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 Single : A 9 ASN :FLIP amide:sc= -0.712 F(o=-2.2,f=-0.71) 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= -1.09 X(o=-1.1,f=-0.85) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 105:sc= 1.24 USER MOD Single : A 19 CYS SG : rot 12:sc= 0.92 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+ -164:sc= -0.112 (180deg=-0.679) USER MOD Single : A 26 SER OG : rot -19:sc= 0.2 USER MOD Single : A 27 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.485 X(o=-0.48,f=-0.73) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 79.304 24.255 -6.296 1.00 1.00 N ATOM 58 CA GLY A 5 80.404 23.339 -6.573 1.00 1.00 C ATOM 59 C GLY A 5 80.281 22.746 -7.972 1.00 1.00 C ATOM 60 O GLY A 5 79.181 22.450 -8.436 1.00 1.00 O ATOM 0 HA2 GLY A 5 81.353 23.866 -6.480 1.00 1.00 H new ATOM 0 HA3 GLY A 5 80.410 22.538 -5.834 1.00 1.00 H new ATOM 64 N ASP A 6 81.419 22.576 -8.639 1.00 1.00 N ATOM 65 CA ASP A 6 81.426 22.017 -9.985 1.00 1.00 C ATOM 66 C ASP A 6 80.734 20.658 -10.005 1.00 1.00 C ATOM 67 O ASP A 6 80.083 20.267 -9.036 1.00 1.00 O ATOM 68 CB ASP A 6 82.865 21.867 -10.481 1.00 1.00 C ATOM 69 CG ASP A 6 83.021 22.535 -11.843 1.00 1.00 C ATOM 70 OD1 ASP A 6 83.273 23.728 -11.870 1.00 1.00 O ATOM 71 OD2 ASP A 6 82.885 21.844 -12.839 1.00 1.00 O ATOM 0 H ASP A 6 82.340 22.815 -8.272 1.00 1.00 H new ATOM 0 HA ASP A 6 80.885 22.697 -10.643 1.00 1.00 H new ATOM 0 HB2 ASP A 6 83.553 22.317 -9.766 1.00 1.00 H new ATOM 0 HB3 ASP A 6 83.125 20.811 -10.553 1.00 1.00 H new ATOM 76 N PHE A 7 80.881 19.941 -11.116 1.00 1.00 N ATOM 77 CA PHE A 7 80.265 18.626 -11.250 1.00 1.00 C ATOM 78 C PHE A 7 78.745 18.735 -11.181 1.00 1.00 C ATOM 79 O PHE A 7 78.055 18.562 -12.185 1.00 1.00 O ATOM 80 CB PHE A 7 80.764 17.699 -10.139 1.00 1.00 C ATOM 81 CG PHE A 7 82.244 17.911 -9.933 1.00 1.00 C ATOM 82 CD1 PHE A 7 83.162 17.371 -10.842 1.00 1.00 C ATOM 83 CD2 PHE A 7 82.700 18.648 -8.834 1.00 1.00 C ATOM 84 CE1 PHE A 7 84.535 17.567 -10.650 1.00 1.00 C ATOM 85 CE2 PHE A 7 84.072 18.844 -8.642 1.00 1.00 C ATOM 86 CZ PHE A 7 84.990 18.303 -9.550 1.00 1.00 C ATOM 0 H PHE A 7 81.416 20.246 -11.929 1.00 1.00 H new ATOM 0 HA PHE A 7 80.544 18.213 -12.220 1.00 1.00 H new ATOM 0 HB2 PHE A 7 80.225 17.900 -9.213 1.00 1.00 H new ATOM 0 HB3 PHE A 7 80.568 16.660 -10.403 1.00 1.00 H new ATOM 0 HD1 PHE A 7 82.811 16.803 -11.691 1.00 1.00 H new ATOM 0 HD2 PHE A 7 81.992 19.066 -8.133 1.00 1.00 H new ATOM 0 HE1 PHE A 7 85.243 17.150 -11.351 1.00 1.00 H new ATOM 0 HE2 PHE A 7 84.423 19.413 -7.793 1.00 1.00 H new ATOM 0 HZ PHE A 7 86.049 18.454 -9.402 1.00 1.00 H new ATOM 96 N ASP A 8 78.232 19.024 -9.990 1.00 1.00 N ATOM 97 CA ASP A 8 76.792 19.154 -9.801 1.00 1.00 C ATOM 98 C ASP A 8 76.226 20.231 -10.721 1.00 1.00 C ATOM 99 O ASP A 8 75.979 21.359 -10.293 1.00 1.00 O ATOM 100 CB ASP A 8 76.486 19.510 -8.345 1.00 1.00 C ATOM 101 CG ASP A 8 76.358 18.239 -7.513 1.00 1.00 C ATOM 102 OD1 ASP A 8 77.077 17.295 -7.794 1.00 1.00 O ATOM 103 OD2 ASP A 8 75.541 18.229 -6.605 1.00 1.00 O ATOM 0 H ASP A 8 78.787 19.172 -9.147 1.00 1.00 H new ATOM 0 HA ASP A 8 76.325 18.200 -10.047 1.00 1.00 H new ATOM 0 HB2 ASP A 8 77.279 20.140 -7.942 1.00 1.00 H new ATOM 0 HB3 ASP A 8 75.562 20.086 -8.289 1.00 1.00 H new ATOM 108 N ASN A 9 76.023 19.876 -11.984 1.00 1.00 N ATOM 109 CA ASN A 9 75.485 20.822 -12.956 1.00 1.00 C ATOM 110 C ASN A 9 73.960 20.820 -12.918 1.00 1.00 C ATOM 111 O ASN A 9 73.311 21.565 -13.653 1.00 1.00 O ATOM 112 CB ASN A 9 75.963 20.456 -14.362 1.00 1.00 C ATOM 113 CG ASN A 9 75.792 18.959 -14.598 1.00 1.00 C ATOM 114 OD1 ASN A 9 74.593 18.458 -14.708 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 76.778 18.226 -14.684 1.00 1.00 N flip ATOM 0 H ASN A 9 76.221 18.948 -12.358 1.00 1.00 H new ATOM 0 HA ASN A 9 75.842 21.819 -12.700 1.00 1.00 H new ATOM 0 HB2 ASN A 9 75.396 21.017 -15.105 1.00 1.00 H new ATOM 0 HB3 ASN A 9 77.010 20.734 -14.483 1.00 1.00 H new ATOM 0 HD21 ASN A 9 77.715 18.619 -14.598 1.00 1.00 H new ATOM 0 HD22 ASN A 9 76.657 17.225 -14.842 1.00 1.00 H new ATOM 122 N TYR A 10 73.396 19.978 -12.059 1.00 1.00 N ATOM 123 CA TYR A 10 71.945 19.887 -11.934 1.00 1.00 C ATOM 124 C TYR A 10 71.327 19.369 -13.229 1.00 1.00 C ATOM 125 O TYR A 10 70.825 18.246 -13.281 1.00 1.00 O ATOM 126 CB TYR A 10 71.363 21.262 -11.602 1.00 1.00 C ATOM 127 CG TYR A 10 72.281 21.981 -10.643 1.00 1.00 C ATOM 128 CD1 TYR A 10 72.351 21.574 -9.305 1.00 1.00 C ATOM 129 CD2 TYR A 10 73.062 23.052 -11.091 1.00 1.00 C ATOM 130 CE1 TYR A 10 73.202 22.241 -8.415 1.00 1.00 C ATOM 131 CE2 TYR A 10 73.914 23.718 -10.201 1.00 1.00 C ATOM 132 CZ TYR A 10 73.984 23.312 -8.863 1.00 1.00 C ATOM 133 OH TYR A 10 74.823 23.968 -7.985 1.00 1.00 O ATOM 0 H TYR A 10 73.916 19.353 -11.443 1.00 1.00 H new ATOM 0 HA TYR A 10 71.711 19.190 -11.129 1.00 1.00 H new ATOM 0 HB2 TYR A 10 71.242 21.847 -12.514 1.00 1.00 H new ATOM 0 HB3 TYR A 10 70.373 21.152 -11.160 1.00 1.00 H new ATOM 0 HD1 TYR A 10 71.749 20.746 -8.960 1.00 1.00 H new ATOM 0 HD2 TYR A 10 73.008 23.365 -12.123 1.00 1.00 H new ATOM 0 HE1 TYR A 10 73.255 21.929 -7.382 1.00 1.00 H new ATOM 0 HE2 TYR A 10 74.517 24.545 -10.547 1.00 1.00 H new ATOM 0 HH TYR A 10 75.295 24.686 -8.457 1.00 1.00 H new ATOM 143 N TYR A 11 71.368 20.194 -14.270 1.00 1.00 N ATOM 144 CA TYR A 11 70.808 19.809 -15.562 1.00 1.00 C ATOM 145 C TYR A 11 69.307 19.559 -15.443 1.00 1.00 C ATOM 146 O TYR A 11 68.497 20.346 -15.932 1.00 1.00 O ATOM 147 CB TYR A 11 71.501 18.546 -16.079 1.00 1.00 C ATOM 148 CG TYR A 11 72.115 18.827 -17.430 1.00 1.00 C ATOM 149 CD1 TYR A 11 73.292 19.577 -17.521 1.00 1.00 C ATOM 150 CD2 TYR A 11 71.506 18.336 -18.590 1.00 1.00 C ATOM 151 CE1 TYR A 11 73.861 19.837 -18.773 1.00 1.00 C ATOM 152 CE2 TYR A 