USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 43 THR OG1 : rot 45:sc= 0.734 USER MOD Set 1.2: A 63 THR OG1 : rot -169:sc= 0.584 USER MOD Set 1.3: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 THR OG1 : rot -59:sc= 0.36 USER MOD Set 2.2: A 93 MET CE :methyl 161:sc= -3.02! (180deg=-4.2!) USER MOD Single : A 13 GLN : amide:sc= -0.586! X(o=-0.59!,f=-0.91) USER MOD Single : A 14 THR OG1 : rot 99:sc= 1.27 USER MOD Single : A 18 GLN : amide:sc= 0.0381 K(o=0.038,f=-1.1) USER MOD Single : A 20 ASN : amide:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.18 (180deg=0.938) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0.486 (180deg=0.324) USER MOD Single : A 29 SER OG : rot 96:sc= 0.0381 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.11) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0246) USER MOD Single : A 62 ASN : amide:sc= -0.108 K(o=-0.11,f=-3.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.859 K(o=0.86,f=-8.1!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -170:sc= -3.13! (180deg=-3.42!) USER MOD Single : A 81 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.21) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 86 CYS SG : rot -145:sc= -1.98! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 161:sc= -0.119 (180deg=-0.616) USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.507) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.094 1.893 -6.955 1.00 0.00 N ATOM 94 CA GLU A 9 4.767 1.572 -7.385 1.00 0.00 C ATOM 95 C GLU A 9 4.697 0.076 -7.709 1.00 0.00 C ATOM 96 O GLU A 9 3.776 -0.621 -7.281 1.00 0.00 O ATOM 97 CB GLU A 9 4.468 2.400 -8.620 1.00 0.00 C ATOM 98 CG GLU A 9 3.027 2.419 -9.056 1.00 0.00 C ATOM 99 CD GLU A 9 2.878 2.999 -10.437 1.00 0.00 C ATOM 100 OE1 GLU A 9 3.018 4.223 -10.598 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.608 2.233 -11.403 1.00 0.00 O ATOM 0 HA GLU A 9 4.035 1.793 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.786 3.426 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.074 2.023 -9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.627 1.405 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.439 3.004 -8.349 1.00 0.00 H new ATOM 108 N TRP A 10 5.716 -0.402 -8.438 1.00 0.00 N ATOM 109 CA TRP A 10 5.861 -1.811 -8.760 1.00 0.00 C ATOM 110 C TRP A 10 5.888 -2.665 -7.501 1.00 0.00 C ATOM 111 O TRP A 10 5.154 -3.632 -7.398 1.00 0.00 O ATOM 112 CB TRP A 10 7.148 -2.083 -9.590 1.00 0.00 C ATOM 113 CG TRP A 10 7.448 -3.567 -9.779 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.941 -4.389 -10.728 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.311 -4.392 -8.960 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.428 -5.664 -10.561 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.265 -5.691 -9.479 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.108 -4.149 -7.844 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.985 -6.748 -8.914 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.818 -5.189 -7.280 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.756 -6.474 -7.809 1.00 0.00 C ATOM 0 H TRP A 10 6.458 0.186 -8.817 1.00 0.00 H new ATOM 0 HA TRP A 10 4.993 -2.083 -9.360 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.046 -1.614 -10.568 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.996 -1.609 -9.096 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.253 -4.087 -11.504 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.201 -6.464 -11.151 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.170 -3.156 -7.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.937 -7.743 -9.