1.00 1.00 H new ATOM 0 HD23 LEU A 48 40.029 11.626 22.181 1.00 1.00 H new ATOM 702 N VAL A 49 35.250 11.586 24.092 1.00 1.00 N ATOM 703 CA VAL A 49 34.609 11.693 25.397 1.00 1.00 C ATOM 704 C VAL A 49 34.848 10.428 26.217 1.00 1.00 C ATOM 705 O VAL A 49 34.685 10.428 27.437 1.00 1.00 O ATOM 706 CB VAL A 49 33.106 11.915 25.225 1.00 1.00 C ATOM 707 CG1 VAL A 49 32.493 10.719 24.495 1.00 1.00 C ATOM 708 CG2 VAL A 49 32.452 12.061 26.600 1.00 1.00 C ATOM 0 H VAL A 49 34.672 11.889 23.308 1.00 1.00 H new ATOM 0 HA VAL A 49 35.043 12.542 25.925 1.00 1.00 H new ATOM 0 HB VAL A 49 32.938 12.821 24.643 1.00 1.00 H new ATOM 0 HG11 VAL A 49 31.422 10.878 24.373 1.00 1.00 H new ATOM 0 HG12 VAL A 49 32.958 10.613 23.515 1.00 1.00 H new ATOM 0 HG13 VAL A 49 32.661 9.813 25.076 1.00 1.00 H new ATOM 0 HG21 VAL A 49 31.380 12.219 26.478 1.00 1.00 H new ATOM 0 HG22 VAL A 49 32.621 11.155 27.181 1.00 1.00 H new ATOM 0 HG23 VAL A 49 32.888 12.913 27.122 1.00 1.00 H new ATOM 718 N LEU A 50 35.234 9.353 25.538 1.00 1.00 N ATOM 719 CA LEU A 50 35.491 8.087 26.214 1.00 1.00 C ATOM 720 C LEU A 50 36.966 7.967 26.584 1.00 1.00 C ATOM 721 O LEU A 50 37.306 7.574 27.700 1.00 1.00 O ATOM 722 CB LEU A 50 35.095 6.920 25.307 1.00 1.00 C ATOM 723 CG LEU A 50 33.662 7.123 24.811 1.00 1.00 C ATOM 724 CD1 LEU A 50 33.685 7.561 23.346 1.00 1.00 C ATOM 725 CD2 LEU A 50 32.889 5.808 24.938 1.00 1.00 C ATOM 0 H LEU A 50 35.375 9.332 24.528 1.00 1.00 H new ATOM 0 HA LEU A 50 34.895 8.057 27.126 1.00 1.00 H new ATOM 0 HB2 LEU A 50 35.778 6.855 24.460 1.00 1.00 H new ATOM 0 HB3 LEU A 50 35.173 5.979 25.852 1.00 1.00 H new ATOM 0 HG LEU A 50 33.175 7.892 25.411 1.00 1.00 H new ATOM 0 HD11 LEU A 50 32.664 7.705 22.993 1.00 1.00 H new ATOM 0 HD12 LEU A 50 34.236 8.497 23.255 1.00 1.00 H new ATOM 0 HD13 LEU A 50 34.171 6.793 22.744 1.00 1.00 H new ATOM 0 HD21 LEU A 50 31.868 5.951 24.585 1.00 1.00 H new ATOM 0 HD22 LEU A 50 33.376 5.040 24.337 1.00 1.00 H new ATOM 0 HD23 LEU A 50 32.872 5.496 25.982 1.00 1.00 H new ATOM 737 N TRP A 51 37.838 8.309 25.641 1.00 1.00 N ATOM 738 CA TRP A 51 39.275 8.236 25.879 1.00 1.00 C ATOM 739 C TRP A 51 39.639 8.947 27.178 1.00 1.00 C ATOM 740 O TRP A 51 40.202 8.343 28.091 1.00 1.00 O ATOM 741 CB TRP A 51 40.031 8.877 24.714 1.00 1.00 C ATOM 742 CG TRP A 51 41.192 9.656 25.242 1.00 1.00 C ATOM 743 CD1 TRP A 51 42.351 9.118 25.686 1.00 1.00 C ATOM 744 CD2 TRP A 51 41.328 11.099 25.388 1.00 1.00 C ATOM 745 NE1 TRP A 51 43.190 10.139 26.095 1.00 1.00 N ATOM 746 CE2 TRP A 51 42.605 11.378 25.932 1.00 1.00 C ATOM 747 CE3 TRP A 51 40.477 12.183 25.105 1.00 1.00 C ATOM 748 CZ2 TRP A 51 43.022 12.686 26.185 1.00 1.00 C ATOM 749 CZ3 TRP A 51 40.894 13.500 25.359 1.00 1.00 C ATOM 750 CH2 TRP A 51 42.163 13.750 25.898 1.00 1.00 C ATOM 0 H TRP A 51 37.577 8.637 24.711 1.00 1.00 H new ATOM 0 HA TRP A 51 39.558 7.187 25.961 1.00 1.00 H new ATOM 0 HB2 TRP A 51 40.379 