11 72.074 18.595 -19.843 1.00 1.00 C ATOM 153 CZ TYR A 11 73.252 19.347 -19.935 1.00 1.00 C ATOM 154 OH TYR A 11 73.813 19.602 -21.170 1.00 1.00 O ATOM 0 H TYR A 11 71.780 21.127 -14.246 1.00 1.00 H new ATOM 0 HA TYR A 11 70.973 20.625 -16.265 1.00 1.00 H new ATOM 0 HB2 TYR A 11 72.271 18.227 -15.377 1.00 1.00 H new ATOM 0 HB3 TYR A 11 70.783 17.730 -16.157 1.00 1.00 H new ATOM 0 HD1 TYR A 11 73.762 19.955 -16.625 1.00 1.00 H new ATOM 0 HD2 TYR A 11 70.597 17.757 -18.519 1.00 1.00 H new ATOM 0 HE1 TYR A 11 74.770 20.416 -18.843 1.00 1.00 H new ATOM 0 HE2 TYR A 11 71.604 18.215 -20.738 1.00 1.00 H new ATOM 0 HH TYR A 11 73.265 19.189 -21.870 1.00 1.00 H new ATOM 164 N GLY A 12 68.943 18.460 -14.790 1.00 1.00 N ATOM 165 CA GLY A 12 67.536 18.120 -14.613 1.00 1.00 C ATOM 166 C GLY A 12 66.791 19.250 -13.911 1.00 1.00 C ATOM 167 O GLY A 12 65.875 19.847 -14.476 1.00 1.00 O ATOM 0 H GLY A 12 69.597 17.795 -14.378 1.00 1.00 H new ATOM 0 HA2 GLY A 12 67.079 17.925 -15.583 1.00 1.00 H new ATOM 0 HA3 GLY A 12 67.449 17.203 -14.030 1.00 1.00 H new ATOM 171 N ALA A 13 67.193 19.539 -12.678 1.00 1.00 N ATOM 172 CA ALA A 13 66.559 20.601 -11.908 1.00 1.00 C ATOM 173 C ALA A 13 65.046 20.573 -12.095 1.00 1.00 C ATOM 174 O ALA A 13 64.333 19.882 -11.367 1.00 1.00 O ATOM 175 CB ALA A 13 67.106 21.960 -12.349 1.00 1.00 C ATOM 0 H ALA A 13 67.950 19.056 -12.194 1.00 1.00 H new ATOM 0 HA ALA A 13 66.783 20.443 -10.853 1.00 1.00 H new ATOM 0 HB1 ALA A 13 66.628 22.750 -11.770 1.00 1.00 H new ATOM 0 HB2 ALA A 13 68.183 21.990 -12.184 1.00 1.00 H new ATOM 0 HB3 ALA A 13 66.897 22.110 -13.408 1.00 1.00 H new ATOM 181 N ASP A 14 64.561 21.328 -13.076 1.00 1.00 N ATOM 182 CA ASP A 14 63.131 21.381 -13.351 1.00 1.00 C ATOM 183 C ASP A 14 62.577 19.979 -13.584 1.00 1.00 C ATOM 184 O ASP A 14 61.525 19.620 -13.056 1.00 1.00 O ATOM 185 CB ASP A 14 62.867 22.248 -14.582 1.00 1.00 C ATOM 186 CG ASP A 14 64.084 22.232 -15.501 1.00 1.00 C ATOM 187 OD1 ASP A 14 64.237 21.266 -16.231 1.00 1.00 O ATOM 188 OD2 ASP A 14 64.845 23.184 -15.461 1.00 1.00 O ATOM 0 H ASP A 14 65.134 21.908 -13.690 1.00 1.00 H new ATOM 0 HA ASP A 14 62.630 21.817 -12.487 1.00 1.00 H new ATOM 0 HB2 ASP A 14 61.992 21.878 -15.117 1.00 1.00 H new ATOM 0 HB3 ASP A 14 62.645 23.270 -14.276 1.00 1.00 H new ATOM 193 N ASN A 15 63.293 19.191 -14.380 1.00 1.00 N ATOM 194 CA ASN A 15 62.864 17.830 -14.678 1.00 1.00 C ATOM 195 C ASN A 15 62.577 17.065 -13.389 1.00 1.00 C ATOM 196 O ASN A 15 61.636 16.273 -13.323 1.00 1.00 O ATOM 197 CB ASN A 15 63.948 17.103 -15.474 1.00 1.00 C ATOM 198 CG ASN A 15 63.972 17.615 -16.911 1.00 1.00 C ATOM 199 OD1 ASN A 15 62.920 17.810 -17.519 1.00 1.00 O ATOM 200 ND2 ASN A 15 65.118 17.846 -17.492 1.00 1.00 N ATOM 0 H ASN A 15 64.167 19.469 -14.827 1.00 1.00 H new ATOM 0 HA ASN A 15 61.950 17.878 -15.270 1.00 1.00 H new ATOM 0 HB2 ASN A 15 64.920 17.260 -15.007 1.00 1.00 H new ATOM 0 HB3 ASN A 15 63.759 16.030 -15.465 1.00 1.00 H new ATOM 0 HD21 ASN A 15 65.143 18.189 -18.452 1.00 1.00 H new ATOM 0 HD22 ASN A 15 65.988 17.684 -16.986 1.00 1.00 H new ATOM 207 N GLN A 16 63.393 17.306 -12.369 1.00 1.00 N ATOM 208 CA GLN A 16 63.218 16.634 -11.088 1.00 1.00 C ATOM 209 C GLN A 16 62.525 17.556 -10.089 1.00 1.00 C ATOM 210 O GLN A 16 62.899 17.611 -8.917 1.00 1.00 O ATOM 211 CB GLN A 16 64.577 16.205 -10.531 1.00 1.00 C ATOM 212 CG GLN A 16 65.414 15.581 -11.650 1.00 1.00 C ATOM 213 CD GLN A 16 66.624 14.866 -11.059 1.00 1.00 C ATOM 214 OE1 GLN A 16 67.671 15.480 -10.858 1.00 1.00 O ATOM 215 NE2 GLN A 16 66.541 13.596 -10.768 1.00 1.00 N ATOM 0 H GLN A 16 64.177 17.957 -12.404 1.00 1.00 H new ATOM 0 HA GLN A 16 62.596 15.753 -11.245 1.00 1.00 H new ATOM 0 HB2 GLN A 16 65.097 17.065 -10.110 1.00 1.00 H new ATOM 0 HB3 GLN A 16 64.440 15.488 -9.722 1.00 1.00 H new ATOM 0 HG2 GLN A 16 64.808 14.877 -12.220 1.00 1.00 H new ATOM 0 HG3 GLN A 16 65.742 16.354 -12.345 1.00 1.00 H new ATOM 0 HE21 GLN A 16 65.671 13.090 -10.936 1.00 1.00 H new ATOM 0 HE22 GLN A 16 67.346 13.110 -10.373 1.00 1.00 H new ATOM 224 N SER A 17 61.515 18.279 -10.561 1.00 1.00 N ATOM 225 CA SER A 17 60.777 19.196 -9.700 1.00 1.00 C ATOM 226 C SER A 17 59.282 19.124 -9.997 1.00 1.00 C ATOM 227 O SER A 17 58.873 19.024 -11.154 1.00 1.00 O ATOM 228 CB SER A 17 61.273 20.626 -9.913 1.00 1.00 C ATOM 229 OG SER A 17 62.663 20.689 -9.620 1.00 1.00 O ATOM 0 H SER A 17 61.190 18.249 -11.528 1.00 1.00 H new ATOM 0 HA SER A 17 60.944 18.905 -8.663 1.00 1.00 H new ATOM 0 HB2 SER A 17 61.092 20.937 -10.942 1.00 1.00 H new ATOM 0 HB3 SER A 17 60.723 21.314 -9.271 1.00 1.00 H new ATOM 0 HG SER A 17 63.172 20.738 -10.456 1.00 1.00 H new ATOM 235 N GLU A 18 58.472 19.176 -8.945 1.00 1.00 N ATOM 236 CA GLU A 18 57.024 19.115 -9.105 1.00 1.00 C ATOM 237 C GLU A 18 56.547 20.192 -10.076 1.00 1.00 C ATOM 238 O GLU A 18 56.125 21.271 -9.662 1.00 1.00 O ATOM 239 CB GLU A 18 56.340 19.308 -7.750 1.00 1.00 C ATOM 240 CG GLU A 18 56.836 18.241 -6.772 1.00 1.00 C ATOM 241 CD GLU A 18 56.186 18.443 -5.407 1.00 1.00 C ATOM 242 OE1 GLU A 18 56.351 19.514 -4.847 1.00 1.00 O ATOM 243 OE2 GLU A 18 55.534 17.523 -4.941 1.00 1.00 O ATOM 0 H GLU A 18 58.790 19.260 -7.980 1.00 1.00 H new ATOM 0 HA GLU A 18 56.762 18.136 -9.507 1.00 1.00 H new ATOM 0 HB2 GLU A 18 56.556 20.303 -7.360 1.00 1.00 H new ATOM 0 HB3 GLU A 18 55.258 19.238 -7.863 1.00 1.00 H new ATOM 0 HG2 GLU A 18 56.599 17.248 -7.153 1.00 1.00 H new ATOM 0 HG3 GLU A 18 57.921 18.297 -6.679 1.00 1.00 H new ATOM 250 N CYS A 19 56.616 19.890 -11.367 1.00 1.00 N ATOM 251 CA CYS A 19 56.189 20.839 -12.388 1.00 1.00 C ATOM 252 C CYS A 19 54.668 20.869 -12.490 1.00 1.00 C ATOM 253 O CYS A 19 54.100 20.573 -13.543 1.00 1.00 O ATOM 254 CB CYS A 19 56.786 20.454 -13.743 1.00 1.00 C ATOM 255 SG CYS A 19 