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.433 -5.002 -6.412 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.322 -7.268 -7.345 1.00 0.00 H new ATOM 132 N THR A 11 6.716 -2.308 -6.545 1.00 0.00 N ATOM 133 CA THR A 11 6.871 -3.142 -5.378 1.00 0.00 C ATOM 134 C THR A 11 5.571 -3.197 -4.578 1.00 0.00 C ATOM 135 O THR A 11 5.162 -4.269 -4.107 1.00 0.00 O ATOM 136 CB THR A 11 8.041 -2.703 -4.481 1.00 0.00 C ATOM 137 OG1 THR A 11 9.211 -2.425 -5.282 1.00 0.00 O ATOM 138 CG2 THR A 11 8.383 -3.833 -3.535 1.00 0.00 C ATOM 0 H THR A 11 7.283 -1.460 -6.552 1.00 0.00 H new ATOM 0 HA THR A 11 7.110 -4.142 -5.738 1.00 0.00 H new ATOM 0 HB THR A 11 7.747 -1.807 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.461 -3.228 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.212 -3.533 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.515 -4.068 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.669 -4.714 -4.109 1.00 0.00 H new ATOM 146 N LEU A 12 4.919 -2.057 -4.482 1.00 0.00 N ATOM 147 CA LEU A 12 3.643 -1.945 -3.817 1.00 0.00 C ATOM 148 C LEU A 12 2.613 -2.831 -4.508 1.00 0.00 C ATOM 149 O LEU A 12 1.987 -3.689 -3.874 1.00 0.00 O ATOM 150 CB LEU A 12 3.143 -0.512 -3.885 1.00 0.00 C ATOM 151 CG LEU A 12 3.932 0.548 -3.140 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.306 1.911 -3.382 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.972 0.234 -1.656 1.00 0.00 C ATOM 0 H LEU A 12 5.264 -1.178 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 12 3.774 -2.253 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.100 -0.222 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.121 -0.496 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 12 4.957 0.558 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.873 2.672 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.319 2.133 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.276 1.907 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.542 1.004 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.956 0.207 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.447 -0.735 -1.502 1.00 0.00 H new ATOM 165 N GLN A 13 2.470 -2.640 -5.834 1.00 0.00 N ATOM 166 CA GLN A 13 1.474 -3.356 -6.610 1.00 0.00 C ATOM 167 C GLN A 13 1.697 -4.850 -6.532 1.00 0.00 C ATOM 168 O GLN A 13 0.774 -5.577 -6.356 1.00 0.00 O ATOM 169 CB GLN A 13 1.418 -2.891 -8.087 1.00 0.00 C ATOM 170 CG GLN A 13 2.563 -3.350 -8.959 1.00 0.00 C ATOM 171 CD GLN A 13 2.392 -2.937 -10.387 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.840 -1.868 -10.799 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.735 -3.764 -11.151 1.00 0.00 N ATOM 0 H GLN A 13 3.039 -1.992 -6.378 1.00 0.00 H new ATOM 0 HA GLN A 13 0.507 -3.120 -6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.486 -3.246 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.385 -1.802 -8.105 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.497 -2.940 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.645 -4.436 -8.905 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.381 -4.640 -10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.575 -3.535 -12.132 1.00 0.00 H new ATOM 182 N THR A 14 2.952 -5.270 -6.587 1.00 0.00 N ATOM 183 CA THR A 14 3.310 -6.674 -6.564 1.00 0.00 C ATOM 184 C THR A 14 2.793 -7.365 -5.291 1.00 0.00 C ATOM 185 O THR A 14 2.305 -8.479 -5.352 1.00 0.00 O ATOM 186 CB THR A 14 4.837 -6.833 -6.736 1.00 0.00 C ATOM 187 OG1 THR A 14 5.213 -6.168 -7.950 1.00 0.00 O ATOM 188 CG2 THR A 14 5.248 -8.282 -6.872 1.00 0.00 C ATOM 0 H THR A 14 3.752 -4.641 -6.649 1.00 0.00 H new ATOM 0 HA THR A 14 2.825 -7.173 -7.403 1.00 0.00 H new ATOM 0 HB THR A 14 5.323 -6.415 -5.854 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.562 -5.277 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.330 -8.344 -6.991 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.949 -8.830 -5.979 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.762 -8.718 -7.745 1.00 0.00 H new ATOM 196 N LEU A 15 2.833 -6.663 -4.173 1.00 0.00 N ATOM 197 CA LEU A 15 2.311 -7.184 -2.911 1.00 0.00 C ATOM 198 C LEU A 15 0.786 -7.202 -2.954 1.00 0.00 C ATOM 199 O LEU A 15 0.136 -8.173 -2.562 1.00 0.00 O ATOM 200 CB LEU A 15 2.774 -6.293 -1.769 1.00 0.00 C ATOM 201 CG LEU A 15 4.282 -6.232 -1.543 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.628 -5.050 -0.668 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.765 -7.514 -0.875 1.00 0.00 C ATOM 0 H LEU A 15 3.224 -5.723 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 15 2.679 -8.198 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.412 -5.281 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.302 -6.638 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 15 4.774 -6.122 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.706 -5.016 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.302 -4.130 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.126 -5.150 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.842 -7.459 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.265 -7.634 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.534 -8.366 -1.514 1.00 0.00 H new ATOM 215 N LEU A 16 0.226 -6.147 -3.486 1.00 0.00 N ATOM 216 CA LEU A 16 -1.211 -5.987 -3.566 1.00 0.00 C ATOM 217 C LEU A 16 -1.820 -6.872 -4.681 1.00 0.00 C ATOM 218 O LEU A 16 -3.009 -7.048 -4.760 1.00 0.00 O ATOM 219 CB LEU A 16 -1.560 -4.507 -3.759 1.00 0.00 C ATOM 220 CG LEU A 16 -1.070 -3.549 -2.659 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.377 -2.113 -3.024 1.00 0.00 C ATOM 222 CD2 LEU A 16 -1.714 -3.882 -1.328 1.00 0.00 C ATOM 0 H LEU A 16 0.753 -5.367 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.652 -6.323 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.145 -4.178 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.644 -4.417 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 16 0.010 -3.671 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.022 -1.453 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.877 -1.860 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.453 -1.990 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.352 -3.192 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.797 -3.792 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.457 -4.903 -1.044 1.00 0.00 H new ATOM 234 N GLU A 17 -0.991 -7.420 -5.536 1.00 0.00 N ATOM 235 CA GLU A 17 -1.451 -8.361 -6.547 1.00 0.00 C ATOM 236 C GLU A 17 -1.370 -9.785 -5.995 1.00 0.00 C ATOM 237 O GLU A 17 -1.684 -10.771 -6.673 1.00 0.00 O ATOM 238 CB GLU A 17 -0.672 -8.197 -7.861 1.00 0.00 C ATOM 239 CG GLU A 17 -0.912 -6.837 -8.522 1.00 0.00 C ATOM 240 CD GLU A 17 -0.148 -6.639 -9.808 1.00 0.00 C ATOM 241 OE1 GLU A 17 1.012 -6.188 -9.775 1.00 0.00 O ATOM 242 OE2 GLU A 17 -0.708 -6.912 -10.887 1.00 0.00 O ATOM 0 H GLU A 17 0.012 -7.234 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.493 -8.149 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.393 -8.319 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.961 -8.989 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.977 -6.725 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.635 -6.049 -7.821 1.00 0.00 H new ATOM 249 N GLN A 18 -0.946 -9.873 -4.753 1.00 0.00 N ATOM 250 CA GLN A 18 -0.909 -11.122 -4.017 1.00 0.00 C ATOM 251 C GLN A 18 -2.052 -11.123 -3.024 1.00 0.00 C ATOM 252 O GLN A 18 -2.689 -12.144 -2.784 1.00 0.00 O ATOM 253 CB GLN A 18 0.409 -11.258 -3.277 1.00 0.00 C ATOM 254 CG GLN A 18 1.604 -11.186 -4.185 1.00 0.00 C ATOM 255 CD GLN A 18 2.914 -11.244 -3.467 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.052 -11.892 -2.435 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.865 -10.536 -3.980 1.00 0.00 N ATOM 0 H GLN A 18 -0.613 -9.071 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.005 -11.960 