8.107 24.025 1.00 1.00 H new ATOM 0 HB3 TRP A 51 39.366 9.532 24.151 1.00 1.00 H new ATOM 0 HD1 TRP A 51 42.583 8.064 25.716 1.00 1.00 H new ATOM 0 HE1 TRP A 51 44.127 9.994 26.471 1.00 1.00 H new ATOM 0 HE3 TRP A 51 39.497 12.001 24.690 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 44.001 12.874 26.600 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 40.233 14.325 25.138 1.00 1.00 H new ATOM 0 HH2 TRP A 51 42.477 14.765 26.092 1.00 1.00 H new ATOM 761 N THR A 52 39.316 10.234 27.253 1.00 1.00 N ATOM 762 CA THR A 52 39.614 11.018 28.446 1.00 1.00 C ATOM 763 C THR A 52 39.100 10.310 29.695 1.00 1.00 C ATOM 764 O THR A 52 39.815 10.188 30.690 1.00 1.00 O ATOM 765 CB THR A 52 38.969 12.401 28.338 1.00 1.00 C ATOM 766 OG1 THR A 52 38.632 12.867 29.637 1.00 1.00 O ATOM 767 CG2 THR A 52 37.704 12.311 27.483 1.00 1.00 C ATOM 0 H THR A 52 38.851 10.753 26.508 1.00 1.00 H new ATOM 0 HA THR A 52 40.696 11.128 28.524 1.00 1.00 H new ATOM 0 HB THR A 52 39.670 13.094 27.873 1.00 1.00 H new ATOM 0 HG1 THR A 52 38.220 13.754 29.570 1.00 1.00 H new ATOM 0 HG21 THR A 52 37.245 13.297 27.407 1.00 1.00 H new ATOM 0 HG22 THR A 52 37.963 11.953 26.486 1.00 1.00 H new ATOM 0 HG23 THR A 52 37.001 11.619 27.946 1.00 1.00 H new ATOM 775 N VAL A 53 37.856 9.847 29.637 1.00 1.00 N ATOM 776 CA VAL A 53 37.255 9.152 30.770 1.00 1.00 C ATOM 777 C VAL A 53 37.838 7.749 30.909 1.00 1.00 C ATOM 778 O VAL A 53 37.389 6.960 31.740 1.00 1.00 O ATOM 779 CB VAL A 53 35.740 9.062 30.584 1.00 1.00 C ATOM 780 CG1 VAL A 53 35.126 8.295 31.756 1.00 1.00 C ATOM 781 CG2 VAL A 53 35.149 10.472 30.533 1.00 1.00 C ATOM 0 H VAL A 53 37.248 9.939 28.824 1.00 1.00 H new ATOM 0 HA VAL A 53 37.476 9.716 31.676 1.00 1.00 H new ATOM 0 HB VAL A 53 35.519 8.540 29.653 1.00 1.00 H new ATOM 0 HG11 VAL A 53 34.046 8.231 31.623 1.00 1.00 H new ATOM 0 HG12 VAL A 53 35.547 7.290 31.794 1.00 1.00 H new ATOM 0 HG13 VAL A 53 35.347 8.816 32.688 1.00 1.00 H new ATOM 0 HG21 VAL A 53 34.069 10.409 30.400 1.00 1.00 H new ATOM 0 HG22 VAL A 53 35.371 10.993 31.464 1.00 1.00 H new ATOM 0 HG23 VAL A 53 35.586 11.020 29.698 1.00 1.00 H new ATOM 791 N PHE A 54 38.839 7.446 30.090 1.00 1.00 N ATOM 792 CA PHE A 54 39.476 6.134 30.130 1.00 1.00 C ATOM 793 C PHE A 54 40.688 6.155 31.055 1.00 1.00 C ATOM 794 O PHE A 54 41.161 5.109 31.498 1.00 1.00 O ATOM 795 CB PHE A 54 39.912 5.722 28.723 1.00 1.00 C ATOM 796 CG PHE A 54 39.961 4.216 28.632 1.00 1.00 C ATOM 797 CD1 PHE A 54 38.775 3.485 28.488 1.00 1.00 C ATOM 798 CD2 PHE A 54 41.191 3.550 28.690 1.00 1.00 C ATOM 799 CE1 PHE A 54 38.820 2.088 28.404 1.00 1.00 C ATOM 800 CE2 PHE A 54 41.236 2.153 28.606 1.00 1.00 C ATOM 801 CZ PHE A 54 40.050 1.422 28.462 1.00 1.00 C ATOM 0 H PHE A 54 39.225 8.085 29.395 1.00 1.00 H new ATOM 0 HA PHE A 54 38.754 5.412 30.512 1.00 1.00 H new ATOM 0 HB2 PHE A 54 39.216 6.119 27.984 1.00 1.00 H new ATOM 0 HB3 PHE A 54 40.892 6.143 