USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 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 16 ASN : amide:sc= 0 X(o=-0.45,f=-0.51) USER MOD Set 1.2: A 57 TYR OH : rot -120:sc= -0.445 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 84:sc= 0.399 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 13 SER OG : rot 67:sc= 0.358 USER MOD Single : A 15 TYR OH : rot 166:sc= 0.0343 USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= 1.05 (180deg=0.576) USER MOD Single : A 24 MET CE :methyl -174:sc=-0.000786 (180deg=-0.0451) USER MOD Single : A 26 ASN : amide:sc= 0.531 K(o=0.53,f=-1.1!) USER MOD Single : A 28 ASN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : A 34 MET CE :methyl -125:sc= -0.295 (180deg=-3.26!) USER MOD Single : A 38 MET CE :methyl -168:sc= 0 (180deg=-0.158) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 77:sc= 1.05 USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= -2.76 (180deg=-5.25!) USER MOD Single : A 53 THR OG1 : rot -48:sc= 0.216 USER MOD Single : A 55 ASN : amide:sc=-0.00218 K(o=-0.0022,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 63 N LEU A 4 -10.496 0.505 4.565 1.00 62.14 N ATOM 64 CA LEU A 4 -9.335 1.298 4.221 1.00 54.44 C ATOM 65 C LEU A 4 -9.749 2.663 3.739 1.00 30.44 C ATOM 66 O LEU A 4 -10.768 2.806 3.051 1.00 11.22 O ATOM 67 CB LEU A 4 -8.524 0.556 3.163 1.00 45.14 C ATOM 68 CG LEU A 4 -8.147 -0.862 3.579 1.00 65.43 C ATOM 69 CD1 LEU A 4 -7.475 -1.600 2.441 1.00 63.53 C ATOM 70 CD2 LEU A 4 -7.254 -0.811 4.804 1.00 12.21 C ATOM 0 HA LEU A 4 -8.714 1.443 5.105 1.00 54.44 H new ATOM 0 HB2 LEU A 4 -9.098 0.515 2.237 1.00 45.14 H new ATOM 0 HB3 LEU A 4 -7.615 1.119 2.950 1.00 45.14 H new ATOM 0 HG LEU A 4 -9.054 -1.412 3.830 1.00 65.43 H new ATOM 0 HD11 LEU A 4 -7.216 -2.608 2.764 1.00 63.53 H new ATOM 0 HD12 LEU A 4 -8.155 -1.654 1.591 1.00 63.53 H new ATOM 0 HD13 LEU A 4 -6.569 -1.069 2.148 1.00 63.53 H new ATOM 0 HD21 LEU A 4 -6.985 -1.825 5.101 1.00 12.21 H new ATOM 0 HD22 LEU A 4 -6.349 -0.249 4.572 1.00 12.21 H new ATOM 0 HD23 LEU A 4 -7.785 -0.323 5.621 1.00 12.21 H new ATOM 82 N THR A 5 -8.963 3.660 4.112 1.00 73.21 N ATOM 83 CA THR A 5 -9.310 5.033 3.820 1.00 24.21 C ATOM 84 C THR A 5 -8.900 5.368 2.383 1.00 74.44 C ATOM 85 O THR A 5 -8.159 4.601 1.746 1.00 14.33 O ATOM 86 CB THR A 5 -8.692 6.021 4.866 1.00 44.21 C ATOM 87 OG1 THR A 5 -9.264 7.332 4.725 1.00 30.21 O ATOM 88 CG2 THR A 5 -7.176 6.123 4.744 1.00 15.34 C ATOM 0 H THR A 5 -8.084 3.541 4.616 1.00 73.21 H new ATOM 0 HA THR A 5 -10.390 5.153 3.902 1.00 24.21 H new ATOM 0 HB THR A 5 -8.927 5.616 5.850 1.00 44.21 H new ATOM 0 HG1 THR A 5 -8.867 7.935 5.388 1.00 30.21 H new ATOM 0 HG21 THR A 5 -6.797 6.820 5.491 1.00 15.34 H new ATOM 0 HG22 THR A 5 -6.731 5.141 4.905 1.00 15.34 H new ATOM 0 HG23 THR A 5 -6.914 6.481 3.748 1.00 15.34 H new ATOM 96 N ILE A 6 -9.405 6.495 1.880 1.00 11.11 N ATOM 97 CA ILE A 6 -9.164 6.930 0.507 1.00 30.41 C ATOM 98 C ILE A 6 -7.661 7.122 0.247 1.00 43.23 C ATOM 99 O ILE A 6 -7.191 6.809 -0.830 1.00 74.31 O ATOM 100 CB ILE A 6 -9.935 8.245 0.179 1.00 53.11 C ATOM 101 CG1 ILE A 6 -11.412 8.181 0.646 1.00 61.45 C ATOM 102 CG2 ILE A 6 -9.873 8.551 -1.315 1.00 63.44 C ATOM 103 CD1 ILE A 6 -12.262 7.115 -0.032 1.00 3.02 C ATOM 0 H ILE A 6 -9.994 7.132 2.416 1.00 11.11 H new ATOM 0 HA ILE A 6 -9.537 6.144 -0.150 1.00 30.41 H new ATOM 0 HB ILE A 6 -9.444 9.049 0.728 1.00 53.11 H new ATOM 0 HG12 ILE A 6 -11.429 8.006 1.722 1.00 61.45 H new ATOM 0 HG13 ILE A 6 -11.873 9.154 0.474 1.00 61.45 H new ATOM 0 HG21 ILE A 6 -10.418 9.473 -1.521 1.00 63.44 H new ATOM 0 HG22 ILE A 6 -8.833 8.668 -1.620 1.00 63.44 H new ATOM 0 HG23 ILE A 6 -10.324 7.731 -1.873 1.00 63.44 H new ATOM 0 HD11 ILE A 6 -13.277 7.153 0.364 1.00 3.02 H new ATOM 0 HD12 ILE A 6 -12.285 7.297 -1.106 1.00 3.02 H new ATOM 0 HD13 ILE A 6 -11.834 6.131 0.161 1.00 3.02 H new ATOM 115 N GLU A 7 -6.922 7.548 1.279 1.00 71.02 N ATOM 116 CA GLU A 7 -5.480 7.790 1.182 1.00 73.31 C ATOM 117 C GLU A 7 -4.653 6.503 1.043 1.00 12.12 C ATOM 118 O GLU A 7 -3.688 6.484 0.280 1.00 14.31 O ATOM 119 CB GLU A 7 -5.001 8.583 2.397 1.00 61.44 C ATOM 120 CG GLU A 7 -5.544 10.001 2.451 1.00 14.34 C ATOM 121 CD GLU A 7 -5.102 10.840 1.270 1.00 63.10 C ATOM 122 OE1 GLU A 7 -4.026 11.466 1.353 1.00 45.31 O ATOM 123 OE2 GLU A 7 -5.827 10.875 0.256 1.00 44.44 O ATOM 0 H GLU A 7 -7.309 7.734 2.204 1.00 71.02 H new ATOM 0 HA GLU A 7 -5.323 8.364 0.268 1.00 73.31 H new ATOM 0 HB2 GLU A 7 -5.296 8.055 3.304 1.00 61.44 H new ATOM 0 HB3 GLU A 7 -3.912 8.620 2.390 1.00 61.44 H new ATOM 0 HG2 GLU A 7 -6.633 9.968 2.481 1.00 14.34 H new ATOM 0 HG3 GLU A 7 -5.214 10.477 3.374 1.00 14.34 H new ATOM 130 N GLU A 8 -5.036 5.430 1.762 1.00 72.51 N ATOM 131 CA GLU A 8 -4.312 4.147 1.700 1.00 50.01 C ATOM 132 C GLU A 8 -4.481 3.494 0.336 1.00 51.42 C ATOM 133 O GLU A 8 -3.536 2.945 -0.226 1.00 21.22 O ATOM 134 CB GLU A 8 -4.821 3.181 2.771 1.00 41.50 C ATOM 135 CG GLU A 8 -4.557 3.628 4.197 1.00 31.34 C ATOM 136 CD GLU A 8 -5.153 2.675 5.207 1.00 5.43 C ATOM 137 OE1 GLU A 8 -6.372 2.765 5.461 1.00 13.24 O ATOM 138 OE2 GLU A 8 -4.408 1.825 5.735 1.00 32.02 O ATOM 0 H GLU A 8 -5.840 5.427 2.390 1.00 72.51 H new ATOM 0 HA GLU A 8 -3.258 4.362 1.874 1.00 50.01 H new ATOM 0 HB2 GLU A 8 -5.894 3.045 2.639 1.00 41.50 H new ATOM 0 HB3 GLU A 8 -4.355 2.208 2.616 1.00 41.50 H new ATOM 0 HG2 GLU A 8 -3.482 3.704 4.360 1.00 31.34 H new ATOM 0 HG3 GLU A 8 -4.974 4.624 4.348 1.00 31.34 H new ATOM 145 N THR A 9 -5.705 3.572 -0.180 1.00 34.21 N ATOM 146 CA THR A 9 -6.056 3.016 -1.473 1.00 14.11 C ATOM 147 C THR A 9 -5.502 3.878 -2.628 1.00 33.24 C ATOM 148 O THR A 9 -5.217 3.369 -3.713 1.00 31.21 O ATOM 149 CB THR A 9 -7.583 2.865 -1.579 1.00 44.13 C ATOM 150 OG1 THR A 9 -8.122 2.419 -0.327 1.00 44.22 O ATOM 151 CG2 THR A 9 -7.942 1.856 -2.648 1.00 44.12 C ATOM 0 H THR A 9 -6.484 4.028 0.296 1.00 34.21 H new ATOM 0 HA THR A 9 -5.598 2.031 -1.560 1.00 14.11 H new ATOM 0 HB THR A 9 -8.003 3.837 -1.839 1.00 44.13 H new ATOM 0 HG1 THR A 9 -8.262 3.190 0.262 1.00 44.22 H new ATOM 0 HG21 THR A 9 -9.026 1.761 -2.710 1.00 44.12 H new ATOM 0 HG22 THR A 9 -7.552 2.190 -3.609 1.00 44.12 H new ATOM 0 HG23 THR A 9 -7.507 0.889 -2.396 1.00 44.12 H new ATOM 159 N ASN A 10 -5.359 5.185 -2.380 1.00 0.31 N ATOM 160 CA ASN A 10 -4.726 6.124 -3.321 1.00 63.14 C ATOM 161 C ASN A 10 -3.247 5.793 -3.500 1.00 13.41 C ATOM 162 O ASN A 10 -2.727 5.854 -4.607 1.00 24.44 O ATOM 163 CB ASN A 10 -4.888 7.560 -2.804 1.00 62.25 C ATOM 164 CG ASN A 10 -4.206 8.621 -3.651 1.00 52.40 C ATOM 165 OD1 ASN A 10 -4.108 8.512 -4.873 1.00 0.41 O ATOM 166 ND2 ASN A 10 -3.738 9.666 -2.995 1.00 3.22 N ATOM 0 H ASN A 10 -5.680 5.626 -1.518 1.00 0.31 H new ATOM 0 HA ASN A 10 -5.216 6.033 -4.291 1.00 63.14 H new ATOM 0 HB2 ASN A 10 -5.951 7.792 -2.743 1.00 62.25 