56.450 18.706 -14.074 1.00 1.00 S ATOM 0 H CYS A 19 56.961 19.002 -11.730 1.00 1.00 H new ATOM 0 HA CYS A 19 56.542 21.831 -12.105 1.00 1.00 H new ATOM 0 HB2 CYS A 19 56.357 21.074 -14.531 1.00 1.00 H new ATOM 0 HB3 CYS A 19 57.861 20.636 -13.744 1.00 1.00 H new ATOM 0 HG CYS A 19 55.571 18.265 -13.224 1.00 1.00 H new ATOM 261 N GLU A 20 54.012 21.225 -11.390 1.00 1.00 N ATOM 262 CA GLU A 20 52.556 21.289 -11.368 1.00 1.00 C ATOM 263 C GLU A 20 51.955 20.098 -12.106 1.00 1.00 C ATOM 264 O GLU A 20 51.044 20.254 -12.919 1.00 1.00 O ATOM 265 CB GLU A 20 52.079 22.589 -12.020 1.00 1.00 C ATOM 266 CG GLU A 20 52.716 23.782 -11.305 1.00 1.00 C ATOM 267 CD GLU A 20 52.193 23.872 -9.874 1.00 1.00 C ATOM 268 OE1 GLU A 20 51.181 24.523 -9.675 1.00 1.00 O ATOM 269 OE2 GLU A 20 52.812 23.288 -9.001 1.00 1.00 O ATOM 0 H GLU A 20 54.462 21.472 -10.509 1.00 1.00 H new ATOM 0 HA GLU A 20 52.227 21.262 -10.329 1.00 1.00 H new ATOM 0 HB2 GLU A 20 52.348 22.599 -13.076 1.00 1.00 H new ATOM 0 HB3 GLU A 20 50.992 22.658 -11.967 1.00 1.00 H new ATOM 0 HG2 GLU A 20 53.801 23.676 -11.299 1.00 1.00 H new ATOM 0 HG3 GLU A 20 52.489 24.703 -11.843 1.00 1.00 H new ATOM 276 N TYR A 21 52.473 18.907 -11.818 1.00 1.00 N ATOM 277 CA TYR A 21 51.979 17.695 -12.461 1.00 1.00 C ATOM 278 C TYR A 21 52.012 16.520 -11.489 1.00 1.00 C ATOM 279 O TYR A 21 52.045 15.361 -11.902 1.00 1.00 O ATOM 280 CB TYR A 21 52.835 17.369 -13.687 1.00 1.00 C ATOM 281 CG TYR A 21 53.986 16.482 -13.275 1.00 1.00 C ATOM 282 CD1 TYR A 21 54.788 16.840 -12.184 1.00 1.00 C ATOM 283 CD2 TYR A 21 54.252 15.303 -13.982 1.00 1.00 C ATOM 284 CE1 TYR A 21 55.855 16.018 -11.801 1.00 1.00 C ATOM 285 CE2 TYR A 21 55.318 14.482 -13.597 1.00 1.00 C ATOM 286 CZ TYR A 21 56.120 14.839 -12.507 1.00 1.00 C ATOM 287 OH TYR A 21 57.172 14.030 -12.130 1.00 1.00 O ATOM 0 H TYR A 21 53.228 18.756 -11.149 1.00 1.00 H new ATOM 0 HA TYR A 21 50.948 17.866 -12.772 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.230 16.870 -14.444 1.00 1.00 H new ATOM 0 HB3 TYR A 21 53.212 18.288 -14.135 1.00 1.00 H new ATOM 0 HD1 TYR A 21 54.584 17.749 -11.638 1.00 1.00 H new ATOM 0 HD2 TYR A 21 53.635 15.027 -14.824 1.00 1.00 H new ATOM 0 HE1 TYR A 21 56.474 16.294 -10.960 1.00 1.00 H new ATOM 0 HE2 TYR A 21 55.522 13.572 -14.142 1.00 1.00 H new ATOM 0 HH TYR A 21 57.216 13.252 -12.724 1.00 1.00 H new ATOM 297 N THR A 22 52.003 16.828 -10.196 1.00 1.00 N ATOM 298 CA THR A 22 52.032 15.788 -9.174 1.00 1.00 C ATOM 299 C THR A 22 51.680 16.369 -7.808 1.00 1.00 C ATOM 300 O THR A 22 51.037 15.711 -6.990 1.00 1.00 O ATOM 301 CB THR A 22 53.422 15.150 -9.116 1.00 1.00 C ATOM 302 OG1 THR A 22 53.349 13.924 -8.403 1.00 1.00 O ATOM 303 CG2 THR A 22 54.392 16.098 -8.410 1.00 1.00 C ATOM 0 H THR A 22 51.976 17.781 -9.833 1.00 1.00 H new ATOM 0 HA THR A 22 51.295 15.029 -9.435 1.00 1.00 H new ATOM 0 HB THR A 22 53.778 14.960 -10.129 1.00 1.00 H new ATOM 0 HG1 THR A 22 54.238 13.513 -8.366 1.00 1.00 H new ATOM 0 HG21 THR A 22 55.381 15.642 -8.369 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.447 17.038 -8.960 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.040 16.291 -7.397 1.00 1.00 H new ATOM 311 N ASP A 23 52.107 17.604 -7.568 1.00 1.00 N ATOM 312 CA ASP A 23 51.833 18.263 -6.296 1.00 1.00 C ATOM 313 C ASP A 23 50.351 18.603 -6.178 1.00 1.00 C ATOM 314 O ASP A 23 49.779 18.557 -5.089 1.00 1.00 O ATOM 315 CB ASP A 23 52.663 19.544 -6.181 1.00 1.00 C ATOM 316 CG ASP A 23 52.237 20.332 -4.947 1.00 1.00 C ATOM 317 OD1 ASP A 23 52.473 19.851 -3.851 1.00 1.00 O ATOM 318 OD2 ASP A 23 51.681 21.405 -5.116 1.00 1.00 O ATOM 0 H ASP A 23 52.640 18.166 -8.232 1.00 1.00 H new ATOM 0 HA ASP A 23 52.104 17.582 -5.490 1.00 1.00 H new ATOM 0 HB2 ASP A 23 53.722 19.296 -6.117 1.00 1.00 H new ATOM 0 HB3 ASP A 23 52.532 20.154 -7.075 1.00 1.00 H new ATOM 323 N TRP A 24 49.735 18.945 -7.304 1.00 1.00 N ATOM 324 CA TRP A 24 48.318 19.290 -7.313 1.00 1.00 C ATOM 325 C TRP A 24 47.473 18.087 -7.722 1.00 1.00 C ATOM 326 O TRP A 24 46.455 17.792 -7.097 1.00 1.00 O ATOM 327 CB TRP A 24 48.067 20.445 -8.285 1.00 1.00 C ATOM 328 CG TRP A 24 47.955 19.911 -9.676 1.00 1.00 C ATOM 329 CD1 TRP A 24 49.001 19.601 -10.477 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.751 19.616 -10.444 1.00 1.00 C ATOM 331 NE1 TRP A 24 48.516 19.136 -11.686 1.00 1.00 N ATOM 332 CE2 TRP A 24 47.136 19.127 -11.714 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.378 19.726 -10.163 1.00 1.00 C ATOM 334 CZ2 TRP A 24 46.190 18.759 -12.673 1.00 1.00 C ATOM 335 CZ3 TRP A 24 44.423 19.357 -11.125 1.00 1.00 C ATOM 336 CH2 TRP A 24 44.829 18.874 -12.378 1.00 1.00 C ATOM 0 H TRP A 24 50.190 18.991 -8.216 1.00 1.00 H new ATOM 0 HA TRP A 24 48.033 19.593 -6.306 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.153 20.972 -8.012 1.00 1.00 H new ATOM 0 HB3 TRP A 24 48.881 21.167 -8.226 1.00 1.00 H new ATOM 0 HD1 TRP A 24 50.044 19.700 -10.215 1.00 1.00 H new ATOM 0 HE1 TRP A 24 49.106 18.836 -12.462 1.00 1.00 H new ATOM 0 HE3 TRP A 24 45.055 20.097 -9.201 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 46.508 18.388 -13.636 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 43.371 19.446 -10.899 1.00 1.00 H new ATOM 0 HH2 TRP A 24 44.091 18.591 -13.114 1.00 1.00 H new ATOM 347 N LYS A 25 47.908 17.397 -8.773 1.00 1.00 N ATOM 348 CA LYS A 25 47.197 16.228 -9.264 1.00 1.00 C ATOM 349 C LYS A 25 45.685 16.438 -9.197 1.00 1.00 C ATOM 350 O LYS A 25 45.078 16.929 -10.149 1.00 1.00 O ATOM 351 CB LYS A 25 47.594 15.000 -8.445 1.00 1.00 C ATOM 352 CG LYS A 25 46.863 13.778 -8.992 1.00 1.00 C ATOM 353 CD LYS A 25 47.860 12.637 -9.209 1.00 1.00 C ATOM 354 CE LYS A 25 48.756 12.960 -10.408 1.00 1.00 C ATOM 355 NZ LYS A 25 50.182 12.744 -10.036 1.00 1.00 N ATOM 0 H LYS A 25 48.750 17.630 -9.299 1.00 1.00 H new ATOM 0 HA LYS A 25 47.471 16.071 -10.307 1.00 1.00 H new ATOM 0 HB2 LYS A 25 48.672 14.847 -8.495 1.00 1.00 H new ATOM 0 HB3 LYS A 25 47.342 15.150 -7.395 1.00 1.00 H new ATOM 0 HG2 LYS A 25 46.084 13.466 -8.296 1.00 1.00 H new ATOM 0 HG3 LYS A 25 46.370 14.027 -9.932 1.00 1.00 H new ATOM 0 HD2 LYS A 25 48.468 12.497 -8.315 1.00 1.00 H new ATOM 0 HD3 LYS A 25 47.327 11.702 -9.382 1.00 1.00 H new ATOM 0 HE2 LYS A 25 48.490 12.327 -11.255 1.00 1.00 H new ATOM 0 HE3 LYS A 25 48.603 13.993 -10.