28.496 1.00 1.00 H new ATOM 0 HD1 PHE A 54 37.826 3.999 28.442 1.00 1.00 H new ATOM 0 HD2 PHE A 54 42.106 4.114 28.800 1.00 1.00 H new ATOM 0 HE1 PHE A 54 37.905 1.524 28.294 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.185 1.639 28.652 1.00 1.00 H new ATOM 0 HZ PHE A 54 40.084 0.345 28.396 1.00 1.00 H new ATOM 811 N ARG A 55 41.185 7.354 31.344 1.00 1.00 N ATOM 812 CA ARG A 55 42.343 7.499 32.218 1.00 1.00 C ATOM 813 C ARG A 55 41.901 7.774 33.652 1.00 1.00 C ATOM 814 O ARG A 55 42.714 7.761 34.576 1.00 1.00 O ATOM 815 CB ARG A 55 43.229 8.645 31.726 1.00 1.00 C ATOM 816 CG ARG A 55 43.625 8.396 30.269 1.00 1.00 C ATOM 817 CD ARG A 55 42.748 9.246 29.349 1.00 1.00 C ATOM 818 NE ARG A 55 43.200 10.632 29.360 1.00 1.00 N ATOM 819 CZ ARG A 55 44.352 10.983 28.797 1.00 1.00 C ATOM 820 NH1 ARG A 55 45.099 10.081 28.223 1.00 1.00 N ATOM 821 NH2 ARG A 55 44.735 12.230 28.819 1.00 1.00 N ATOM 0 H ARG A 55 40.807 8.232 30.989 1.00 1.00 H new ATOM 0 HA ARG A 55 42.909 6.568 32.197 1.00 1.00 H new ATOM 0 HB2 ARG A 55 42.697 9.593 31.812 1.00 1.00 H new ATOM 0 HB3 ARG A 55 44.121 8.722 32.348 1.00 1.00 H new ATOM 0 HG2 ARG A 55 44.676 8.645 30.119 1.00 1.00 H new ATOM 0 HG3 ARG A 55 43.510 7.340 30.025 1.00 1.00 H new ATOM 0 HD2 ARG A 55 42.785 8.852 28.333 1.00 1.00 H new ATOM 0 HD3 ARG A 55 41.709 9.192 29.674 1.00 1.00 H new ATOM 0 HE ARG A 55 42.623 11.344 29.807 1.00 1.00 H new ATOM 0 HH11 ARG A 55 44.799 9.106 28.206 1.00 1.00 H new ATOM 0 HH12 ARG A 55 45.983 10.350 27.791 1.00 1.00 H new ATOM 0 HH21 ARG A 55 44.151 12.935 29.268 1.00 1.00 H new ATOM 0 HH22 ARG A 55 45.619 12.500 28.387 1.00 1.00 H new ATOM 835 N LYS A 56 40.608 8.023 33.829 1.00 1.00 N ATOM 836 CA LYS A 56 40.068 8.300 35.155 1.00 1.00 C ATOM 837 C LYS A 56 39.475 7.036 35.767 1.00 1.00 C ATOM 838 O LYS A 56 40.090 6.406 36.627 1.00 1.00 O ATOM 839 CB LYS A 56 38.989 9.381 35.065 1.00 1.00 C ATOM 840 CG LYS A 56 39.554 10.609 34.350 1.00 1.00 C ATOM 841 CD LYS A 56 38.493 11.710 34.308 1.00 1.00 C ATOM 842 CE LYS A 56 38.986 12.862 33.432 1.00 1.00 C ATOM 843 NZ LYS A 56 38.441 12.706 32.053 1.00 1.00 N ATOM 0 H LYS A 56 39.919 8.039 33.077 1.00 1.00 H new ATOM 0 HA LYS A 56 40.881 8.651 35.791 1.00 1.00 H new ATOM 0 HB2 LYS A 56 38.122 9.000 34.525 1.00 1.00 H new ATOM 0 HB3 LYS A 56 38.648 9.654 36.064 1.00 1.00 H new ATOM 0 HG2 LYS A 56 40.444 10.967 34.868 1.00 1.00 H new ATOM 0 HG3 LYS A 56 39.859 10.345 33.337 1.00 1.00 H new ATOM 0 HD2 LYS A 56 37.558 11.313 33.913 1.00 1.00 H new ATOM 0 HD3 LYS A 56 38.286 12.069 35.316 1.00 1.00 H new ATOM 0 HE2 LYS A 56 38.669 13.816 33.854 1.00 1.00 H new ATOM 0 HE3 LYS A 56 40.076 12.872 33.405 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 39.137 13.054 31.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 38.244 11.702 31.869 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 37.561 13.254 31.963 1.00 1.00 H new