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.481 -10.470 -2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.423 -12.208 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.555 -12.008 -4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.556 -10.261 -4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.704 -10.013 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.777 -10.500 -3.524 1.00 0.00 H new ATOM 266 N LEU A 19 -2.306 -9.968 -2.450 1.00 0.00 N ATOM 267 CA LEU A 19 -3.395 -9.807 -1.531 1.00 0.00 C ATOM 268 C LEU A 19 -4.405 -8.857 -2.173 1.00 0.00 C ATOM 269 O LEU A 19 -4.102 -7.710 -2.421 1.00 0.00 O ATOM 270 CB LEU A 19 -2.869 -9.245 -0.181 1.00 0.00 C ATOM 271 CG LEU A 19 -2.565 -7.735 -0.126 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.707 -6.951 0.492 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.245 -7.409 0.497 1.00 0.00 C ATOM 0 H LEU A 19 -1.762 -9.120 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.874 -10.763 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.605 -9.471 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.958 -9.784 0.079 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.476 -7.413 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.452 -5.891 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.610 -7.096 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.880 -7.302 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.101 -6.329 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.224 -7.781 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.446 -7.880 -0.076 1.00 0.00 H new ATOM 285 N ASN A 20 -5.557 -9.340 -2.524 1.00 0.00 N ATOM 286 CA ASN A 20 -6.553 -8.455 -3.141 1.00 0.00 C ATOM 287 C ASN A 20 -7.931 -9.031 -3.189 1.00 0.00 C ATOM 288 O ASN A 20 -8.888 -8.289 -2.981 1.00 0.00 O ATOM 289 CB ASN A 20 -6.128 -7.956 -4.536 1.00 0.00 C ATOM 290 CG ASN A 20 -5.761 -9.072 -5.474 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.574 -9.561 -6.254 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.553 -9.510 -5.365 1.00 0.00 N ATOM 0 H ASN A 20 -5.846 -10.311 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.594 -7.595 -2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.942 -7.376 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.277 -7.283 -4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.240 -10.292 -5.940 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.910 -9.074 -4.704 1.00 0.00 H new ATOM 299 N GLU A 21 -8.022 -10.349 -3.417 1.00 0.00 N ATOM 300 CA GLU A 21 -9.295 -11.084 -3.564 1.00 0.00 C ATOM 301 C GLU A 21 -10.339 -10.609 -2.566 1.00 0.00 C ATOM 302 O GLU A 21 -11.271 -9.889 -2.927 1.00 0.00 O ATOM 303 CB GLU A 21 -9.043 -12.573 -3.421 1.00 0.00 C ATOM 304 CG GLU A 21 -10.266 -13.435 -3.606 1.00 0.00 C ATOM 305 CD GLU A 21 -9.926 -14.882 -3.537 1.00 0.00 C ATOM 306 OE1 GLU A 21 -9.493 -15.449 -4.563 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.057 -15.486 -2.458 1.00 0.00 O ATOM 0 H GLU A 21 -7.201 -10.948 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.694 -10.883 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.289 -12.873 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.625 -12.765 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.001 -13.195 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.727 -13.214 -4.569 1.00 0.00 H new ATOM 314 N ASP A 22 -10.184 -10.973 -1.323 1.00 0.00 N ATOM 315 CA ASP A 22 -11.048 -10.418 -0.310 1.00 0.00 C ATOM 316 C ASP A 22 -10.162 -9.789 0.748 1.00 0.00 C ATOM 317 O ASP A 22 -10.607 -9.127 1.669 1.00 0.00 O ATOM 318 CB ASP A 22 -11.968 -11.492 0.279 1.00 0.00 C ATOM 319 CG ASP A 22 -13.115 -10.906 1.078 1.00 0.00 C ATOM 320 OD1 ASP A 22 -14.112 -10.439 0.448 1.00 0.00 O ATOM 321 OD2 ASP A 22 -13.068 -10.933 2.322 1.00 0.00 O