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 50.797 13.210 -10.733 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.360 13.147 -9.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 50.386 11.724 -10.021 1.00 1.00 H new ATOM 369 N SER A 26 45.083 16.063 -8.073 1.00 1.00 N ATOM 370 CA SER A 26 43.643 16.217 -7.900 1.00 1.00 C ATOM 371 C SER A 26 42.888 15.304 -8.861 1.00 1.00 C ATOM 372 O SER A 26 42.614 15.677 -10.001 1.00 1.00 O ATOM 373 CB SER A 26 43.237 17.670 -8.146 1.00 1.00 C ATOM 374 OG SER A 26 44.245 18.531 -7.636 1.00 1.00 O ATOM 0 H SER A 26 45.566 15.653 -7.273 1.00 1.00 H new ATOM 0 HA SER A 26 43.388 15.940 -6.877 1.00 1.00 H new ATOM 0 HB2 SER A 26 43.098 17.845 -9.213 1.00 1.00 H new ATOM 0 HB3 SER A 26 42.283 17.880 -7.662 1.00 1.00 H new ATOM 0 HG SER A 26 44.803 18.039 -6.998 1.00 1.00 H new ATOM 380 N SER A 27 42.556 14.106 -8.392 1.00 1.00 N ATOM 381 CA SER A 27 41.833 13.146 -9.218 1.00 1.00 C ATOM 382 C SER A 27 40.699 13.833 -9.974 1.00 1.00 C ATOM 383 O SER A 27 40.695 13.871 -11.204 1.00 1.00 O ATOM 384 CB SER A 27 41.262 12.030 -8.342 1.00 1.00 C ATOM 385 OG SER A 27 40.336 11.265 -9.103 1.00 1.00 O ATOM 0 H SER A 27 42.774 13.778 -7.451 1.00 1.00 H new ATOM 0 HA SER A 27 42.530 12.721 -9.941 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.066 11.391 -7.976 1.00 1.00 H new ATOM 0 HB3 SER A 27 40.769 12.454 -7.467 1.00 1.00 H new ATOM 0 HG SER A 27 39.969 10.547 -8.546 1.00 1.00 H new ATOM 391 N GLY A 28 39.740 14.373 -9.228 1.00 1.00 N ATOM 392 CA GLY A 28 38.605 15.057 -9.839 1.00 1.00 C ATOM 393 C GLY A 28 38.288 16.353 -9.102 1.00 1.00 C ATOM 394 O GLY A 28 37.266 16.987 -9.358 1.00 1.00 O ATOM 0 H GLY A 28 39.725 14.351 -8.208 1.00 1.00 H new ATOM 0 HA2 GLY A 28 38.826 15.273 -10.884 1.00 1.00 H new ATOM 0 HA3 GLY A 28 37.732 14.404 -9.826 1.00 1.00 H new ATOM 398 N ALA A 29 39.173 16.738 -8.187 1.00 1.00 N ATOM 399 CA ALA A 29 38.986 17.961 -7.412 1.00 1.00 C ATOM 400 C ALA A 29 38.029 17.723 -6.244 1.00 1.00 C ATOM 401 O ALA A 29 37.029 18.425 -6.090 1.00 1.00 O ATOM 402 CB ALA A 29 38.448 19.079 -8.312 1.00 1.00 C ATOM 0 H ALA A 29 40.025 16.223 -7.964 1.00 1.00 H new ATOM 0 HA ALA A 29 39.953 18.262 -7.009 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.312 19.986 -7.723 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.157 19.271 -9.117 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.491 18.776 -8.737 1.00 1.00 H new ATOM 408 N LEU A 30 38.350 16.734 -5.416 1.00 1.00 N ATOM 409 CA LEU A 30 37.519 16.419 -4.261 1.00 1.00 C ATOM 410 C LEU A 30 38.381 15.968 -3.086 1.00 1.00 C ATOM 411 O LEU A 30 37.943 15.179 -2.248 1.00 1.00 O ATOM 412 CB LEU A 30 36.502 15.322 -4.607 1.00 1.00 C ATOM 413 CG LEU A 30 37.220 14.068 -5.124 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.209 12.928 -5.262 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.858 14.340 -6.493 1.00 1.00 C ATOM 0 H LEU A 30 39.173 16.141 -5.522 1.00 1.00 H new ATOM 0 HA LEU A 30 36.980 17.324 -3.979 1.00 1.00 H new ATOM 0 HB2 LEU A 30 35.912 15.073 -3.725 1.00 1.00 H new ATOM 0 HB3 LEU A 30 35.807 15.688 -5.362 1.00 1.00 H new ATOM 0 HG LEU A 30 38.002 13.795 -4.416 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.715 12.035 -5.629 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.762 12.718 -4.290 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.428 13.217 -5.965 1.00 1.00 H new ATOM 0 HD21 LEU A 30 38.363 13.440 -6.844 1.00 1.00 H new ATOM 0 HD22 LEU A 30 37.083 14.623 -7.206 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.582 15.150 -6.403 1.00 1.00 H new ATOM 427 N ILE A 31 39.607 16.479 -3.028 1.00 1.00 N ATOM 428 CA ILE A 31 40.520 16.126 -1.947 1.00 1.00 C ATOM 429 C ILE A 31 40.182 16.903 -0.672 1.00 1.00 C ATOM 430 O ILE A 31 40.258 16.354 0.427 1.00 1.00 O ATOM 431 CB ILE A 31 41.974 16.408 -2.346 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.120 16.411 -3.875 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.883 15.329 -1.751 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.546 15.120 -4.469 1.00 1.00 C ATOM 0 H ILE A 31 39.989 17.134 -3.711 1.00 1.00 H new ATOM 0 HA ILE A 31 40.405 15.059 -1.754 1.00 1.00 H new ATOM 0 HB ILE A 31 42.260 17.387 -1.963 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.602 17.274 -4.294 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.171 16.508 -4.146 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.917 15.528 -2.034 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.796 15.338 -0.665 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.585 14.352 -2.131 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.657 15.138 -5.553 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.083 14.263 -4.063 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.489 15.040 -4.214 1.00 1.00 H new ATOM 446 N PRO A 32 39.813 18.158 -0.789 1.00 1.00 N ATOM 447 CA PRO A 32 39.465 18.997 0.383 1.00 1.00 C ATOM 448 C PRO A 32 37.998 18.849 0.777 1.00 1.00 C ATOM 449 O PRO A 32 37.487 19.608 1.601 1.00 1.00 O ATOM 450 CB PRO A 32 39.768 20.416 -0.097 1.00 1.00 C ATOM 451 CG PRO A 32 39.644 20.386 -1.592 1.00 1.00 C ATOM 452 CD PRO A 32 39.684 18.919 -2.040 1.00 1.00 C ATOM 0 HA PRO A 32 40.023 18.717 1.277 