H new ATOM 0 HB3 ASN A 10 -4.491 7.614 -1.790 1.00 62.25 H new ATOM 0 HD21 ASN A 10 -3.275 10.421 -3.502 1.00 3.22 H new ATOM 0 HD22 ASN A 10 -3.839 9.719 -1.981 1.00 3.22 H new ATOM 173 N LEU A 11 -2.600 5.411 -2.402 1.00 3.34 N ATOM 174 CA LEU A 11 -1.209 4.981 -2.413 1.00 52.30 C ATOM 175 C LEU A 11 -1.043 3.678 -3.212 1.00 4.32 C ATOM 176 O LEU A 11 -0.026 3.481 -3.884 1.00 11.42 O ATOM 177 CB LEU A 11 -0.727 4.797 -0.974 1.00 63.22 C ATOM 178 CG LEU A 11 0.727 4.372 -0.807 1.00 4.35 C ATOM 179 CD1 LEU A 11 1.666 5.409 -1.383 1.00 42.31 C ATOM 180 CD2 LEU A 11 1.026 4.157 0.647 1.00 33.22 C ATOM 0 H LEU A 11 -3.030 5.392 -1.477 1.00 3.34 H new ATOM 0 HA LEU A 11 -0.604 5.745 -2.901 1.00 52.30 H new ATOM 0 HB2 LEU A 11 -0.874 5.735 -0.439 1.00 63.22 H new ATOM 0 HB3 LEU A 11 -1.360 4.052 -0.492 1.00 63.22 H new ATOM 0 HG LEU A 11 0.879 3.440 -1.351 1.00 4.35 H new ATOM 0 HD11 LEU A 11 2.697 5.080 -1.250 1.00 42.31 H new ATOM 0 HD12 LEU A 11 1.460 5.536 -2.446 1.00 42.31 H new ATOM 0 HD13 LEU A 11 1.519 6.359 -0.869 1.00 42.31 H new ATOM 0 HD21 LEU A 11 2.066 3.853 0.763 1.00 33.22 H new ATOM 0 HD22 LEU A 11 0.855 5.084 1.195 1.00 33.22 H new ATOM 0 HD23 LEU A 11 0.374 3.377 1.041 1.00 33.22 H new ATOM 192 N LEU A 12 -2.070 2.819 -3.151 1.00 61.40 N ATOM 193 CA LEU A 12 -2.132 1.601 -3.956 1.00 1.41 C ATOM 194 C LEU A 12 -2.250 1.938 -5.442 1.00 13.15 C ATOM 195 O LEU A 12 -1.638 1.295 -6.258 1.00 2.43 O ATOM 196 CB LEU A 12 -3.317 0.723 -3.530 1.00 50.42 C ATOM 197 CG LEU A 12 -3.334 0.311 -2.056 1.00 43.14 C ATOM 198 CD1 LEU A 12 -4.598 -0.462 -1.732 1.00 2.22 C ATOM 199 CD2 LEU A 12 -2.115 -0.518 -1.710 1.00 40.52 C ATOM 0 H LEU A 12 -2.877 2.953 -2.542 1.00 61.40 H new ATOM 0 HA LEU A 12 -1.207 1.048 -3.791 1.00 1.41 H new ATOM 0 HB2 LEU A 12 -4.241 1.258 -3.751 1.00 50.42 H new ATOM 0 HB3 LEU A 12 -3.317 -0.179 -4.142 1.00 50.42 H new ATOM 0 HG LEU A 12 -3.314 1.220 -1.455 1.00 43.14 H new ATOM 0 HD11 LEU A 12 -4.591 -0.746 -0.680 1.00 2.22 H new ATOM 0 HD12 LEU A 12 -5.468 0.163 -1.934 1.00 2.22 H new ATOM 0 HD13 LEU A 12 -4.644 -1.359 -2.349 1.00 2.22 H new ATOM 0 HD21 LEU A 12 -2.152 -0.797 -0.657 1.00 40.52 H new ATOM 0 HD22 LEU A 12 -2.101 -1.418 -2.324 1.00 40.52 H new ATOM 0 HD23 LEU A 12 -1.213 0.064 -1.899 1.00 40.52 H new ATOM 211 N SER A 13 -2.990 2.997 -5.776 1.00 20.21 N ATOM 212 CA SER A 13 -3.163 3.442 -7.168 1.00 3.31 C ATOM 213 C SER A 13 -1.840 3.931 -7.795 1.00 22.52 C ATOM 214 O SER A 13 -1.685 3.913 -9.016 1.00 43.31 O ATOM 215 CB SER A 13 -4.209 4.554 -7.236 1.00 2.31 C ATOM 216 OG SER A 13 -5.417 4.161 -6.619 1.00 13.11 O ATOM 0 H SER A 13 -3.486 3.571 -5.095 1.00 20.21 H new ATOM 0 HA SER A 13 -3.500 2.580 -7.743 1.00 3.31 H new ATOM 0 HB2 SER A 13 -3.823 5.449 -6.748 1.00 2.31 H new ATOM 0 HB3 SER A 13 -4.398 4.815 -8.277 1.00 2.31 H new ATOM 0 HG SER A 13 -5.275 4.062 -5.654 1.00 13.11 H new ATOM 222 N ILE A 14 -0.890 4.351 -6.952 1.00 22.10 N ATOM 223 CA ILE A 14 0.398 4.852 -7.416 1.00 24.21 C ATOM 224 C ILE A 14 1.407 3.701 -7.656 1.00 54.13 C ATOM 225 O ILE A 14 2.149 3.724 -8.642 1.00 42.31 O ATOM 226 CB ILE A 14 0.993 5.868 -6.394 1.00 50.04 C ATOM 227 CG1 ILE A 14 -0.066 6.913 -6.005 1.00 14.15 C ATOM 228 CG2 ILE A 14 2.221 6.568 -6.976 1.00 21.42 C ATOM 229 CD1 ILE A 14 0.293 7.760 -4.804 1.00 0.35 C ATOM 0 H ILE A 14 -0.996 4.351 -5.937 1.00 22.10 H new ATOM 0 HA ILE A 14 0.225 5.357 -8.366 1.00 24.21 H new ATOM 0 HB ILE A 14 1.296 5.316 -5.504 1.00 50.04 H new ATOM 0 HG12 ILE A 14 -0.239 7.570 -6.857 1.00 14.15 H new ATOM 0 HG13 ILE A 14 -1.006 6.400 -5.803 1.00 14.15 H new ATOM 0 HG21 ILE A 14 2.619 7.272 -6.245 1.00 21.42 H new ATOM 0 HG22 ILE A 14 2.982 5.826 -7.217 1.00 21.42 H new ATOM 0 HG23 ILE A 14 1.939 7.106 -7.881 1.00 21.42 H new ATOM 0 HD11 ILE A 14 -0.512 8.468 -4.604 1.00 0.35 H new ATOM 0 HD12 ILE A 14 0.435 7.117 -3.935 1.00 0.35 H new ATOM 0 HD13 ILE A 14 1.214 8.306 -5.006 1.00 0.35 H new ATOM 241 N TYR A 15 1.419 2.688 -6.775 1.00 25.31 N ATOM 242 CA TYR A 15 2.528 1.710 -6.756 1.00 42.34 C ATOM 243 C TYR A 15 2.106 0.250 -7.003 1.00 22.14 C ATOM 244 O TYR A 15 2.957 -0.642 -6.989 1.00 2.21 O ATOM 245 CB TYR A 15 3.287 1.811 -5.424 1.00 22.12 C ATOM 246 CG TYR A 15 3.986 3.141 -5.214 1.00 14.31 C ATOM 247 CD1 TYR A 15 5.055 3.518 -6.012 1.00 41.40 C ATOM 248 CD2 TYR A 15 3.565 4.025 -4.233 1.00 65.05 C ATOM 249 CE1 TYR A 15 5.687 4.731 -5.839 1.00 13.21 C ATOM 250 CE2 TYR A 15 4.190 5.247 -4.055 1.00 63.30 C ATOM 251 CZ TYR A 15 5.252 5.593 -4.862 1.00 52.32 C ATOM 252 OH TYR A 15 5.878 6.809 -4.692 1.00 21.23 O ATOM 0 H TYR A 15 0.692 2.523 -6.079 1.00 25.31 H new ATOM 0 HA TYR A 15 3.170 1.978 -7.596 1.00 42.34 H new ATOM 0 HB2 TYR A 15 2.587 1.646 -4.605 1.00 22.12 H new ATOM 0 HB3 TYR A 15 4.027 1.012 -5.377 1.00 22.12 H new ATOM 0 HD1 TYR A 15 5.400 2.848 -6.785 1.00 41.40 H new ATOM 0 HD2 TYR A 15 2.735 3.756 -3.597 1.00 65.05 H new ATOM 0 HE1 TYR A 15 6.521 5.002 -6.469 1.00 13.21 H new ATOM 0 HE2 TYR A 15 3.847 5.926 -3.288 1.00 63.30 H new ATOM 0 HH TYR A 15 5.321 7.388 -4.132 1.00 21.23 H new ATOM 262 N ASN A 16 0.821 -0.009 -7.224 1.00 15.02 N ATOM 263 CA ASN A 16 0.351 -1.377 -7.495 1.00 72.12 C ATOM 264 C ASN A 16 0.460 -1.684 -8.982 1.00 4.44 C ATOM 265 O ASN A 16 -0.102 -0.960 -9.808 1.00 62.01 O ATOM 266 CB ASN A 16 -1.103 -1.564 -7.002 1.00 50.04 C ATOM 267 CG ASN A 16 -1.842 -2.771 -7.570 1.00 71.13 C ATOM 268 OD1 ASN A 16 -1.686 -3.895 -7.099 1.00 13.04 O ATOM 269 ND2 ASN A 16 -2.693 -2.524 -8.558 1.00 23.42 N ATOM 0 H ASN A 16 0.087 0.699 -7.222 1.00 15.02 H new ATOM 0 HA ASN A 16 0.984 -2.077 -6.949 1.00 72.12 H new ATOM 0 HB2 ASN A 16 -1.091 -1.646 -5.915 1.00 50.04 H new ATOM 0 HB3 ASN A 16 -1.669 -0.666 -7.247 1.00 50.04 H new ATOM 0 HD21 ASN A 16 -3.248 -3.282 -8.955 1.00 23.42 H new ATOM 0 HD22 ASN A 16 -2.792 -1.576 -8.920 1.00 23.42 H new ATOM 276 N GLU A 17 1.206 -2.722 -9.326 1.00 12.41 N ATOM 277 CA GLU A 17 1.252 -3.186 -10.713 1.00 24.23 C ATOM 278 C GLU A 17 1.243 -4.718 -10.804 1.00 61.00 C ATOM 279 O GLU A 17 0.983 -5.271 -11.878 1.00 11.35 O ATOM 280 CB GLU A 17 2.472 -2.591 -11.468 1.00 31.55 C ATOM 281 CG GLU A 17 3.828 -3.262 -11.219 1.00 3.54 C ATOM 282 CD GLU A 17 4.348 -3.090 -9.814 1.00 12.33 C ATOM 283 OE1 GLU A 17 5.003 -2.073 -9.556 1.00 71.44 O ATOM 284 OE2 GLU A 17 4.112 -3.973 -8.979 1.00 33.05 O ATOM 0 H GLU A 17 1.783 -3.257 -8.677 1.00 12.41 H new ATOM 0 HA GLU A 17 0.346 -2.825 -11.200 1.00 24.23 H new ATOM 0 HB2 GLU A 17 2.263 -2.631 -12.537 1.00 31.55 H new ATOM 0 HB3 GLU A 17 2.558 -1.538 -11.199 1.00 31.55 H new ATOM 0 HG2 GLU A 17 3.740 -4.327 -11.435 1.00 3.54 H new ATOM 0 HG3 GLU A 17 4.558 -2.854 -11.918 1.00 3.54 H new ATOM 291 N GLY A 18 1.501 -5.399 -9.686 1.00 61.34 N ATOM 292 CA GLY A 18 1.651 -6.839 -9.721 1.00 53.32 C ATOM 293 C GLY A 18 1.404 -7.505 -8.387 1.00 50.12 C ATOM 294 O GLY A 18 2.308 -8.140 -7.835 1.00 41.53 O ATOM 0 H GLY A 18 1.608 -4.977 -8.763 1.00 61.34 H new ATOM 0 HA2 GLY A 18 0.960 -7.250 -10.457 1.00 53.32 H new ATOM 0 HA3 GLY A 18 2.658 -7.083 -10.059 1.00 53.32 H new ATOM 298 N GLY A 19 0.183 -7.364 -7.873 1.00 63.25 N ATOM 299 CA GLY A 19 -0.209 -8.047 -6.649 1.00 41.22 C ATOM 300 C GLY A 19 0.349 -7.406 -5.400 1.00 62.21 C ATOM 301 O GLY A 19 0.758 -6.252 -5.429 1.00 34.23 O ATOM 0 H GLY A 19 -0.547 -6.784 -8.286 1.00 63.25 H new ATOM 0 HA2 GLY A 19 -1.297 -8.065 -6.584 1.00 41.22 H new ATOM 0 HA3 GLY A 19 0.125 -9.083 -6.697 1.00 41.22 H new ATOM 305 N LYS A 20 0.359 -8.167 -4.304 1.00 41.31 N ATOM 306 CA LYS A 20 0.869 -7.686 -3.023 1.00 41.52 C ATOM 307 C LYS A 20 2.398 -7.634 -3.014 1.00 1.31 C ATOM 308 O LYS A 20 2.972 -6.722 -2.421 1.00 43.10 O ATOM 309 CB LYS A 20 0.343 -8.575 -1.885 1.00 41.32 C ATOM 310 CG LYS A 20 1.062 -8.400 -0.559 1.00 50.22 C ATOM 311 CD LYS A 20 0.901 -9.618 0.320 1.00 3.42 C ATOM 312 CE LYS A 20 1.714 -9.486 1.596 1.00 41.24 C ATOM 313 NZ LYS A 20 1.709 -10.728 2.406 1.00 75.41 N ATOM 0 H LYS A 20 0.016 -9.127 -4.281 1.00 41.31 H new ATOM 0 HA LYS A 20 0.510 -6.668 -2.871 1.00 41.52 H new ATOM 0 HB2 LYS A 20 -0.717 -8.365 -1.739 1.00 41.32 H new ATOM 0 HB3 LYS A 20 0.422 -9.618 -2.191 1.00 41.32 H new ATOM 0 HG2 LYS A 20 2.121 -8.217 -0.739 1.00 50.22 H new ATOM 0 HG3 LYS A 20 0.670 -7.523 -0.044 1.00 50.22 H new ATOM 0 HD2 LYS A 20 -0.152 -9.754 0.569 1.00 3.42 H new ATOM 0 HD3 LYS A 20 1.217 -10.507 -0.225 1.00 3.42 H new ATOM 0 HE2 LYS A 20 2.742 -9.226 1.342 1.00 41.24 H new ATOM 0 HE3 LYS A 20 1.316 -8.666 2.193 1.00 41.24 H new ATOM 0 HZ1 LYS A 20 1.751 -10.484 3.416 1.00 75.41 H new ATOM 0 HZ2 LYS A 20 0.838 -11.263 2.215 1.00 75.41 H new ATOM 0 HZ3 LYS A 20 2.534 -11.309 2.156 1.00 75.41 H new ATOM 327 N ARG A 21 3.054 -8.608 -3.655 1.00 12.44 N ATOM 328 CA ARG A 21 4.511 -8.615 -3.743 1.00 71.34 C ATOM 329 C ARG A 21 5.008 -7.444 -4.551 1.00 35.04 C ATOM 330 O ARG A 21 5.868 -6.728 -4.081 1.00 13.13 O ATOM 331 CB ARG A 21 5.040 -9.929 -4.309 1.00 40.13 C ATOM 332 CG ARG A 21 5.471 -10.908 -3.232 1.00 41.24 C ATOM 333 CD ARG A 21 5.765 -12.290 -3.796 1.00 32.14 C ATOM 334 NE ARG A 21 4.594 -12.910 -4.424 1.00 64.41 N ATOM 335 CZ ARG A 21 4.642 -13.980 -5.220 1.00 73.20 C ATOM 336 NH1 ARG A 21 5.802 -14.586 -5.474 1.00 70.15 N ATOM 337 NH2 ARG A 21 3.529 -14.454 -5.762 1.00 14.13 N ATOM 0 H ARG A 21 2.599 -9.395 -4.117 1.00 12.44 H new ATOM 0 HA ARG A 21 4.896 -8.520 -2.728 1.00 71.34 H new ATOM 0 HB2 ARG A 21 4.267 -10.391 -4.924 1.00 40.13 H new ATOM 0 HB3 ARG A 21 5.887 -9.722 -4.964 1.00 40.13 H new ATOM 0 HG2 ARG A 21 6.360 -10.526 -2.730 1.00 41.24 H new ATOM 0 HG3 ARG A 21 4.688 -10.984 -2.478 1.00 41.24 H new ATOM 0 HD2 ARG A 21 6.567 -12.214 -4.530 1.00 32.14 H new ATOM 0 HD3 ARG A 21 6.126 -12.935 -2.995 1.00 32.14 H new ATOM 0 HE ARG A 21 3.681 -12.495 -4.240 1.00 64.41 H new ATOM 0 HH11 ARG A 21 6.664 -14.232 -5.058 1.00 70.15 H new ATOM 0 HH12 ARG A 21 5.828 -15.403 -6.084 1.00 70.15 H new ATOM 0 HH21 ARG A 21 2.635 -14.001 -5.571 1.00 14.13 H new ATOM 0 HH22 ARG A 21 3.566 -15.272 -6.370 1.00 14.13 H new ATOM 351 N GLY A 22 4.426 -7.223 -5.727 1.00 1.31 N ATOM 352 CA GLY A 22 4.775 -6.069 -6.545 1.00 42.15 C ATOM 353 C GLY A 22 4.484 -4.745 -5.854 1.00 53.33 C ATOM 354 O GLY A 22 5.251 -3.805 -6.000 1.00 11.33 O ATOM 0 H GLY A 22 3.712 -7.828 -6.133 1.00 1.31 H new ATOM 0 HA2 GLY A 22 5.834 -6.116 -6.798 1.00 42.15 H new ATOM 0 HA3 GLY A 22 4.221 -6.113 -7.483 1.00 42.15 H new ATOM 358 N LEU A 23 3.397 -4.703 -5.084 1.00 23.10 N ATOM 359 CA LEU A 23 3.017 -3.535 -4.288 1.00 65.14 C ATOM 360 C LEU A 23 4.098 -3.220 -3.239 1.00 53.11 C ATOM 361 O LEU A 23 4.555 -2.085 -3.145 1.00 51.22 O ATOM 362 CB LEU A 23 1.645 -3.820 -3.625 1.00 61.33 C ATOM 363 CG LEU A 23 0.844 -2.629 -3.048 1.00 35.51 C ATOM 364 CD1 LEU A 23 1.332 -2.233 -1.678 1.00 35.43 C ATOM 365 CD2 LEU A 23 0.888 -1.418 -3.964 1.00 22.22 C ATOM 0 H LEU A 23 2.749 -5.486 -4.994 1.00 23.10 H new ATOM 0 HA LEU A 23 2.930 -2.656 -4.927 1.00 65.14 H new ATOM 0 HB2 LEU A 23 1.016 -4.316 -4.364 1.00 61.33 H new ATOM 0 HB3 LEU A 23 1.809 -4.532 -2.817 1.00 61.33 H new ATOM 0 HG LEU A 23 -0.187 -2.973 -2.969 1.00 35.51 H new ATOM 0 HD11 LEU A 23 0.742 -1.393 -1.310 1.00 35.43 H new ATOM 0 HD12 LEU A 23 1.226 -3.077 -0.996 1.00 35.43 H new ATOM 0 HD13 LEU A 23 2.381 -1.942 -1.735 1.00 35.43 H new ATOM 0 HD21 LEU A 23 0.313 -0.605 -3.520 1.00 22.22 H new ATOM 0 HD22 LEU A 23 1.922 -1.100 -4.097 1.00 22.22 H new ATOM 0 HD23 LEU A 23 0.461 -1.679 -4.932 1.00 22.22 H new ATOM 377 N MET A 24 4.500 -4.238 -2.472 1.00 21.21 N ATOM 378 CA MET A 24 5.447 -4.067 -1.368 1.00 70.10 C ATOM 379 C MET A 24 6.862 -3.795 -1.849 1.00 65.55 C ATOM 380 O MET A 24 7.537 -2.955 -1.274 1.00 34.20 O ATOM 381 CB MET A 24 5.446 -5.280 -0.433 1.00 45.54 C ATOM 382 CG MET A 24 4.208 -5.367 0.436 1.00 61.31 C ATOM 383 SD MET A 24 4.370 -6.566 1.767 1.00 51.35 S ATOM 384 CE MET A 24 2.908 -6.188 2.722 1.00 21.33 C ATOM 0 H MET A 24 4.180 -5.198 -2.598 1.00 21.21 H new ATOM 0 HA MET A 24 5.106 -3.191 -0.816 1.00 70.10 H new ATOM 0 HB2 MET A 24 5.528 -6.189 -1.029 1.00 45.54 H new ATOM 0 HB3 MET A 24 6.328 -5.238 0.206 1.00 45.54 H new ATOM 0 HG2 MET A 24 3.999 -4.385 0.861 1.00 61.31 H new ATOM 0 HG3 MET A 24 3.353 -5.634 -0.185 1.00 61.31 H new ATOM 0 HE1 MET A 24 2.914 -6.772 3.642 1.00 21.33 H new ATOM 0 HE2 MET A 24 2.897 -5.126 2.966 1.00 21.33 H new ATOM 0 HE3 MET A 24 2.020 -6.435 2.141 1.00 21.33 H new ATOM 394 N GLU A 25 7.297 -4.488 -2.905 1.00 43.02 N ATOM 395 CA GLU A 25 8.646 -4.323 -3.455 1.00 61.24 C ATOM 396 C GLU A 25 8.819 -2.945 -4.095 1.00 20.41 C ATOM 397 O GLU A 25 9.893 -2.352 -4.002 1.00 35.53 O ATOM 398 CB GLU A 25 8.955 -5.417 -4.478 1.00 13.42 C ATOM 399 CG GLU A 25 8.954 -6.827 -3.899 1.00 53.14 C ATOM 400 CD GLU A 25 9.250 -7.876 -4.945 1.00 35.54 C ATOM 401 OE1 GLU A 25 10.404 -7.938 -5.411 1.00 25.23 O ATOM 402 OE2 GLU A 25 8.346 -8.660 -5.286 1.00 24.00 O ATOM 0 H GLU A 25 6.729 -5.175 -3.400 1.00 43.02 H new ATOM 0 HA GLU A 25 9.349 -4.408 -2.627 1.00 61.24 H new ATOM 0 HB2 GLU A 25 8.221 -5.365 -5.282 1.00 13.42 H new ATOM 0 HB3 GLU A 25 9.930 -5.219 -4.923 1.00 13.42 H new ATOM 0 HG2 GLU A 25 9.696 -6.891 -3.103 1.00 53.14 H new ATOM 0 HG3 GLU A 25 7.983 -7.031 -3.447 1.00 53.14 H new ATOM 409 N ASN A 26 7.747 -2.436 -4.721 1.00 22.02 N ATOM 410 CA ASN A 26 7.737 -1.090 -5.299 1.00 32.44 C ATOM 411 C ASN A 26 7.835 -0.048 -4.192 1.00 60.40 C ATOM 412 O ASN A 26 8.665 0.845 -4.271 1.00 5.12 O ATOM 413 CB ASN A 26 6.462 -0.859 -6.119 1.00 21.24 C ATOM 414 CG ASN A 26 6.530 0.333 -7.068 1.00 13.10 C ATOM 415 OD1 ASN A 26 7.243 1.310 -6.851 1.00 31.33 O ATOM 416 ND2 ASN A 26 5.772 0.264 -8.132 1.00 14.44 N ATOM 0 H ASN A 26 6.870 -2.944 -4.839 1.00 22.02 H new ATOM 0 HA ASN A 26 8.597 -0.995 -5.962 1.00 32.44 H new ATOM 0 HB2 ASN A 26 6.250 -1.757 -6.698 1.00 21.24 H new ATOM 0 HB3 ASN A 26 5.626 -0.716 -5.435 1.00 21.24 H new ATOM 0 HD21 ASN A 26 5.764 1.032 -8.803 1.00 14.44 H new ATOM 0 HD22 ASN A 26 5.189 -0.558 -8.290 1.00 14.44 H new ATOM 423 N ILE A 27 7.001 -0.198 -3.156 1.00 14.30 N ATOM 424 CA ILE A 27 6.965 0.734 -2.025 1.00 64.13 C ATOM 425 C ILE A 27 8.302 0.779 -1.264 1.00 54.32 C ATOM 426 O ILE A 27 8.784 1.864 -0.970 1.00 23.33 O ATOM 427 CB ILE A 27 5.757 0.413 -1.078 1.00 55.51 C ATOM 428 CG1 ILE A 27 4.473 1.001 -1.703 1.00 2.33 C ATOM 429 CG2 ILE A 27 5.966 0.931 0.350 1.00 11.31 C ATOM 430 CD1 ILE A 27 3.209 0.830 -0.875 1.00 55.23 C ATOM 0 H ILE A 27 6.335 -0.966 -3.079 1.00 14.30 H new ATOM 0 HA ILE A 27 6.813 1.735 -2.428 1.00 64.13 H new ATOM 0 HB ILE A 27 5.669 -0.670 -0.987 1.00 55.51 H new ATOM 0 HG12 ILE A 27 4.630 2.065 -1.881 1.00 2.33 H new ATOM 0 HG13 ILE A 27 4.316 0.535 -2.676 1.00 2.33 H new ATOM 0 HG21 ILE A 27 5.098 0.679 0.959 1.00 11.31 H new ATOM 0 HG22 ILE A 27 6.856 0.469 0.778 1.00 11.31 H new ATOM 0 HG23 ILE A 27 6.093 2.013 0.329 1.00 11.31 H new ATOM 0 HD11 ILE A 27 2.366 1.277 -1.402 1.00 55.23 H new ATOM 0 HD12 ILE A 27 3.018 -0.232 -0.718 1.00 55.23 H new ATOM 0 HD13 ILE A 27 3.336 1.322 0.089 1.00 55.23 H new ATOM 442 N ASN A 28 8.912 -0.388 -1.011 1.00 61.14 N ATOM 443 CA ASN A 28 10.195 -0.473 -0.296 1.00 60.24 C ATOM 444 C ASN A 28 11.338 0.180 -1.069 1.00 52.31 C ATOM 445 O ASN A 28 12.206 0.820 -0.475 1.00 10.00 O ATOM 446 CB ASN A 28 10.563 -1.924 0.023 1.00 75.33 C ATOM 447 CG ASN A 28 10.004 -2.389 1.351 1.00 14.30 C ATOM 448 OD1 ASN A 28 10.634 -2.227 2.391 1.00 54.44 O ATOM 449 ND2 ASN A 28 8.826 -2.986 1.327 1.00 0.30 N ATOM 0 H ASN A 28 8.534 -1.293 -1.293 1.00 61.14 H new ATOM 0 HA ASN A 28 10.056 0.076 0.635 1.00 60.24 H new ATOM 0 HB2 ASN A 28 10.191 -2.572 -0.770 1.00 75.33 H new ATOM 0 HB3 ASN A 28 11.648 -2.025 0.034 1.00 75.33 H new ATOM 0 HD21 ASN A 28 8.411 -3.330 2.193 1.00 0.30 H new ATOM 0 HD22 ASN A 28 8.331 -3.103 0.443 1.00 0.30 H new ATOM 456 N ALA A 29 11.313 0.047 -2.393 1.00 32.01 N ATOM 457 CA ALA A 29 12.330 0.657 -3.247 1.00 55.44 C ATOM 458 C ALA A 29 12.095 2.160 -3.422 1.00 51.11 C ATOM 459 O ALA A 29 13.044 2.916 -3.619 1.00 43.23 O ATOM 460 CB ALA A 29 12.365 -0.036 -4.600 1.00 3.31 C ATOM 0 H ALA A 29 10.599 -0.478 -2.898 1.00 32.01 H new ATOM 0 HA ALA A 29 13.295 0.530 -2.757 1.00 55.44 H new ATOM 0 HB1 ALA A 29 13.127 0.428 -5.227 1.00 3.31 H new ATOM 0 HB2 ALA A 29 12.601 -1.091 -4.462 1.00 3.31 H new ATOM 0 HB3 ALA A 29 11.392 0.058 -5.082 1.00 3.31 H new ATOM 466 N ALA A 30 10.841 2.591 -3.317 1.00 53.21 N ATOM 467 CA ALA A 30 10.471 3.980 -3.563 1.00 60.04 C ATOM 468 C ALA A 30 10.233 4.769 -2.274 1.00 74.12 C ATOM 469 O ALA A 30 9.690 5.855 -2.339 1.00 51.40 O ATOM 470 CB ALA A 30 9.236 4.043 -4.455 1.00 50.43 C ATOM 0 H ALA A 30 10.057 1.991 -3.060 1.00 53.21 H new ATOM 0 HA ALA A 30 11.315 4.449 -4.068 1.00 60.04 H new ATOM 0 HB1 ALA A 30 8.968 5.085 -4.633 1.00 50.43 H new ATOM 0 HB2 ALA A 30 9.449 3.556 -5.407 1.00 50.43 H new ATOM 0 HB3 ALA A 30 8.407 3.534 -3.964 1.00 50.43 H new ATOM 476 N LEU A 31 10.673 4.237 -1.121 1.00 50.31 N ATOM 477 CA LEU A 31 10.524 4.922 0.182 1.00 52.41 C ATOM 478 C LEU A 31 11.190 6.327 0.229 1.00 74.11 C ATOM 479 O LEU A 31 10.538 7.276 0.672 1.00 74.40 O ATOM 480 CB LEU A 31 11.030 4.038 1.336 1.00 24.55 C ATOM 481 CG LEU A 31 10.148 2.829 1.681 1.00 63.43 C ATOM 482 CD1 LEU A 31 10.858 1.904 2.653 1.00 42.00 C ATOM 483 CD2 LEU A 31 8.818 3.282 2.267 1.00 22.30 C ATOM 0 H LEU A 31 11.137 3.331 -1.061 1.00 50.31 H new ATOM 0 HA LEU A 31 9.454 5.089 0.308 1.00 52.41 H new ATOM 0 HB2 LEU A 31 12.027 3.677 1.084 1.00 24.55 H new ATOM 0 HB3 LEU A 31 11.131 4.657 2.227 1.00 24.55 H new ATOM 0 HG LEU A 31 9.954 2.281 0.759 1.00 63.43 H new ATOM 0 HD11 LEU A 31 10.215 1.055 2.883 1.00 42.00 H new ATOM 0 HD12 LEU A 31 11.784 1.546 2.204 1.00 42.00 H new ATOM 0 HD13 LEU A 31 11.085 2.446 3.571 1.00 42.00 H new ATOM 0 HD21 LEU A 31 8.209 2.410 2.504 1.00 22.30 H new ATOM 0 HD22 LEU A 31 8.998 3.857 3.175 1.00 22.30 H new ATOM 0 HD23 LEU A 31 8.294 3.904 1.542 1.00 22.30 H new ATOM 495 N PRO A 32 12.474 6.528 -0.230 1.00 54.13 N ATOM 496 CA PRO A 32 13.068 7.874 -0.314 1.00 23.20 C ATOM 497 C PRO A 32 12.686 8.639 -1.599 1.00 73.52 C ATOM 498 O PRO A 32 13.254 9.691 -1.898 1.00 42.22 O ATOM 499 CB PRO A 32 14.583 7.608 -0.287 1.00 4.22 C ATOM 500 CG PRO A 32 14.744 6.132 -0.144 1.00 3.31 C ATOM 501 CD PRO A 32 13.474 5.518 -0.627 1.00 55.53 C ATOM 0 HA PRO A 32 12.710 8.507 0.498 1.00 23.20 H new ATOM 0 HB2 PRO A 32 15.057 7.964 -1.201 1.00 4.22 H new ATOM 0 HB3 PRO A 32 15.056 8.133 0.543 1.00 4.22 H new ATOM 0 HG2 PRO A 32 15.593 5.776 -0.727 1.00 3.31 H new ATOM 0 HG3 PRO A 32 14.935 5.862 0.894 1.00 3.31 H new ATOM 0 HD2 PRO A 32 13.484 5.355 -1.705 1.00 55.53 H new ATOM 0 HD3 PRO A 32 13.285 4.551 -0.160 1.00 55.53 H new ATOM 509 N PHE A 33 11.723 8.104 -2.352 1.00 4.51 N ATOM 510 CA PHE A 33 11.217 8.739 -3.573 1.00 13.42 C ATOM 511 C PHE A 33 9.795 9.252 -3.351 1.00 74.42 C ATOM 512 O PHE A 33 9.194 9.872 -4.233 1.00 43.14 O ATOM 513 CB PHE A 33 11.234 7.751 -4.748 1.00 43.54 C ATOM 514 CG PHE A 33 12.611 7.284 -5.148 1.00 21.13 C ATOM 515 CD1 PHE A 33 13.362 8.006 -6.063 1.00 41.33 C ATOM 516 CD2 PHE A 33 13.154 6.129 -4.608 1.00 15.41 C ATOM 517 CE1 PHE A 33 14.622 7.578 -6.436 1.00 73.22 C ATOM 518 CE2 PHE A 33 14.413 5.698 -4.978 1.00 45.54 C ATOM 519 CZ PHE A 33 15.148 6.426 -5.889 1.00 5.34 C ATOM 0 H PHE A 33 11.270 7.217 -2.133 1.00 4.51 H new ATOM 0 HA PHE A 33 11.868 9.579 -3.814 1.00 13.42 H new ATOM 0 HB2 PHE A 33 10.631 6.882 -4.485 1.00 43.54 H new ATOM 0 HB3 PHE A 33 10.758 8.221 -5.609 1.00 43.54 H new ATOM 0 HD1 PHE A 33 12.958 8.913 -6.489 1.00 41.33 H new ATOM 0 HD2 PHE A 33 12.585 5.559 -3.889 1.00 15.41 H new ATOM 0 HE1 PHE A 33 15.194 8.145 -7.155 1.00 73.22 H new ATOM 0 HE2 PHE A 33 14.821 4.792 -4.554 1.00 45.54 H new ATOM 0 HZ PHE A 33 16.135 6.095 -6.174 1.00 5.34 H new ATOM 529 N MET A 34 9.266 8.974 -2.168 1.00 20.13 N ATOM 530 CA MET A 34 7.936 9.425 -1.776 1.00 3.21 C ATOM 531 C MET A 34 8.007 10.766 -1.062 1.00 63.21 C ATOM 532 O MET A 34 9.092 11.279 -0.776 1.00 31.32 O ATOM 533 CB MET A 34 7.295 8.418 -0.815 1.00 11.23 C ATOM 534 CG MET A 34 6.995 7.068 -1.422 1.00 1.22 C ATOM 535 SD MET A 34 6.482 5.863 -0.189 1.00 4.33 S ATOM 536 CE MET A 34 6.359 4.409 -1.217 1.00 3.13 C ATOM 0 H MET A 34 9.746 8.429 -1.452 1.00 20.13 H new ATOM 0 HA MET A 34 7.342 9.518 -2.685 1.00 3.21 H new ATOM 0 HB2 MET A 34 7.959 8.278 0.038 1.00 11.23 H new ATOM 0 HB3 MET A 34 6.367 8.843 -0.431 1.00 11.23 H new ATOM 0 HG2 