ATOM 0 H ASP A 22 -9.485 -11.636 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.705 -9.661 -0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.369 -12.104 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.384 -12.153 0.920 1.00 0.00 H new ATOM 326 N GLU A 23 -8.873 -9.930 0.506 1.00 0.00 N ATOM 327 CA GLU A 23 -7.815 -9.504 1.410 1.00 0.00 C ATOM 328 C GLU A 23 -7.787 -7.991 1.490 1.00 0.00 C ATOM 329 O GLU A 23 -7.547 -7.397 2.537 1.00 0.00 O ATOM 330 CB GLU A 23 -6.435 -9.959 0.874 1.00 0.00 C ATOM 331 CG GLU A 23 -6.399 -11.290 0.099 1.00 0.00 C ATOM 332 CD GLU A 23 -7.182 -12.405 0.737 1.00 0.00 C ATOM 333 OE1 GLU A 23 -6.796 -12.897 1.811 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.237 -12.774 0.174 1.00 0.00 O ATOM 0 H GLU A 23 -8.520 -10.357 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.010 -9.944 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.048 -9.175 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.751 -10.038 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.785 -11.121 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.361 -11.606 -0.007 1.00 0.00 H new ATOM 341 N LEU A 24 -8.078 -7.375 0.363 1.00 0.00 N ATOM 342 CA LEU A 24 -7.962 -5.949 0.219 1.00 0.00 C ATOM 343 C LEU A 24 -9.016 -5.218 1.029 1.00 0.00 C ATOM 344 O LEU A 24 -8.823 -4.074 1.391 1.00 0.00 O ATOM 345 CB LEU A 24 -8.074 -5.555 -1.235 1.00 0.00 C ATOM 346 CG LEU A 24 -7.291 -4.320 -1.648 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.795 -4.551 -1.474 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.594 -3.982 -3.073 1.00 0.00 C ATOM 0 H LEU A 24 -8.402 -7.855 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.981 -5.662 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.741 -6.394 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.126 -5.389 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.588 -3.488 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.251 -3.656 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.580 -4.772 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.482 -5.391 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.030 -3.096 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.312 -4.818 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.661 -3.785 -3.181 1.00 0.00 H new ATOM 360 N LYS A 25 -10.118 -5.896 1.327 1.00 0.00 N ATOM 361 CA LYS A 25 -11.184 -5.303 2.101 1.00 0.00 C ATOM 362 C LYS A 25 -10.702 -4.915 3.473 1.00 0.00 C ATOM 363 O LYS A 25 -11.007 -3.834 3.975 1.00 0.00 O ATOM 364 CB LYS A 25 -12.357 -6.216 2.200 1.00 0.00 C ATOM 365 CG LYS A 25 -13.129 -6.288 0.912 1.00 0.00 C ATOM 366 CD LYS A 25 -12.553 -7.296 -0.072 1.00 0.00 C ATOM 367 CE LYS A 25 -13.438 -7.494 -1.291 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.747 -8.089 -0.935 1.00 0.00 N ATOM 0 H LYS A 25 -10.290 -6.860 1.040 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.503 -4.401 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.016 -7.214 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.016 -5.874 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.164 -6.552 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.142 -5.302 0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.567 -6.961 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.416 -8.253 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.598 -6.535 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.929 -8.139 -2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.207 -8.456 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.603 -8.867 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.352 -7.363 -0.502 1.00 0.00 H new ATOM 382 N SER A 26 -9.898 -5.792 4.049 1.00 0.00 N ATOM 383 CA SER A 26 -9.270 -5.574 5.285 1.00 0.00 C ATOM 384 C SER A 26 -8.309 -4.392 5.178 