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.070 21.132 0.337 1.00 1.00 H new ATOM 0 HB3 PRO A 32 40.769 20.724 0.205 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.712 20.856 -1.907 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.456 20.948 -2.053 1.00 1.00 H new ATOM 0 HD2 PRO A 32 38.779 18.644 -2.581 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.524 18.730 -2.708 1.00 1.00 H new ATOM 460 N ALA A 33 37.331 17.862 0.183 1.00 1.00 N ATOM 461 CA ALA A 33 35.923 17.610 0.473 1.00 1.00 C ATOM 462 C ALA A 33 35.757 16.265 1.172 1.00 1.00 C ATOM 463 O ALA A 33 34.814 16.065 1.938 1.00 1.00 O ATOM 464 CB ALA A 33 35.114 17.617 -0.824 1.00 1.00 C ATOM 0 H ALA A 33 37.742 17.226 -0.500 1.00 1.00 H new ATOM 0 HA ALA A 33 35.558 18.398 1.131 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.064 17.428 -0.599 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.212 18.588 -1.309 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.488 16.839 -1.490 1.00 1.00 H new ATOM 470 N ILE A 34 36.680 15.348 0.900 1.00 1.00 N ATOM 471 CA ILE A 34 36.632 14.021 1.507 1.00 1.00 C ATOM 472 C ILE A 34 37.699 13.891 2.588 1.00 1.00 C ATOM 473 O ILE A 34 37.414 13.465 3.708 1.00 1.00 O ATOM 474 CB ILE A 34 36.854 12.951 0.437 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.682 12.963 -0.546 1.00 1.00 C ATOM 476 CG2 ILE A 34 36.945 11.576 1.101 1.00 1.00 C ATOM 477 CD1 ILE A 34 36.099 12.273 -1.846 1.00 1.00 C ATOM 0 H ILE A 34 37.466 15.497 0.267 1.00 1.00 H new ATOM 0 HA ILE A 34 35.651 13.882 1.961 1.00 1.00 H new ATOM 0 HB ILE A 34 37.781 13.159 -0.097 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.823 12.453 -0.110 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.374 13.989 -0.749 1.00 1.00 H new ATOM 0 HG21 ILE A 34 37.103 10.813 0.338 1.00 1.00 H new ATOM 0 HG22 ILE A 34 37.779 11.565 1.803 1.00 1.00 H new ATOM 0 HG23 ILE A 34 36.018 11.368 1.635 1.00 1.00 H new ATOM 0 HD11 ILE A 34 35.264 12.281 -2.546 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.945 12.803 -2.284 1.00 1.00 H new ATOM 0 HD13 ILE A 34 36.385 11.243 -1.635 1.00 1.00 H new ATOM 489 N TYR A 35 38.928 14.262 2.246 1.00 1.00 N ATOM 490 CA TYR A 35 40.032 14.184 3.195 1.00 1.00 C ATOM 491 C TYR A 35 39.785 15.110 4.381 1.00 1.00 C ATOM 492 O TYR A 35 40.335 14.909 5.464 1.00 1.00 O ATOM 493 CB TYR A 35 41.340 14.574 2.505 1.00 1.00 C ATOM 494 CG TYR A 35 42.509 14.052 3.305 1.00 1.00 C ATOM 495 CD1 TYR A 35 42.999 12.762 3.067 1.00 1.00 C ATOM 496 CD2 TYR A 35 43.105 14.858 4.281 1.00 1.00 C ATOM 497 CE1 TYR A 35 44.084 12.277 3.807 1.00 1.00 C ATOM 498 CE2 TYR A 35 44.191 14.375 5.022 1.00 1.00 C ATOM 499 CZ TYR A 35 44.679 13.084 4.785 1.00 1.00 C ATOM 500 OH TYR A 35 45.749 12.607 5.514 1.00 1.00 O ATOM 0 H TYR A 35 39.184 14.617 1.325 1.00 1.00 H new ATOM 0 HA TYR A 35 40.104 13.159 3.558 1.00 1.00 H new ATOM 0 HB2 TYR A 35 41.366 14.165 1.495 1.00 1.00 H new ATOM 0 HB3 TYR A 35 41.405 15.658 2.412 1.00 1.00 H new ATOM 0 HD1 TYR A 35 42.540 12.141 2.312 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.727 15.853 4.463 1.00 1.00 H new ATOM 0 HE1 TYR A 35 44.462 11.282 3.624 1.00 1.00 H new ATOM 0 HE2 TYR A 35 44.651 14.997 5.775 1.00 1.00 H new ATOM 0 HH TYR A 35 46.044 13.293 6.149 1.00 1.00 H new ATOM 510 N MET A 36 38.955 16.127 4.170 1.00 1.00 N ATOM 511 CA MET A 36 38.643 17.079 5.229 1.00 1.00 C ATOM 512 C MET A 36 37.398 16.642 5.994 1.00 1.00 C ATOM 513 O MET A 36 37.411 16.554 7.222 1.00 1.00 O ATOM 514 CB MET A 36 38.414 18.468 4.631 1.00 1.00 C ATOM 515 CG MET A 36 39.748 19.042 4.149 1.00 1.00 C ATOM 516 SD MET A 36 39.447 20.557 3.203 1.00 1.00 S ATOM 517 CE MET A 36 39.444 21.702 4.604 1.00 1.00 C ATOM 0 H MET A 36 38.489 16.312 3.281 1.00 1.00 H new ATOM 0 HA MET A 36 39.486 17.114 5.919 1.00 1.00 H new ATOM 0 HB2 MET A 36 37.711 18.407 3.800 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.970 19.128 5.376 1.00 1.00 H new ATOM 0 HG2 MET A 36 40.394 19.255 5.001 1.00 1.00 H new ATOM 0 HG3 MET A 36 40.268 18.311 3.530 1.00 1.00 H new ATOM 0 HE1 MET A 36 39.272 22.716 4.244 1.00 1.00 H new ATOM 0 HE2 MET A 36 38.652 21.424 5.299 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.407 21.656 5.113 1.00 1.00 H new ATOM 527 N LEU A 37 36.324 16.368 5.261 1.00 1.00 N ATOM 528 CA LEU A 37 35.076 15.941 5.882 1.00 1.00 C ATOM 529 C LEU A 37 35.179 14.494 6.353 1.00 1.00 C ATOM 530 O LEU A 37 34.197 13.751 6.329 1.00 1.00 O ATOM 531 CB LEU A 37 33.923 16.073 4.884 1.00 1.00 C ATOM 532 CG LEU A 37 33.950 17.466 4.252 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.783 17.607 3.275 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.826 18.526 5.350 1.00 1.00 C ATOM 0 H LEU A 37 36.292 16.433 4.244 1.00 1.00 H new ATOM 0 HA LEU A 37 34.885 16.580 6.744 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.009 15.310 4.111 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.971 15.910 5.389 1.00 1.00 H new ATOM 0 HG LEU A 37 34.890 17.603 3.717 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.803 18.600 2.825 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.870 16.853 2.493 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.843 17.469 3.809 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.845 19.519 4.901 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.886 18.388 5.885 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.658 18.427 6.047 1.00 1.00 H new ATOM 546 N VAL A 38 36.373 14.101 6.784 1.00 1.00 N ATOM 547 CA VAL A 38 36.594 12.740 7.261 1.00 1.00 C ATOM 548 C VAL A 38 37.447 12.748 8.526 1.00 1.00 C ATOM 549 O VAL A 38 37.496 11.760 9.258 1.00 1.00 O ATOM 550 CB VAL A 38 37.291 11.914 6.178 1.00 1.00 C ATOM 551 CG1 VAL A 38 37.862 10.636 6.797 1.00 1.00 C ATOM 552 CG2 VAL A 38 36.280 