MET A 34 6.210 7.175 -2.170 1.00 1.22 H new ATOM 0 HG3 MET A 34 7.881 6.700 -1.940 1.00 1.22 H new ATOM 0 HE1 MET A 34 5.364 3.976 -1.117 1.00 3.13 H new ATOM 0 HE2 MET A 34 6.532 4.683 -2.258 1.00 3.13 H new ATOM 0 HE3 MET A 34 7.106 3.679 -0.905 1.00 3.13 H new ATOM 546 N ASP A 35 6.838 11.324 -0.764 1.00 3.54 N ATOM 547 CA ASP A 35 6.727 12.401 0.217 1.00 71.21 C ATOM 548 C ASP A 35 6.850 11.813 1.613 1.00 1.41 C ATOM 549 O ASP A 35 6.754 10.607 1.773 1.00 42.31 O ATOM 550 CB ASP A 35 5.384 13.121 0.075 1.00 4.51 C ATOM 551 CG ASP A 35 5.389 14.177 -1.005 1.00 1.22 C ATOM 552 OD1 ASP A 35 5.536 13.826 -2.193 1.00 22.41 O ATOM 553 OD2 ASP A 35 5.254 15.373 -0.664 1.00 33.41 O ATOM 0 H ASP A 35 5.952 11.049 -1.188 1.00 3.54 H new ATOM 0 HA ASP A 35 7.524 13.124 0.046 1.00 71.21 H new ATOM 0 HB2 ASP A 35 4.607 12.389 -0.145 1.00 4.51 H new ATOM 0 HB3 ASP A 35 5.125 13.585 1.027 1.00 4.51 H new ATOM 558 N GLU A 36 7.047 12.639 2.631 1.00 22.51 N ATOM 559 CA GLU A 36 7.210 12.128 3.986 1.00 2.02 C ATOM 560 C GLU A 36 5.866 11.645 4.556 1.00 2.13 C ATOM 561 O GLU A 36 5.823 10.688 5.334 1.00 51.44 O ATOM 562 CB GLU A 36 7.833 13.191 4.873 1.00 74.23 C ATOM 563 CG GLU A 36 8.501 12.626 6.113 1.00 31.32 C ATOM 564 CD GLU A 36 9.314 13.658 6.846 1.00 20.32 C ATOM 565 OE1 GLU A 36 10.357 14.078 6.316 1.00 5.21 O ATOM 566 OE2 GLU A 36 8.910 14.066 7.949 1.00 1.10 O ATOM 0 H GLU A 36 7.098 13.654 2.547 1.00 22.51 H new ATOM 0 HA GLU A 36 7.881 11.269 3.957 1.00 2.02 H new ATOM 0 HB2 GLU A 36 8.569 13.750 4.295 1.00 74.23 H new ATOM 0 HB3 GLU A 36 7.061 13.899 5.176 1.00 74.23 H new ATOM 0 HG2 GLU A 36 7.740 12.225 6.782 1.00 31.32 H new ATOM 0 HG3 GLU A 36 9.146 11.794 5.828 1.00 31.32 H new ATOM 573 N ASP A 37 4.771 12.282 4.113 1.00 32.12 N ATOM 574 CA ASP A 37 3.413 11.854 4.472 1.00 11.34 C ATOM 575 C ASP A 37 3.048 10.563 3.754 1.00 71.52 C ATOM 576 O ASP A 37 2.349 9.723 4.299 1.00 64.10 O ATOM 577 CB ASP A 37 2.386 12.925 4.117 1.00 1.02 C ATOM 578 CG ASP A 37 2.523 14.168 4.952 1.00 62.43 C ATOM 579 OD1 ASP A 37 1.938 14.214 6.053 1.00 23.25 O ATOM 580 OD2 ASP A 37 3.210 15.104 4.513 1.00 51.14 O ATOM 0 H ASP A 37 4.802 13.099 3.503 1.00 32.12 H new ATOM 0 HA ASP A 37 3.400 11.689 5.549 1.00 11.34 H new ATOM 0 HB2 ASP A 37 2.491 13.187 3.064 1.00 1.02 H new ATOM 0 HB3 ASP A 37 1.384 12.516 4.245 1.00 1.02 H new ATOM 585 N MET A 38 3.558 10.417 2.531 1.00 71.55 N ATOM 586 CA MET A 38 3.348 9.222 1.718 1.00 52.20 C ATOM 587 C MET A 38 4.208 8.050 2.230 1.00 64.15 C ATOM 588 O MET A 38 3.836 6.899 2.082 1.00 15.14 O ATOM 589 CB MET A 38 3.670 9.557 0.252 1.00 71.04 C ATOM 590 CG MET A 38 3.478 8.414 -0.734 1.00 71.03 C ATOM 591 SD MET A 38 3.843 8.887 -2.434 1.00 4.03 S ATOM 592 CE MET A 38 2.427 9.909 -2.815 1.00 20.54 C ATOM 0 H MET A 38 4.131 11.128 2.076 1.00 71.55 H new ATOM 0 HA MET A 38 2.307 8.907 1.792 1.00 52.20 H new ATOM 0 HB2 MET A 38 3.042 10.392 -0.059 1.00 71.04 H new ATOM 0 HB3 MET A 38 4.704 9.896 0.193 1.00 71.04 H new ATOM 0 HG2 MET A 38 4.121 7.582 -0.448 1.00 71.03 H new ATOM 0 HG3 MET A 38 2.450 8.058 -0.674 1.00 71.03 H new ATOM 0 HE1 MET A 38 2.396 10.102 -3.887 1.00 20.54 H new ATOM 0 HE2 MET A 38 1.515 9.395 -2.512 1.00 20.54 H new ATOM 0 HE3 MET A 38 2.506 10.854 -2.278 1.00 20.54 H new ATOM 602 N ARG A 39 5.337 8.374 2.858 1.00 33.12 N ATOM 603 CA ARG A 39 6.297 7.387 3.356 1.00 24.03 C ATOM 604 C ARG A 39 5.806 6.708 4.638 1.00 50.31 C ATOM 605 O ARG A 39 5.938 5.493 4.793 1.00 40.21 O ATOM 606 CB ARG A 39 7.639 8.079 3.596 1.00 5.22 C ATOM 607 CG ARG A 39 8.789 7.148 3.918 1.00 34.44 C ATOM 608 CD ARG A 39 10.081 7.927 4.053 1.00 62.35 C ATOM 609 NE ARG A 39 11.225 7.059 4.328 1.00 31.51 N ATOM 610 CZ ARG A 39 12.495 7.451 4.273 1.00 50.14 C ATOM 611 NH1 ARG A 39 12.805 8.693 3.923 1.00 30.20 N ATOM 612 NH2 ARG A 39 13.458 6.592 4.564 1.00 44.22 N ATOM 0 H ARG A 39 5.615 9.339 3.038 1.00 33.12 H new ATOM 0 HA ARG A 39 6.410 6.604 2.606 1.00 24.03 H new ATOM 0 HB2 ARG A 39 7.897 8.657 2.709 1.00 5.22 H new ATOM 0 HB3 ARG A 39 7.524 8.788 4.416 1.00 5.22 H new ATOM 0 HG2 ARG A 39 8.582 6.612 4.844 1.00 34.44 H new ATOM 0 HG3 ARG A 39 8.889 6.399 3.132 1.00 34.44 H new ATOM 0 HD2 ARG A 39 10.264 8.486 3.135 1.00 62.35 H new ATOM 0 HD3 ARG A 39 9.980 8.657 4.856 1.00 62.35 H new ATOM 0 HE ARG A 39 11.037 6.088 4.579 1.00 31.51 H new ATOM 0 HH11 ARG A 39 12.066 9.358 3.693 1.00 30.20 H new ATOM 0 HH12 ARG A 39 13.782 8.983 3.884 1.00 30.20 H new ATOM 0 HH21 ARG A 39 13.225 5.635 4.829 1.00 44.22 H new ATOM 0 HH22 ARG A 39 14.434 6.887 4.524 1.00 44.22 H new ATOM 626 N GLU A 40 5.248 7.500 5.561 1.00 21.14 N ATOM 627 CA GLU A 40 4.630 6.950 6.772 1.00 3.13 C ATOM 628 C GLU A 40 3.305 6.252 6.444 1.00 73.14 C ATOM 629 O GLU A 40 2.906 5.314 7.133 1.00 53.45 O ATOM 630 CB GLU A 40 4.414 8.030 7.844 1.00 20.33 C ATOM 631 CG GLU A 40 3.592 9.221 7.383 1.00 61.11 C ATOM 632 CD GLU A 40 3.072 10.050 8.533 1.00 10.41 C ATOM 633 OE1 GLU A 40 3.829 10.888 9.057 1.00 44.52 O ATOM 634 OE2 GLU A 40 1.903 9.855 8.923 1.00 54.12 O ATOM 0 H GLU A 40 5.212 8.517 5.493 1.00 21.14 H new ATOM 0 HA GLU A 40 5.322 6.212 7.178 1.00 3.13 H new ATOM 0 HB2 GLU A 40 3.922 7.576 8.704 1.00 20.33 H new ATOM 0 HB3 GLU A 40 5.387 8.386 8.184 1.00 20.33 H new ATOM 0 HG2 GLU A 40 4.202 9.849 6.734 1.00 61.11 H new ATOM 0 HG3 GLU A 40 2.751 8.868 6.786 1.00 61.11 H new ATOM 641 N LEU A 41 2.633 6.726 5.380 1.00 5.24 N ATOM 642 CA LEU A 41 1.415 6.104 4.872 1.00 75.13 C ATOM 643 C LEU A 41 1.736 4.764 4.230 1.00 43.14 C ATOM 644 O LEU A 41 0.921 3.866 4.271 1.00 21.34 O ATOM 645 CB LEU A 41 0.721 7.028 3.861 1.00 54.20 C ATOM 646 CG LEU A 41 -0.628 6.555 3.303 1.00 74.43 C ATOM 647 CD1 LEU A 41 -1.686 6.475 4.398 1.00 24.12 C ATOM 648 CD2 LEU A 41 -1.079 7.482 2.187 1.00 21.24 C ATOM 0 H LEU A 41 2.925 7.550 4.855 1.00 5.24 H new ATOM 0 HA LEU A 41 0.737 5.937 5.709 1.00 75.13 H new ATOM 0 HB2 LEU A 41 0.571 7.998 4.335 1.00 54.20 H new ATOM 0 HB3 LEU A 41 1.399 7.184 3.022 1.00 54.20 H new ATOM 0 HG LEU A 41 -0.498 5.550 2.900 1.00 74.43 H new ATOM 0 HD11 LEU A 41 -2.629 6.137 3.969 1.00 24.12 H new ATOM 0 HD12 LEU A 41 -1.363 5.771 5.165 1.00 24.12 H new ATOM 0 HD13 LEU A 41 -1.823 7.460 4.844 1.00 24.12 H new ATOM 0 HD21 LEU A 41 -2.037 7.141 1.795 1.00 21.24 H new ATOM 0 HD22 LEU A 41 -1.186 8.495 2.576 1.00 21.24 H new ATOM 0 HD23 LEU A 41 -0.338 7.477 1.388 1.00 21.24 H new ATOM 660 N ALA A 42 2.935 4.642 3.655 1.00 75.22 N ATOM 661 CA ALA A 42 3.404 3.400 3.052 1.00 35.54 C ATOM 662 C ALA A 42 3.521 2.286 4.077 1.00 21.05 C ATOM 663 O ALA A 42 3.076 1.184 3.825 1.00 34.01 O ATOM 664 CB ALA A 42 4.728 3.626 2.351 1.00 12.00 C ATOM 0 H ALA A 42 3.607 5.407 3.596 1.00 75.22 H new ATOM 0 HA ALA A 42 2.664 3.086 2.316 1.00 35.54 H new ATOM 0 HB1 ALA A 42 5.068 2.691 1.905 1.00 12.00 H