11.543 5.090 1.00 1.00 C ATOM 0 H VAL A 38 37.198 14.701 6.813 1.00 1.00 H new ATOM 0 HA VAL A 38 35.627 12.294 7.491 1.00 1.00 H new ATOM 0 HB VAL A 38 38.100 12.499 5.741 1.00 1.00 H new ATOM 0 HG11 VAL A 38 38.358 10.048 6.025 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.582 10.898 7.573 1.00 1.00 H new ATOM 0 HG13 VAL A 38 37.053 10.051 7.235 1.00 1.00 H new ATOM 0 HG21 VAL A 38 36.776 10.955 4.318 1.00 1.00 H new ATOM 0 HG22 VAL A 38 35.471 10.958 5.529 1.00 1.00 H new ATOM 0 HG23 VAL A 38 35.872 12.452 4.647 1.00 1.00 H new ATOM 562 N PHE A 39 38.116 13.869 8.774 1.00 1.00 N ATOM 563 CA PHE A 39 38.965 13.997 9.955 1.00 1.00 C ATOM 564 C PHE A 39 38.282 14.853 11.016 1.00 1.00 C ATOM 565 O PHE A 39 38.065 14.408 12.143 1.00 1.00 O ATOM 566 CB PHE A 39 40.303 14.629 9.569 1.00 1.00 C ATOM 567 CG PHE A 39 41.051 15.026 10.820 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.412 14.051 11.757 1.00 1.00 C ATOM 569 CD2 PHE A 39 41.385 16.368 11.043 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.104 14.415 12.917 1.00 1.00 C ATOM 571 CE2 PHE A 39 42.078 16.733 12.204 1.00 1.00 C ATOM 572 CZ PHE A 39 42.438 15.757 13.140 1.00 1.00 C ATOM 0 H PHE A 39 38.088 14.697 8.179 1.00 1.00 H new ATOM 0 HA PHE A 39 39.138 13.002 10.365 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.896 13.924 8.986 1.00 1.00 H new ATOM 0 HB3 PHE A 39 40.137 15.503 8.939 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.156 13.016 11.584 1.00 1.00 H new ATOM 0 HD2 PHE A 39 41.108 17.121 10.320 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.381 13.662 13.640 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.335 17.768 12.377 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.974 16.039 14.035 1.00 1.00 H new ATOM 582 N LEU A 40 37.947 16.085 10.648 1.00 1.00 N ATOM 583 CA LEU A 40 37.290 16.998 11.577 1.00 1.00 C ATOM 584 C LEU A 40 35.779 16.798 11.548 1.00 1.00 C ATOM 585 O LEU A 40 35.027 17.590 12.114 1.00 1.00 O ATOM 586 CB LEU A 40 37.622 18.445 11.211 1.00 1.00 C ATOM 587 CG LEU A 40 37.166 18.726 9.778 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.935 19.634 9.803 1.00 1.00 C ATOM 589 CD2 LEU A 40 38.294 19.421 9.012 1.00 1.00 C ATOM 0 H LEU A 40 38.118 16.473 9.720 1.00 1.00 H new ATOM 0 HA LEU A 40 37.654 16.785 12.582 1.00 1.00 H new ATOM 0 HB2 LEU A 40 37.128 19.129 11.902 1.00 1.00 H new ATOM 0 HB3 LEU A 40 38.694 18.618 11.303 1.00 1.00 H new ATOM 0 HG LEU A 40 36.915 17.786 9.286 1.00 1.00 H new ATOM 0 HD11 LEU A 40 35.610 19.834 8.782 1.00 1.00 H new ATOM 0 HD12 LEU A 40 35.131 19.142 10.350 1.00 1.00 H new ATOM 0 HD13 LEU A 40 36.186 20.574 10.295 1.00 1.00 H new ATOM 0 HD21 LEU A 40 37.970 19.622 7.991 1.00 1.00 H new ATOM 0 HD22 LEU A 40 38.543 20.361 9.505 1.00 1.00 H new ATOM 0 HD23 LEU A 40 39.173 18.776 8.994 1.00 1.00 H new ATOM 601 N LEU A 41 35.339 15.733 10.883 1.00 1.00 N ATOM 602 CA LEU A 41 33.914 15.441 10.787 1.00 1.00 C ATOM 603 C LEU A 41 33.667 13.941 10.925 1.00 1.00 C ATOM 604 O LEU A 41 32.680 13.518 11.525 1.00 1.00 O ATOM 605 CB LEU A 41 33.372 15.931 9.440 1.00 1.00 C ATOM 606 CG LEU A 41 31.846 15.779 9.397 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.191 16.689 10.442 1.00 1.00 C ATOM 608 CD2 LEU A 41 31.339 16.166 8.005 1.00 1.00 C ATOM 0 H LEU A 41 35.944 15.064 10.407 1.00 1.00 H new ATOM 0 HA LEU A 41 33.397 15.958 11.595 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.645 16.975 9.288 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.825 15.361 8.628 1.00 1.00 H new ATOM 0 HG LEU A 41 31.587 14.743 9.615 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.108 16.571 10.400 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.547 16.417 11.436 1.00 1.00 H new ATOM 0 HD13 LEU A 41 31.451 17.727 10.235 1.00 1.00 H new ATOM 0 HD21 LEU A 41 30.255 16.059 7.970 1.00 1.00 H new ATOM 0 HD22 LEU A 41 31.609 17.201 7.794 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.792 15.514 7.258 1.00 1.00 H new ATOM 620 N GLY A 42 34.571 13.143 10.366 1.00 1.00 N ATOM 621 CA GLY A 42 34.441 11.692 10.432 1.00 1.00 C ATOM 622 C GLY A 42 34.047 11.243 11.835 1.00 1.00 C ATOM 623 O GLY A 42 33.180 10.385 12.001 1.00 1.00 O ATOM 0 H GLY A 42 35.396 13.474 9.866 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.691 11.357 9.715 1.00 1.00 H new ATOM 0 HA3 GLY A 42 35.384 11.225 10.148 1.00 1.00 H new ATOM 627 N THR A 43 34.689 11.829 12.841 1.00 1.00 N ATOM 628 CA THR A 43 34.397 11.480 14.226 1.00 1.00 C ATOM 629 C THR A 43 34.604 12.684 15.139 1.00 1.00 C ATOM 630 O THR A 43 33.762 12.988 15.983 1.00 1.00 O ATOM 631 CB THR A 43 35.302 10.331 14.678 1.00 1.00 C ATOM 632 OG1 THR A 43 34.998 9.993 16.024 1.00 1.00 O ATOM 633 CG2 THR A 43 36.766 10.763 14.577 1.00 1.00 C ATOM 0 H THR A 43 35.409 12.542 12.724 1.00 1.00 H new ATOM 0 HA THR A 43 33.355 11.167 14.289 1.00 1.00 H new ATOM 0 HB THR A 43 35.136 9.464 14.039 1.00 1.00 H new ATOM 0 HG1 THR A 43 35.575 9.256 16.315 1.00 1.00 H new ATOM 0 HG21 THR A 43 37.410 9.945 14.899 1.00 1.00 H new ATOM 0 HG22 THR A 43 36.998 11.023 13.544 1.00 1.00 H new ATOM 0 HG23 THR A 43 36.934 11.630 15.216 1.00 1.00 H new ATOM 641 N THR A 44 35.731 13.366 14.963 1.00 1.00 N ATOM 642 CA THR A 44 36.039 14.537 15.778 1.00 1.00 C ATOM 643 C THR A 44 34.944 15.588 15.637 1.00 1.00 C ATOM 644 O THR A 44 34.884 16.543 16.412 1.00 1.00 O ATOM 645 CB THR A 44 37.382 15.132 15.349 1.00 1.00 C ATOM 646 OG1 THR A 44 38.436 14.302 15.816 1.00 1.00 O ATOM 647 CG2 THR A 44 37.533 16.534 15.941 1.00 1.00 C ATOM 0 H THR A 44 36.441 13.131 14.270 1.00 1.00 H new ATOM 0 HA THR A 44 36.097 14.228 16.822 1.00 1.00 H new ATOM 0 HB THR A 44 37.422 15.194 14.261 1.00 1.00 H new ATOM 0 HG1 THR A 44 39.297 14.681 15.541 1.00 1.00 H new ATOM 0 HG21 THR A 44 38.490 16.957 15.635 1.00 1.00 H new ATOM 0 HG22 THR A 44 36.724 17.170 15.582 1.00 1.00 H new ATOM 0 HG23 THR A 44 37.493 16.476 17.029 1.00 1.00 H new ATOM 655 N GLY A 45 34.079 15.407 14.644 1.00 1.00 N ATOM 656 CA GLY A 45 32.989 16.348 14.412 1.00 1.00 C ATOM 657 C GLY A 45 32.208 16.602 15.697 1.00 1.00 C ATOM 658 O GLY A 45 31.503 17.604 15.817 1.00 1.00 O ATOM 0 H GLY A 45 34.111 14.624 13.992 1.00 1.00 H new ATOM 0 HA2 GLY A 45 33.389 17.288 14.033 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.320 15.955 13.647 1.00 1.00 H new ATOM 662 N ASN A 46 32.340 15.690 16.654 1.00 1.00 N ATOM 663 CA ASN A 46 31.642 15.826 17.926 1.00 1.00 C ATOM 664 C ASN A 46 32.557 15.443 19.084 1.00 1.00 C ATOM 665 O ASN A 46 32.098 15.213 20.203 1.00 1.00 O ATOM 666 CB ASN A 46 30.399 14.933 17.939 1.00 1.00 C ATOM 667 CG ASN A 46 30.714 13.611 18.630 1.00 1.00 C ATOM 668 OD1 ASN A 46 30.199 13.338 19.714 1.00 1.00 O ATOM 669 ND2 ASN A 46 31.536 12.769 18.064 1.00 1.00 N ATOM 0 H ASN A 46 32.920 14.855 16.574 1.00 1.00 H new ATOM 0 HA ASN A 46 31.342 16.867 18.044 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.584 15.438 18.457 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.063 14.748 16.919 1.00 1.00 H new ATOM 0 HD21 ASN A 46 31.753 11.883 18.520 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.962 12.997 17.166 1.00 1.00 H new ATOM 676 N GLY A 47 33.856 15.379 18.808 1.00 1.00 N ATOM 677 CA GLY A 47 34.829 15.022 19.834 1.00 1.00 C ATOM 678 C GLY A 47 35.285 16.257 20.603 1.00 1.00 C ATOM 679 O GLY A 47 36.280 16.217 21.327 1.00 1.00 O ATOM 0 H GLY A 47 34.257 15.568 17.889 1.00 1.00 H new ATOM 0 HA2 GLY A 47 34.389 14.301 20.523 1.00 1.00 H new ATOM 0 HA3 GLY A 47 35.689 14.538 19.372 1.00 1.00 H new ATOM 683 N LEU A 48 34.552 17.354 20.441 1.00 1.00 N ATOM 684 CA LEU A 48 34.891 18.597 21.125 1.00 1.00 C ATOM 685 C LEU A 48 34.147 18.696 22.453 1.00 1.00 C ATOM 686 O LEU A 48 34.323 19.657 23.204 1.00 1.00 O ATOM 687 CB LEU A 48 34.525 19.794 20.243 1.00 1.00 C ATOM 688 CG LEU A 48 35.608 20.011 19.177 1.00 1.00 C ATOM 689 CD1 LEU A 48 36.907 20.510 19.823 1.00 1.00 C ATOM 690 CD2 LEU A 48 35.878 18.689 18.457 1.00 1.00 C ATOM 0 H LEU A 48 33.725 17.408 19.846 1.00 1.00 H new ATOM 0 HA LEU A 48 35.963 18.603 21.320 1.00 1.00 H new ATOM 0 HB2 LEU A 48 33.561 19.622 19.764 1.00 1.00 H new ATOM 0 HB3 LEU A 48 34.421 20.690 20.856 1.00 1.00 H new ATOM 0 HG LEU A 48 35.258 20.760 18.467 1.00 1.00 H new ATOM 0 HD11 LEU A 48 37.663 20.658 19.052 1.00 1.00 H new ATOM 0 HD12 LEU A 48 36.720 21.454 20.334 1.00 1.00 H new ATOM 0 HD13 LEU A 48 37.262 19.772 20.543 1.00 1.00 H new ATOM 0 HD21 LEU A 48 36.647 18.838 17.699 1.00 1.00 H new ATOM 0 HD22 LEU A 48 36.218 17.945 19.177 1.00 1.00 H new ATOM 0 HD23 LEU A 48 34.962 18.340 17.981 1.00 1.00 H new ATOM 702 N VAL A 49 33.316 17.698 22.737 1.00 1.00 N ATOM 703 CA VAL A 49 32.549 17.684 23.978 1.00 1.00 C ATOM 704 C VAL A 49 33.167 16.714 24.981 1.00 1.00 C ATOM 705 O VAL A 49 32.717 16.618 26.122 1.00 1.00 O ATOM 706 CB VAL A 49 31.104 17.272 23.692 1.00 1.00 C ATOM 707 CG1 VAL A 49 30.359 17.070 25.013 1.00 1.00 C ATOM 708 CG2 VAL A 49 30.412 18.371 22.882 1.00 1.00 C ATOM 0 H VAL A 49 33.157 16.894 22.130 1.00 1.00 H new ATOM 0 HA VAL A 49 32.565 18.687 24.404 1.00 1.00 H new ATOM 0 HB VAL A 49 31.098 16.341 23.125 1.00 1.00 H new ATOM 0 HG11 VAL A 49 29.329 16.776 24.809 1.00 1.00 H new ATOM 0 HG12 VAL A 49 30.851 16.289 25.592 1.00 1.00 H new ATOM 0 HG13 VAL A 49 30.365 18.001 25.580 1.00 1.00 H new ATOM 0 HG21 VAL A 49 29.382 18.079 22.678 1.00 1.00 H new ATOM 0 HG22 VAL A 49 30.419 19.301 23.450 1.00 1.00 H new ATOM 0 HG23 VAL A 49 30.941 18.517 21.940 1.00 1.00 H new ATOM 718 N LEU A 50 34.202 16.001 24.547 1.00 1.00 N ATOM 719 CA LEU A 50 34.876 15.042 25.416 1.00 1.00 C ATOM 720 C LEU A 50 36.390 15.161 25.276 1.00 1.00 C ATOM 721 O LEU A 50 37.135 14.304 25.752 1.00 1.00 O ATOM 722 CB LEU A 50 34.439 13.618 25.064 1.00 1.00 C ATOM 723 CG LEU A 50 34.261 13.496 23.550 1.00 1.00 C ATOM 724 CD1 LEU A 50 34.681 12.096 23.098 1.00 1.00 C ATOM 725 CD2 LEU A 50 32.792 13.728 23.190 1.00 1.00 C ATOM 0 H LEU A 50 34.590 16.068 23.606 1.00 1.00 H new ATOM 0 HA LEU A 50 34.600 15.261 26.447 1.00 1.00 H new ATOM 0 HB2 LEU A 50 35.183 12.902 25.412 1.00 1.00 H new ATOM 0 HB3 LEU A 50 33.504 13.378 25.571 1.00 1.00 H new ATOM 0 HG LEU A 50 34.881 14.240 23.050 1.00 1.00 H new ATOM 0 HD11 LEU A 50 34.554 12.009 22.019 1.00 1.00 H new ATOM 0 HD12 LEU A 50 35.727 11.929 23.355 1.00 1.00 H new ATOM 0 HD13 LEU A 50 34.061 11.351 23.597 1.00 1.00 H new ATOM 0 HD21 LEU A 50 32.664 13.641 22.111 1.00 1.00 H new ATOM 0 HD22 LEU A 50 32.173 12.983 23.690 1.00 1.00 H new ATOM 0 HD23 LEU A 50 32.492 14.725 23.512 1.00 1.00 H new ATOM 737 N TRP A 51 36.838 16.228 24.623 1.00 1.00 N ATOM 738 CA TRP A 51 38.267 16.448 24.429 1.00 1.00 C ATOM 739 C TRP A 51 38.797 17.449 25.449 1.00 1.00 C ATOM 740 O TRP A 51 39.324 17.066 26.494 1.00 1.00 O ATOM 741 CB TRP A 51 38.529 16.969 23.015 1.00 1.00 C ATOM 742 CG TRP A 51 39.916 17.521 22.937 1.00 1.00 C ATOM 743 CD1 TRP A 51 41.044 16.831 23.220 1.00 1.00 C ATOM 744 CD2 TRP A 51 40.340 18.863 22.558 1.00 1.00 C ATOM 745 NE1 TRP A 51 42.135 17.663 23.039 1.00 1.00 N ATOM 746 CE2 TRP A 51 41.753 18.926 22.631 1.00 1.00 C ATOM 747 CE3 TRP A 51 39.645 20.019 22.162 1.00 1.00 C ATOM 748 CZ2 TRP A 51 42.450 20.095 22.322 1.00 1.00 C ATOM 749 CZ3 TRP A 51 40.343 21.197 21.850 1.00 1.00 C ATOM 750 CH2 TRP A 51 41.743 21.234 21.929 1.00 1.00 C ATOM 0 H TRP A 51 36.238 16.949 24.222 1.00 1.00 H new ATOM 0 HA TRP A 51 38.784 15.498 24.566 1.00 1.00 H new ATOM 0 HB2 TRP A 51 38.405 16.164 22.290 1.00 1.00 H new ATOM 0 HB3 TRP A 51 37.804 17.742 22.760 1.00 1.00 H new