new ATOM 0 HB2 ALA A 42 4.603 4.376 1.570 1.00 12.00 H new ATOM 0 HB3 ALA A 42 5.467 3.973 3.073 1.00 12.00 H new ATOM 670 N LYS A 43 4.067 2.606 5.252 1.00 60.40 N ATOM 671 CA LYS A 43 4.214 1.639 6.350 1.00 3.42 C ATOM 672 C LYS A 43 2.858 1.259 6.951 1.00 63.35 C ATOM 673 O LYS A 43 2.652 0.121 7.367 1.00 70.11 O ATOM 674 CB LYS A 43 5.112 2.220 7.436 1.00 53.53 C ATOM 675 CG LYS A 43 6.489 2.606 6.929 1.00 73.34 C ATOM 676 CD LYS A 43 7.309 3.259 8.019 1.00 72.43 C ATOM 677 CE LYS A 43 8.679 3.663 7.518 1.00 50.44 C ATOM 678 NZ LYS A 43 9.499 4.272 8.594 1.00 33.14 N ATOM 0 H LYS A 43 4.419 3.538 5.472 1.00 60.40 H new ATOM 0 HA LYS A 43 4.667 0.736 5.941 1.00 3.42 H new ATOM 0 HB2 LYS A 43 4.630 3.099 7.865 1.00 53.53 H new ATOM 0 HB3 LYS A 43 5.219 1.491 8.239 1.00 53.53 H new ATOM 0 HG2 LYS A 43 7.006 1.719 6.563 1.00 73.34 H new ATOM 0 HG3 LYS A 43 6.391 3.289 6.085 1.00 73.34 H new ATOM 0 HD2 LYS A 43 6.784 4.138 8.393 1.00 72.43 H new ATOM 0 HD3 LYS A 43 7.416 2.570 8.857 1.00 72.43 H new ATOM 0 HE2 LYS A 43 9.193 2.788 7.119 1.00 50.44 H new ATOM 0 HE3 LYS A 43 8.572 4.372 6.697 1.00 50.44 H new ATOM 0 HZ1 LYS A 43 10.430 4.536 8.214 1.00 33.14 H new ATOM 0 HZ2 LYS A 43 9.020 5.121 8.957 1.00 33.14 H new ATOM 0 HZ3 LYS A 43 9.622 3.587 9.367 1.00 33.14 H new ATOM 692 N ARG A 44 1.947 2.233 6.966 1.00 22.35 N ATOM 693 CA ARG A 44 0.564 2.050 7.422 1.00 13.24 C ATOM 694 C ARG A 44 -0.192 1.088 6.493 1.00 31.43 C ATOM 695 O ARG A 44 -0.898 0.185 6.944 1.00 42.43 O ATOM 696 CB ARG A 44 -0.115 3.428 7.418 1.00 1.13 C ATOM 697 CG ARG A 44 -1.332 3.570 8.313 1.00 33.14 C ATOM 698 CD ARG A 44 -1.918 4.966 8.169 1.00 45.34 C ATOM 699 NE ARG A 44 -2.658 5.399 9.360 1.00 60.32 N ATOM 700 CZ ARG A 44 -2.816 6.679 9.725 1.00 40.21 C ATOM 701 NH1 ARG A 44 -2.270 7.660 9.016 1.00 60.13 N ATOM 702 NH2 ARG A 44 -3.493 6.979 10.818 1.00 1.13 N ATOM 0 H ARG A 44 2.149 3.184 6.658 1.00 22.35 H new ATOM 0 HA ARG A 44 0.555 1.619 8.423 1.00 13.24 H new ATOM 0 HB2 ARG A 44 0.621 4.175 7.717 1.00 1.13 H new ATOM 0 HB3 ARG A 44 -0.411 3.663 6.395 1.00 1.13 H new ATOM 0 HG2 ARG A 44 -2.080 2.823 8.047 1.00 33.14 H new ATOM 0 HG3 ARG A 44 -1.054 3.388 9.351 1.00 33.14 H new ATOM 0 HD2 ARG A 44 -1.113 5.674 7.970 1.00 45.34 H new ATOM 0 HD3 ARG A 44 -2.583 4.988 7.306 1.00 45.34 H new ATOM 0 HE ARG A 44 -3.079 4.680 9.948 1.00 60.32 H new ATOM 0 HH11 ARG A 44 -1.723 7.444 8.183 1.00 60.13 H new ATOM 0 HH12 ARG A 44 -2.398 8.630 9.305 1.00 60.13 H new ATOM 0 HH21 ARG A 44 -3.898 6.236 11.387 1.00 1.13 H new ATOM 0 HH22 ARG A 44 -3.611 7.954 11.093 1.00 1.13 H new ATOM 716 N THR A 45 0.020 1.280 5.191 1.00 71.25 N ATOM 717 CA THR A 45 -0.624 0.505 4.146 1.00 73.32 C ATOM 718 C THR A 45 -0.029 -0.915 4.041 1.00 71.21 C ATOM 719 O THR A 45 -0.761 -1.872 3.824 1.00 32.21 O ATOM 720 CB THR A 45 -0.534 1.271 2.793 1.00 2.14 C ATOM 721 OG1 THR A 45 -1.142 2.559 2.932 1.00 42.41 O ATOM 722 CG2 THR A 45 -1.243 0.557 1.664 1.00 31.11 C ATOM 0 H THR A 45 0.656 1.992 4.833 1.00 71.25 H new ATOM 0 HA THR A 45 -1.676 0.380 4.403 1.00 73.32 H new ATOM 0 HB THR A 45 0.526 1.342 2.549 1.00 2.14 H new ATOM 0 HG1 THR A 45 -0.534 3.157 3.415 1.00 42.41 H new ATOM 0 HG21 THR A 45 -1.146 1.139 0.747 1.00 31.11 H new ATOM 0 HG22 THR A 45 -0.797 -0.427 1.518 1.00 31.11 H new ATOM 0 HG23 THR A 45 -2.299 0.444 1.911 1.00 31.11 H new ATOM 730 N LEU A 46 1.283 -1.064 4.247 1.00 50.03 N ATOM 731 CA LEU A 46 1.925 -2.386 4.179 1.00 45.21 C ATOM 732 C LEU A 46 1.518 -3.290 5.339 1.00 13.05 C ATOM 733 O LEU A 46 1.445 -4.502 5.171 1.00 4.22 O ATOM 734 CB LEU A 46 3.451 -2.284 4.166 1.00 64.34 C ATOM 735 CG LEU A 46 4.091 -1.566 2.977 1.00 4.40 C ATOM 736 CD1 LEU A 46 5.600 -1.714 3.042 1.00 32.11 C ATOM 737 CD2 LEU A 46 3.557 -2.086 1.651 1.00 62.34 C ATOM 0 H LEU A 46 1.919 -0.295 4.460 1.00 50.03 H new ATOM 0 HA LEU A 46 1.579 -2.824 3.243 1.00 45.21 H new ATOM 0 HB2 LEU A 46 3.764 -1.774 5.077 1.00 64.34 H new ATOM 0 HB3 LEU A 46 3.858 -3.294 4.210 1.00 64.34 H new ATOM 0 HG LEU A 46 3.830 -0.509 3.037 1.00 4.40 H new ATOM 0 HD11 LEU A 46 6.053 -1.201 2.193 1.00 32.11 H new ATOM 0 HD12 LEU A 46 5.969 -1.276 3.969 1.00 32.11 H new ATOM 0 HD13 LEU A 46 5.864 -2.771 3.010 1.00 32.11 H new ATOM 0 HD21 LEU A 46 4.036 -1.551 0.831 1.00 62.34 H new ATOM 0 HD22 LEU A 46 3.773 -3.151 1.564 1.00 62.34 H new ATOM 0 HD23 LEU A 46 2.479 -1.929 1.606 1.00 62.34 H new ATOM 749 N ALA A 47 1.238 -2.686 6.496 1.00 1.44 N ATOM 750 CA ALA A 47 0.890 -3.425 7.713 1.00 52.13 C ATOM 751 C ALA A 47 -0.421 -4.209 7.574 1.00 21.22 C ATOM 752 O ALA A 47 -0.522 -5.341 8.045 1.00 65.43 O ATOM 753 CB ALA A 47 0.809 -2.466 8.890 1.00 25.22 C ATOM 0 H ALA A 47 1.246 -1.673 6.616 1.00 1.44 H new ATOM 0 HA ALA A 47 1.678 -4.158 7.885 1.00 52.13 H new ATOM 0 HB1 ALA A 47 0.550 -3.019 9.793 1.00 25.22 H new ATOM 0 HB2 ALA A 47 1.773 -1.977 9.028 1.00 25.22 H new ATOM 0 HB3 ALA A 47 0.045 -1.713 8.694 1.00 25.22 H new ATOM 759 N LYS A 48 -1.408 -3.619 6.897 1.00 53.22 N ATOM 760 CA LYS A 48 -2.716 -4.256 6.749 1.00 44.20 C ATOM 761 C LYS A 48 -2.810 -5.172 5.508 1.00 1.23 C ATOM 762 O LYS A 48 -3.803 -5.879 5.340 1.00 20.31 O ATOM 763 CB LYS A 48 -3.854 -3.210 6.799 1.00 11.25 C ATOM 764 CG LYS A 48 -3.633 -1.929 5.992 1.00 21.12 C ATOM 765 CD LYS A 48 -3.946 -2.097 4.514 1.00 21.10 C ATOM 766 CE LYS A 48 -3.867 -0.768 3.791 1.00 25.35 C ATOM 767 NZ LYS A 48 -4.185 -0.894 2.348 1.00 64.14 N ATOM 0 H LYS A 48 -1.327 -2.708 6.446 1.00 53.22 H new ATOM 0 HA LYS A 48 -2.841 -4.920 7.605 1.00 44.20 H new ATOM 0 HB2 LYS A 48 -4.770 -3.684 6.445 1.00 11.25 H new ATOM 0 HB3 LYS A 48 -4.020 -2.934 7.840 1.00 11.25 H new ATOM 0 HG2 LYS A 48 -4.258 -1.135 6.402 1.00 21.12 H new ATOM 0 HG3 LYS A 48 -2.597 -1.609 6.104 1.00 21.12 H new ATOM 0 HD2 LYS A 48 -3.244 -2.801 4.067 1.00 21.10 H new ATOM 0 HD3 LYS A 48 -4.943 -2.522 4.395 1.00 21.10 H new ATOM 0 HE2 LYS A 48 -4.558 -0.064 4.253 1.00 25.35 H new ATOM 0 HE3 LYS A 48 -2.865 -0.353 3.905 1.00 25.35 H new ATOM 0 HZ1 LYS A 48 -4.657 -0.027 2.020 1.00 64.14 H new ATOM 0 HZ2 LYS A 48 -3.306 -1.035 1.810 1.00 64.14 H new ATOM 0 HZ3 LYS A 48 -4.815 -1.708 2.201 1.00 64.14 H new ATOM 781 N ILE A 49 -1.787 -5.161 4.645 1.00 21.13 N ATOM 782 CA ILE A 49 -1.738 -6.081 3.495 1.00 61.24 C ATOM 783 C ILE A 49 -0.862 -7.307 3.839 1.00 45.41 C ATOM 784 O ILE A 49 -0.992 -8.371 3.229 1.00 23.22 O ATOM 785 CB ILE A 49 -1.211 -5.380 2.198 1.00 13.25 C ATOM 786 CG1 ILE A 49 -1.993 -4.093 1.917 1.00 63.25 C ATOM 787 CG2 ILE A 49 -1.335 -6.300 0.986 1.00 43.54 C ATOM 788 CD1 ILE A 49 -1.455 -3.296 0.745 1.00 63.33 C ATOM 0 H ILE A 49 -0.987 -4.532 4.717 1.00 21.13 H new ATOM 0 HA ILE A 49 -2.758 -6.408 3.290 1.00 61.24 H new ATOM 0 HB ILE A 49 -0.161 -5.142 2.366 1.00 13.25 H new ATOM 0 HG12 ILE A 49 -3.035 -4.347 1.724 1.00 63.25 H new ATOM 0 HG13 ILE A 49 -1.977 -3.467 2.809 1.00 63.25 H new ATOM 0 HG21 ILE A 49 -0.962 -5.787 0.100 1.00 43.54 H new ATOM 0 HG22 ILE A 49 -0.751 -7.205 1.155 1.00 43.54 H new ATOM 0 HG23 ILE A 49 -2.381 -6.566 0.837 1.00 43.54 H new ATOM 0 HD11 ILE A 49 -2.059 -2.399 0.607 1.00 63.33 H new ATOM 0 HD12 ILE A 49 -0.422 -3.011 0.943 1.00 63.33 H new ATOM 0 HD13 ILE A 49 -1.497 -3.904 -0.159 1.00 63.33 H new ATOM 800 N ALA A 50 0.006 -7.138 4.847 1.00 52.40 N ATOM 801 CA ALA A 50 0.892 -8.199 5.367 1.00 70.33 C ATOM 802 C ALA A 50 0.196 -9.551 5.710 1.00 2.23 C ATOM 803 O ALA A 50 0.749 -10.589 5.348 1.00 53.14 O ATOM 804 CB ALA A 50 1.674 -7.676 6.568 1.00 74.25 C ATOM 0 H ALA A 50 0.117 -6.248 5.334 1.00 52.40 H new ATOM 0 HA ALA A 50 1.563 -8.443 4.543 1.00 70.33 H new ATOM 0 HB1 ALA A 50 2.326 -8.462 6.948 1.00 74.25 H new ATOM 0 HB2 ALA A 50 2.277 -6.820 6.265 1.00 74.25 H new ATOM 0 HB3 ALA A 50 0.979 -7.372 7.350 1.00 74.25 H new ATOM 810 N PRO A 51 -1.011 -9.611 6.386 1.00 25.21 N ATOM 811 CA PRO A 51 -1.677 -10.896 6.683 1.00 74.11 C ATOM 812 C PRO A 51 -2.464 -11.497 5.499 1.00 51.24 C ATOM 813 O PRO A 51 -3.179 -12.485 5.673 1.00 13.23 O ATOM 814 CB PRO A 51 -2.651 -10.555 7.826 1.00 54.45 C ATOM 815 CG PRO A 51 -2.414 -9.127 8.167 1.00 40.44 C ATOM 816 CD PRO A 51 -1.794 -8.500 6.967 1.00 61.22 C ATOM 0 HA PRO A 51 -0.931 -11.653 6.927 1.00 74.11 H new ATOM 0 HB2 PRO A 51 -3.684 -10.714 7.517 1.00 54.45 H new ATOM 0 HB3 PRO A 51 -2.475 -11.195 8.690 1.00 54.45 H new ATOM 0 HG2 PRO A 51 -3.349 -8.630 8.424 1.00 40.44 H new ATOM 0 HG3 PRO A 51 -1.758 -9.039 9.033 1.00 40.44 H new ATOM 0 HD2 PRO A 51 -2.546 -8.127 6.271 1.00 61.22 H new ATOM 0 HD3 PRO A 51 -1.160 -7.654 7.234 1.00 61.22 H new ATOM 824 N LEU A 52 -2.328 -10.918 4.307 1.00 25.11 N ATOM 825 CA LEU A 52 -3.034 -11.413 3.129 1.00 1.53 C ATOM 826 C LEU A 52 -2.095 -12.258 2.268 1.00 43.42 C ATOM 827 O LEU A 52 -0.907 -11.966 2.175 1.00 1.31 O ATOM 828 CB LEU A 52 -3.591 -10.247 2.291 1.00 71.33 C ATOM 829 CG LEU A 52 -4.391 -9.178 3.056 1.00 73.11 C ATOM 830 CD1 LEU A 52 -4.823 -8.070 2.112 1.00 21.25 C ATOM 831 CD2 LEU A 52 -5.604 -9.778 3.747 1.00 4.41 C ATOM 0 H LEU A 52 -1.736 -10.106 4.133 1.00 25.11 H new ATOM 0 HA LEU A 52 -3.867 -12.028 3.469 1.00 1.53 H new ATOM 0 HB2 LEU A 52 -2.756 -9.756 1.790 1.00 71.33 H new ATOM 0 HB3 LEU A 52 -4.231 -10.661 1.512 1.00 71.33 H new ATOM 0 HG LEU A 52 -3.740 -8.762 3.824 1.00 73.11 H new ATOM 0 HD11 LEU A 52 -5.388 -7.320 2.666 1.00 21.25 H new ATOM 0 HD12 LEU A 52 -3.942 -7.606 1.668 1.00 21.25 H new ATOM 0 HD13 LEU A 52 -5.449 -8.487 1.324 1.00 21.25 H new ATOM 0 HD21 LEU A 52 -6.145 -8.994 4.277 1.00 4.41 H new ATOM 0 HD22 LEU A 52 -6.259 -10.232 3.003 1.00 4.41 H new ATOM 0 HD23 LEU A 52 -5.279 -10.539 4.457 1.00 4.41 H new ATOM 843 N THR A 53 -2.642 -13.292 1.630 1.00 3.31 N ATOM 844 CA THR A 53 -1.867 -14.181 0.754 1.00 0.15 C ATOM 845 C THR A 53 -2.040 -13.777 -0.737 1.00 73.44 C ATOM 846 O THR A 53 -1.959 -14.615 -1.650 1.00 5.35 O ATOM 847 CB THR A 53 -2.230 -15.685 1.021 1.00 73.31 C ATOM 848 OG1 THR A 53 -1.292 -16.559 0.375 1.00 43.04 O ATOM 849 CG2 THR A 53 -3.645 -16.056 0.567 1.00 21.24 C ATOM 0 H THR A 53 -3.629 -13.539 1.703 1.00 3.31 H new ATOM 0 HA THR A 53 -0.809 -14.068 0.989 1.00 0.15 H new ATOM 0 HB THR A 53 -2.184 -15.811 2.103 1.00 73.31 H new ATOM 0 HG1 THR A 53 -1.171 -16.278 -0.556 1.00 43.04 H new ATOM 0 HG21 THR A 53 -3.831 -17.109 0.780 1.00 21.24 H new ATOM 0 HG22 THR A 53 -4.371 -15.443 1.102 1.00 21.24 H new ATOM 0 HG23 THR A 53 -3.741 -15.881 -0.504 1.00 21.24 H new ATOM 857 N GLU A 54 -2.287 -12.458 -0.942 1.00 23.02 N ATOM 858 CA GLU A 54 -2.352 -11.757 -2.257 1.00 13.03 C ATOM 859 C GLU A 54 -3.717 -11.887 -2.932 1.00 43.53 C ATOM 860 O GLU A 54 -4.113 -10.994 -3.678 1.00 22.42 O ATOM 861 CB GLU A 54 -1.257 -12.180 -3.256 1.00 13.44 C ATOM 862 CG GLU A 54 0.165 -11.978 -2.765 1.00 33.11 C ATOM 863 CD GLU A 54 1.179 -12.225 -3.846 1.00 42.54 C ATOM 864 OE1 GLU A 54 1.254 -13.360 -4.343 1.00 72.35 O ATOM 865 OE2 GLU A 54 1.898 -11.278 -4.208 1.00 15.13 O ATOM 0 H GLU A 54 -2.454 -11.822 -0.162 1.00 23.02 H new ATOM 0 HA GLU A 54 -2.177 -10.714 -1.995 1.00 13.03 H new ATOM 0 HB2 GLU A 54 -1.396 -13.233 -3.501 1.00 13.44 H new ATOM 0 HB3 GLU A 54 -1.391 -11.617 -4.180 1.00 13.44 H new ATOM 0 HG2 GLU A 54 0.277 -10.961 -2.390 1.00 33.11 H new ATOM 0 HG3 GLU A 54 0.358 -12.649 -1.928 1.00 33.11 H new ATOM 872 N ASN A 55 -4.427 -12.980 -2.660 1.00 43.31 N ATOM 873 CA ASN A 55 -5.752 -13.232 -3.244 1.00 14.41 C ATOM 874 C ASN A 55 -6.803 -12.313 -2.628 1.00 50.31 C ATOM 875 O ASN A 55 -7.735 -11.878 -3.299 1.00 42.24 O ATOM 876 CB ASN A 55 -6.164 -14.696 -3.048 1.00 34.53 C ATOM 877 CG ASN A 55 -5.366 -15.681 -3.891 1.00 13.12 C ATOM 878 OD1 ASN A 55 -4.217 -15.436 -4.255 1.00 74.41 O ATOM 879 ND2 ASN A 55 -5.969 -16.816 -4.187 1.00 10.41 N ATOM 0 H ASN A 55 -4.106 -13.716 -2.031 1.00 43.31 H new ATOM 0 HA ASN A 55 -5.688 -13.024 -4.312 1.00 14.41 H new ATOM 0 HB2 ASN A 55 -6.049 -14.957 -1.996 1.00 34.53 H new ATOM 0 HB3 ASN A 55 -7.222 -14.801 -3.289 1.00 34.53 H new ATOM 0 HD21 ASN A 55 -5.481 -17.525 -4.735 1.00 10.41 H new ATOM 0 HD22 ASN A 55 -6.923 -16.985 -3.868 1.00 10.41 H new ATOM 886 N GLU A 56 -6.616 -12.008 -1.348 1.00 75.45 N ATOM 887 CA GLU A 56 -7.477 -11.087 -0.619 1.00 64.32 C ATOM 888 C GLU A 56 -7.150 -9.643 -0.990 1.00 41.41 C ATOM 889 O GLU A 56 -8.016 -8.778 -0.938 1.00 33.40 O ATOM 890 CB GLU A 56 -7.340 -11.261 0.896 1.00 20.15 C ATOM 891 CG GLU A 56 -7.711 -12.645 1.429 1.00 50.11 C ATOM 892 CD GLU A 56 -6.657 -13.699 1.163 1.00 50.51 C ATOM 893 OE1 GLU A 56 -5.468 -13.400 1.357 1.00 64.30 O ATOM 894 OE2 GLU A 56 -7.010 -14.812 0.732 1.00 3.52 O ATOM 0 H GLU A 56 -5.859 -12.396 -0.785 1.00 75.45 H new ATOM 0 HA GLU A 56 -8.504 -11.317 -0.901 1.00 64.32 H new ATOM 0 HB2 GLU A 56 -6.310 -11.045 1.179 1.00 20.15 H new ATOM 0 HB3 GLU A 56 -7.968 -10.519 1.389 1.00 20.15 H new ATOM 0 HG2 GLU A 56 -7.883 -12.578 2.503 1.00 50.11 H new ATOM 0 HG3 GLU A 56 -8.651 -12.960 0.975 1.00 50.11 H new ATOM 901 N TYR A 57 -5.887 -9.394 -1.356 1.00 34.14 N ATOM 902 CA TYR A 57 -5.471 -8.090 -1.857 1.00 5.24 C ATOM 903 C TYR A 57 -6.022 -7.846 -3.269 1.00 1.44 C ATOM 904 O TYR A 57 -6.284 -6.716 -3.632 1.00 31.40 O ATOM 905 CB TYR A 57 -3.936 -7.932 -1.829 1.00 25.30 C ATOM 906 CG TYR A 57 -3.472 -6.609 -2.408 1.00 64.24 C ATOM 907 CD1 TYR A 57 -3.769 -5.408 -1.773 1.00 65.02 C ATOM 908 CD2 TYR A 57 -2.789 -6.561 -3.613 1.00 52.12 C ATOM 909 CE1 TYR A 57 -3.404 -4.200 -2.333 1.00 35.03 C ATOM 910 CE2 TYR A 57 -2.410 -5.360 -4.171 1.00 25.31 C ATOM 911 CZ TYR A 57 -2.721 -4.183 -3.531 1.00 22.41 C ATOM 912 OH TYR A 57 -2.361 -2.986 -4.100 1.00 62.03 O ATOM 0 H TYR A 57 -5.137 -10.084 -1.312 1.00 34.14 H new ATOM 0 HA TYR A 57 -5.889 -7.335 -1.192 1.00 5.24 H new ATOM 0 HB2 TYR A 57 -3.585 -8.017 -0.801 1.00 25.30 H new ATOM 0 HB3 TYR A 57 -3.481 -8.749 -2.389 1.00 25.30 H new ATOM 0 HD1 TYR A 57 -4.293 -5.420 -0.828 1.00 65.02 H new ATOM 0 HD2 TYR A 57 -2.550 -7.482 -4.124 1.00 52.12 H new ATOM 0 HE1 TYR A 57 -3.652 -3.274 -1.836 1.00 35.03 H new ATOM 0 HE2 TYR A 57 -1.871 -5.343 -5.107 1.00 25.31 H new ATOM 0 HH TYR A 57 -2.775 -2.907 -4.985 1.00 62.03 H new ATOM 922 N ALA A 58 -6.218 -8.910 -4.050 1.00 71.34 N ATOM 923 CA ALA A 58 -6.879 -8.800 -5.358 1.00 31.43 C ATOM 924 C ALA A 58 -8.337 -8.391 -5.199 1.00 73.31 C ATOM 925 O ALA A 58 -8.876 -7.643 -6.011 1.00 71.01 O ATOM 926 CB ALA A 58 -6.823 -10.118 -6.091 1.00 2.24 C ATOM 0 H ALA A 58 -5.930 -9.857 -3.803 1.00 71.34 H new ATOM 0 HA ALA A 58 -6.350 -8.037 -5.929 1.00 31.43 H new ATOM 0 HB1 ALA A 58 -7.317 -10.018 -7.057 1.00 2.24 H new ATOM 0 HB2 ALA A 58 -5.783 -10.406 -6.243 1.00 2.24 H new ATOM 0 HB3 ALA A 58 -7.329 -10.883 -5.502 1.00 2.24 H new ATOM 932 N GLU A 59 -8.946 -8.892 -4.128 1.00 4.10 N ATOM 933 CA GLU A 59 -10.330 -8.617 -3.797 1.00 14.33 C ATOM 934 C GLU A 59 -10.503 -7.168 -3.284 1.00 54.24 C ATOM 935 O GLU A 59 -11.533 -6.536 -3.521 1.00 45.23 O ATOM 936 CB GLU A 59 -10.771 -9.632 -2.751 1.00 1.33 C ATOM 937 CG GLU A 59 -12.262 -9.708 -2.573 1.00 0.23 C ATOM 938 CD GLU A 59 -12.662 -10.527 -1.373 1.00 2.53 C ATOM 939 OE1 GLU A 59 -12.516 -10.037 -0.237 1.00 53.54 O ATOM 940 OE2 GLU A 59 -13.124 -11.669 -1.550 1.00 41.11 O ATOM 0 H GLU A 59 -8.481 -9.508 -3.461 1.00 4.10 H new ATOM 0 HA GLU A 59 -10.953 -8.708 -4.687 1.00 14.33 H new ATOM 0 HB2 GLU A 59 -10.397 -10.616 -3.033 1.00 1.33 H new ATOM 0 HB3 GLU A 59 -10.312 -9.378 -1.795 1.00 1.33 H new ATOM 0 HG2 GLU A 59 -12.664 -8.700 -2.470 1.00 0.23 H new ATOM 0 HG3 GLU A 59 -12.709 -10.140 -3.468 1.00 0.23 H new ATOM 947 N LEU A 60 -9.476 -6.647 -2.608 1.00 54.13 N ATOM 948 CA LEU A 60 -9.479 -5.260 -2.143 1.00 72.22 C ATOM 949 C LEU A 60 -8.960 -4.339 -3.241 1.00 43.34 C ATOM 950 O LEU A 60 -9.759 -3.755 -3.981 1.00 5.34 O ATOM 951 CB LEU A 60 -8.621 -5.096 -0.874 1.00 64.32 C ATOM 952 CG LEU A 60 -9.078 -5.882 0.353 1.00 71.51 C ATOM 953 CD1 LEU A 60 -8.095 -5.692 1.496 1.00 12.42 C ATOM 954 CD2 LEU A 60 -10.464 -5.442 0.777 1.00 44.14 C ATOM 0 H LEU A 60 -8.631 -7.167 -2.371 1.00 54.13 H new ATOM 0 HA LEU A 60 -10.506 -4.989 -1.898 1.00 72.22 H new ATOM 0 HB2 LEU A 60 -7.599 -5.393 -1.110 1.00 64.32 H new ATOM 0 HB3 LEU A 60 -8.594 -4.038 -0.613 1.00 64.32 H new ATOM 0 HG LEU A 60 -9.113 -6.940 0.093 1.00 71.51 H new ATOM 0 HD11 LEU A 60 -8.433 -6.258 2.364 1.00 12.42 H new ATOM 0 HD12 LEU A 60 -7.110 -6.047 1.192 1.00 12.42 H new ATOM 0 HD13 LEU A 60 -8.036 -4.634 1.753 1.00 12.42 H new ATOM 0 HD21 LEU A 60 -10.775 -6.012 1.653 1.00 44.14 H new ATOM 0 HD22 LEU A 60 -10.450 -4.380 1.022 1.00 44.14 H new ATOM 0 HD23 LEU A 60 -11.166 -5.617 -0.038 1.00 44.14 H new ATOM 966 N ALA A 61 -7.616 -4.255 -3.342 1.00 34.33 N ATOM 967 CA ALA A 61 -6.890 -3.454 -4.335 1.00 5.21 C ATOM 968 C ALA A 61 -7.353 -1.994 -4.327 1.00 44.43 C ATOM 969 O ALA A 61 -7.452 -1.380 -3.262 1.00 43.32 O ATOM 970 CB ALA A 61 -6.997 -4.100 -5.722 1.00 30.24 C ATOM 0 H ALA A 61 -6.993 -4.761 -2.713 1.00 34.33 H new ATOM 0 HA ALA A 61 -5.834 -3.437 -4.064 1.00 5.21 H new ATOM 0 HB1 ALA A 61 -6.454 -3.495 -6.448 1.00 30.24 H new ATOM 0 HB2 ALA A 61 -6.568 -5.102 -5.691 1.00 30.24 H new ATOM 0 HB3 ALA A 61 -8.045 -4.163 -6.014 1.00 30.24 H new ATOM 976 N ILE A 62 -7.651 -1.447 -5.499 1.00 61.02 N ATOM 977 CA ILE A 62 -8.138 -0.092 -5.615 1.00 14.05 C ATOM 978 C ILE A 62 -9.673 -0.123 -5.598 1.00 2.13 C ATOM 979 O ILE A 62 -10.323 -0.283 -6.635 1.00 44.04 O ATOM 980 CB ILE A 62 -7.579 0.627 -6.888 1.00 41.21 C ATOM 981 CG1 ILE A 62 -6.038 0.651 -6.901 1.00 34.22 C ATOM 982 CG2 ILE A 62 -8.083 2.054 -6.989 1.00 10.40 C ATOM 983 CD1 ILE A 62 -5.395 -0.526 -7.605 1.00 23.12 C ATOM 0 H ILE A 62 -7.560 -1.935 -6.390 1.00 61.02 H new ATOM 0 HA ILE A 62 -7.780 0.493 -4.768 1.00 14.05 H new ATOM 0 HB ILE A 62 -7.938 0.052 -7.742 1.00 41.21 H new ATOM 0 HG12 ILE A 62 -5.706 1.571 -7.382 1.00 34.22 H new ATOM 0 HG13 ILE A 62 -5.679 0.682 -5.872 1.00 34.22 H new ATOM 0 HG21 ILE A 62 -7.674 2.522 -7.885 1.00 10.40 H new ATOM 0 HG22 ILE A 62 -9.172 2.052 -7.045 1.00 10.40 H new ATOM 0 HG23 ILE A 62 -7.766 2.615 -6.110 1.00 10.40 H new ATOM 0 HD11 ILE A 62 -4.310 -0.426 -7.565 1.00 23.12 H new ATOM 0 HD12 ILE A 62 -5.692 -1.452 -7.112 1.00 23.12 H new ATOM 0 HD13 ILE A 62 -5.719 -0.549 -8.645 1.00 23.12 H new ATOM 995 N PHE A 63 -10.232 -0.066 -4.394 1.00 51.33 N ATOM 996 CA PHE A 63 -11.675 -0.122 -4.213 1.00 33.54 C ATOM 997 C PHE A 63 -12.233 1.230 -3.752 1.00 10.54 C ATOM 998 O PHE A 63 -13.352 1.592 -4.109 1.00 12.10 O ATOM 999 CB PHE A 63 -12.082 -1.270 -3.252 1.00 73.12 C ATOM 1000 CG PHE A 63 -11.712 -1.098 -1.796 1.00 42.33 C ATOM 1001 CD1 PHE A 63 -10.404 -1.242 -1.365 1.00 34.20 C ATOM 1002 CD2 PHE A 63 -12.694 -0.807 -0.858 1.00 71.10 C ATOM 1003 CE1 PHE A 63 -10.084 -1.091 -0.036 1.00 23.24 C ATOM 1004 CE2 PHE A 63 -12.376 -0.659 0.476 1.00 32.25 C ATOM 1005 CZ PHE A 63 -11.068 -0.800 0.886 1.00 74.14 C ATOM 0 H PHE A 63 -9.703 0.019 -3.526 1.00 51.33 H new ATOM 0 HA PHE A 63 -12.120 -0.342 -5.183 1.00 33.54 H new ATOM 0 HB2 PHE A 63 -13.162 -1.401 -3.316 1.00 73.12 H new ATOM 0 HB3 PHE A 63 -11.628 -2.193 -3.612 1.00 73.12 H new ATOM 0 HD1 PHE A 63 -9.628 -1.475 -2.079 1.00 34.20 H new ATOM 0 HD2 PHE A 63 -13.720 -0.695 -1.177 1.00 71.10 H new ATOM 0 HE1 PHE A 63 -9.059 -1.201 0.287 1.00 23.24 H new ATOM 0 HE2 PHE A 63 -13.149 -0.434 1.196 1.00 32.25 H new ATOM 0 HZ PHE A 63 -10.813 -0.683 1.929 1.00 74.14 H new ATOM 1015 N ALA A 64 -11.442 1.978 -2.974 1.00 4.40 N ATOM 1016 CA ALA A 64 -11.862 3.282 -2.474 1.00 22.01 C ATOM 1017 C ALA A 64 -10.757 4.328 -2.655 1.00 63.32 C ATOM 1018 O ALA A 64 -10.177 4.829 -1.690 1.00 24.15 O ATOM 1019 CB ALA A 64 -12.291 3.180 -1.011 1.00 24.01 C ATOM 0 H ALA A 64 -10.507 1.697 -2.679 1.00 4.40 H new ATOM 0 HA ALA A 64 -12.721 3.610 -3.059 1.00 22.01 H new ATOM 0 HB1 ALA A 64 -12.601 4.162 -0.654 1.00 24.01 H new ATOM 0 HB2 ALA A 64 -13.124 2.482 -0.924 1.00 24.01 H new ATOM 0 HB3 ALA A 64 -11.454 2.823 -0.411 1.00 24.01 H new ATOM 1025 N ALA A 65 -10.441 4.615 -3.910 1.00 53.12 N ATOM 1026 CA ALA A 65 -9.457 5.640 -4.262 1.00 35.22 C ATOM 1027 C ALA A 65 -10.010 6.550 -5.342 1.00 53.21 C ATOM 1028 O ALA A 65 -9.279 7.258 -6.027 1.00 73.41 O ATOM 1029 CB ALA A 65 -8.171 5.003 -4.740 1.00 10.40 C ATOM 0 H ALA A 65 -10.857 4.147 -4.715 1.00 53.12 H new ATOM 0 HA ALA A 65 -9.246 6.230 -3.370 1.00 35.22 H new ATOM 0 HB1 ALA A 65 -7.453 5.782 -4.997 1.00 10.40 H new ATOM 0 HB2 ALA A 65 -7.759 4.376 -3.949 1.00 10.40 H new ATOM 0 HB3 ALA A 65 -8.373 4.391 -5.619 1.00 10.40 H new