ATOM 0 HD1 TRP A 51 41.087 15.799 23.536 1.00 1.00 H new ATOM 0 HE1 TRP A 51 43.103 17.378 23.189 1.00 1.00 H new ATOM 0 HE3 TRP A 51 38.567 20.001 22.097 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 43.528 20.119 22.386 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 39.799 22.079 21.548 1.00 1.00 H new ATOM 0 HH2 TRP A 51 42.274 22.143 21.686 1.00 1.00 H new ATOM 761 N THR A 52 38.652 18.734 25.141 1.00 1.00 N ATOM 762 CA THR A 52 39.120 19.782 26.038 1.00 1.00 C ATOM 763 C THR A 52 38.410 19.689 27.385 1.00 1.00 C ATOM 764 O THR A 52 38.976 20.032 28.423 1.00 1.00 O ATOM 765 CB THR A 52 38.861 21.158 25.418 1.00 1.00 C ATOM 766 OG1 THR A 52 39.357 22.168 26.285 1.00 1.00 O ATOM 767 CG2 THR A 52 37.358 21.352 25.211 1.00 1.00 C ATOM 0 H THR A 52 38.217 19.072 24.283 1.00 1.00 H new ATOM 0 HA THR A 52 40.191 19.650 26.192 1.00 1.00 H new ATOM 0 HB THR A 52 39.369 21.224 24.456 1.00 1.00 H new ATOM 0 HG1 THR A 52 39.193 23.049 25.888 1.00 1.00 H new ATOM 0 HG21 THR A 52 37.175 22.332 24.770 1.00 1.00 H new ATOM 0 HG22 THR A 52 36.980 20.577 24.544 1.00 1.00 H new ATOM 0 HG23 THR A 52 36.847 21.285 26.171 1.00 1.00 H new ATOM 775 N VAL A 53 37.166 19.221 27.361 1.00 1.00 N ATOM 776 CA VAL A 53 36.386 19.086 28.586 1.00 1.00 C ATOM 777 C VAL A 53 37.053 18.099 29.538 1.00 1.00 C ATOM 778 O VAL A 53 37.080 18.313 30.750 1.00 1.00 O ATOM 779 CB VAL A 53 34.973 18.603 28.254 1.00 1.00 C ATOM 780 CG1 VAL A 53 34.269 18.164 29.540 1.00 1.00 C ATOM 781 CG2 VAL A 53 34.185 19.744 27.607 1.00 1.00 C ATOM 0 H VAL A 53 36.679 18.931 26.513 1.00 1.00 H new ATOM 0 HA VAL A 53 36.332 20.061 29.071 1.00 1.00 H new ATOM 0 HB VAL A 53 35.029 17.761 27.564 1.00 1.00 H new ATOM 0 HG11 VAL A 53 33.262 17.820 29.304 1.00 1.00 H new ATOM 0 HG12 VAL A 53 34.831 17.353 30.004 1.00 1.00 H new ATOM 0 HG13 VAL A 53 34.212 19.006 30.229 1.00 1.00 H new ATOM 0 HG21 VAL A 53 33.178 19.402 27.370 1.00 1.00 H new ATOM 0 HG22 VAL A 53 34.129 20.585 28.298 1.00 1.00 H new ATOM 0 HG23 VAL A 53 34.686 20.059 26.692 1.00 1.00 H new ATOM 791 N PHE A 54 37.590 17.018 28.982 1.00 1.00 N ATOM 792 CA PHE A 54 38.255 16.004 29.792 1.00 1.00 C ATOM 793 C PHE A 54 39.686 16.426 30.111 1.00 1.00 C ATOM 794 O PHE A 54 40.566 15.583 30.289 1.00 1.00 O ATOM 795 CB PHE A 54 38.267 14.667 29.050 1.00 1.00 C ATOM 796 CG PHE A 54 37.890 13.558 30.001 1.00 1.00 C ATOM 797 CD1 PHE A 54 36.553 13.384 30.379 1.00 1.00 C ATOM 798 CD2 PHE A 54 38.877 12.704 30.507 1.00 1.00 C ATOM 799 CE1 PHE A 54 36.202 12.355 31.261 1.00 1.00 C ATOM 800 CE2 PHE A 54 38.526 11.675 31.390 1.00 1.00 C ATOM 801 CZ PHE A 54 37.189 11.501 31.767 1.00 1.00 C ATOM 0 H PHE A 54 37.578 16.822 27.981 1.00 1.00 H new ATOM 0 HA PHE A 54 37.705 15.894 30.726 1.00 1.00 H new ATOM 0 HB2 PHE A 54 37.568 14.697 28.214 1.00 1.00 H new ATOM 0 HB3 PHE A 54 39.256 14.481 28.631 1.00 1.00 H new ATOM 0 HD1 PHE A 54 35.792 14.044 29.990 1.00 1.00 H new ATOM 0 HD2 PHE A 54 39.909 12.838 30.217 1.00 1.00 H new ATOM 0 HE1 PHE A 54 35.170 12.220 31.551 1.00 1.00 H new ATOM 0 HE2 PHE A 54 39.287 11.016 31.780 1.00 1.00 H new ATOM 0 HZ PHE A 54 36.919 10.708 32.448 1.00 1.00 H new ATOM 811 N ARG A 55 39.911 17.733 30.180 1.00 1.00 N ATOM 812 CA ARG A 55 41.239 18.256 30.476 1.00 1.00 C ATOM 813 C ARG A 55 41.150 19.422 31.456 1.00 1.00 C ATOM 814 O ARG A 55 42.040 19.619 32.284 1.00 1.00 O ATOM 815 CB ARG A 55 41.919 18.720 29.187 1.00 1.00 C ATOM 816 CG ARG A 55 42.457 17.506 28.427 1.00 1.00 C ATOM 817 CD ARG A 55 42.553 17.838 26.937 1.00 1.00 C ATOM 818 NE ARG A 55 43.426 16.884 26.262 1.00 1.00 N ATOM 819 CZ ARG A 55 44.744 16.926 26.426 1.00 1.00 C ATOM 820 NH1 ARG A 55 45.278 17.829 27.200 1.00 1.00 N ATOM 821 NH2 ARG A 55 45.504 16.062 25.811 1.00 1.00 N ATOM 0 H ARG A 55 39.196 18.446 30.036 1.00 1.00 H new ATOM 0 HA ARG A 55 41.829 17.459 30.930 1.00 1.00 H new ATOM 0 HB2 ARG A 55 41.209 19.266 28.565 1.00 1.00 H new ATOM 0 HB3 ARG A 55 42.733 19.406 29.420 1.00 1.00 H new ATOM 0 HG2 ARG A 55 43.438 17.228 28.812 1.00 1.00 H new ATOM 0 HG3 ARG A 55 41.801 16.649 28.578 1.00 1.00 H new ATOM 0 HD2 ARG A 55 41.560 17.814 26.487 1.00 1.00 H new ATOM 0 HD3 ARG A 55 42.938 18.849 26.807 1.00 1.00 H new ATOM 0 HE ARG A 55 43.018 16.173 25.654 1.00 1.00 H new ATOM 0 HH11 ARG A 55 44.684 18.505 27.681 1.00 1.00 H new ATOM 0 HH12 ARG A 55 46.290 17.860 27.325 1.00 1.00 H new ATOM 0 HH21 ARG A 55 45.086 15.356 25.205 1.00 1.00 H new ATOM 0 HH22 ARG A 55 46.516 16.093 25.936 1.00 1.00 H new ATOM 835 N LYS A 56 40.071 20.192 31.354 1.00 1.00 N ATOM 836 CA LYS A 56 39.877 21.336 32.237 1.00 1.00 C ATOM 837 C LYS A 56 39.369 20.881 33.602 1.00 1.00 C ATOM 838 O LYS A 56 39.141 21.698 34.494 1.00 1.00 O ATOM 839 CB LYS A 56 38.875 22.310 31.616 1.00 1.00 C ATOM 840 CG LYS A 56 37.516 21.621 31.469 1.00 1.00 C ATOM 841 CD LYS A 56 36.518 22.241 32.449 1.00 1.00 C ATOM 842 CE LYS A 56 36.173 23.662 31.998 1.00 1.00 C ATOM 843 NZ LYS A 56 36.345 24.601 33.142 1.00 1.00 N ATOM 0 H LYS A 56 39.324 20.046 30.675 1.00 1.00 H new ATOM 0 HA LYS A 56 40.836 21.836 32.368 1.00 1.00 H new ATOM 0 HB2 LYS A 56 38.779 23.197 32.242 1.00 1.00 H new ATOM 0 HB3 LYS A 56 39.232 22.644 30.642 1.00 1.00 H new ATOM 0 HG2 LYS A 56 37.152 21.727 30.447 1.00 1.00 H new ATOM 0 HG3 LYS A 56 37.616 20.553 31.662 1.00 1.00 H new ATOM 0 HD2 LYS A 56 35.614 21.634 32.496 1.00 1.00 H new ATOM 0 HD3 LYS A 56 36.942 22.260 33.453 1.00 1.00 H new ATOM 0 HE2 LYS A 56 36.817 23.959 31.170 1.00 1.00 H new ATOM 0 HE3 LYS A 56 35.147 23.700 31.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 36.111 25.567 32.836 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 35.713 24.321 33.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 37.331 24.571 33.470 1.00 1.00 H new