1.00 0.00 C ATOM 385 O SER A 26 -8.418 -3.423 5.929 1.00 0.00 O ATOM 386 CB SER A 26 -8.504 -6.828 5.590 1.00 0.00 C ATOM 387 OG SER A 26 -9.371 -7.944 5.693 1.00 0.00 O ATOM 0 H SER A 26 -9.675 -6.696 3.634 1.00 0.00 H new ATOM 0 HA SER A 26 -9.994 -5.347 6.067 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.767 -7.007 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.954 -6.704 6.523 1.00 0.00 H new ATOM 0 HG SER A 26 -8.847 -8.748 5.890 1.00 0.00 H new ATOM 393 N PHE A 27 -7.414 -4.482 4.200 1.00 0.00 N ATOM 394 CA PHE A 27 -6.383 -3.486 3.930 1.00 0.00 C ATOM 395 C PHE A 27 -6.980 -2.070 3.850 1.00 0.00 C ATOM 396 O PHE A 27 -6.525 -1.171 4.554 1.00 0.00 O ATOM 397 CB PHE A 27 -5.669 -3.864 2.612 1.00 0.00 C ATOM 398 CG PHE A 27 -4.528 -2.950 2.172 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.774 -1.707 1.604 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.210 -3.345 2.337 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.735 -0.885 1.215 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.167 -2.524 1.951 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.430 -1.292 1.389 1.00 0.00 C ATOM 0 H PHE A 27 -7.385 -5.272 3.555 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.663 -3.478 4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.276 -4.876 2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.413 -3.890 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.793 -1.378 1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.994 -4.309 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.945 0.078 0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.146 -2.847 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.617 -0.649 1.087 1.00 0.00 H new ATOM 413 N LYS A 28 -8.023 -1.908 3.022 1.00 0.00 N ATOM 414 CA LYS A 28 -8.685 -0.608 2.806 1.00 0.00 C ATOM 415 C LYS A 28 -9.177 -0.021 4.126 1.00 0.00 C ATOM 416 O LYS A 28 -8.940 1.145 4.440 1.00 0.00 O ATOM 417 CB LYS A 28 -9.877 -0.764 1.835 1.00 0.00 C ATOM 418 CG LYS A 28 -9.501 -1.282 0.454 1.00 0.00 C ATOM 419 CD LYS A 28 -10.725 -1.489 -0.437 1.00 0.00 C ATOM 420 CE LYS A 28 -10.324 -2.131 -1.756 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.457 -2.291 -2.696 1.00 0.00 N ATOM 0 H LYS A 28 -8.432 -2.671 2.483 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.952 0.071 2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.604 -1.444 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.369 0.202 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.821 -0.577 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.964 -2.225 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.452 -2.120 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.211 -0.532 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.552 -1.524 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.884 -3.108 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.161 -2.881 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.253 -2.747 -2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.754 -1.357 -3.044 1.00 0.00 H new ATOM 435 N SER A 29 -9.832 -0.848 4.895 1.00 0.00 N ATOM 436 CA SER A 29 -10.371 -0.490 6.149 1.00 0.00 C ATOM 437 C SER A 29 -9.307 -0.141 7.184 1.00 0.00 C ATOM 438 O SER A 29 -9.399 0.889 7.839 1.00 0.00 O ATOM 439 CB SER A 29 -11.194 -1.637 6.606 1.00 0.00 C ATOM 440 OG SER A 29 -12.409 -1.717 5.888 1.00 0.00 O ATOM 0 H SER A 29 -10.003 -1.821 4.643 1.00 0.00 H new ATOM 0 HA SER A 29 -10.967 0.416 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.633 -2.563 6.479 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.404 -1.535 7.671 1.00 0.00 H new ATOM 0 HG SER A 29 -12.310 -2.352 5.148 1.00 0.00 H new ATOM 446 N LEU A 30 -8.327 -1.001 7.333 1.00 0.00 N ATOM 447 CA LEU A 30 -7.210 -0.798 8.276 1.00 0.00 C ATOM 448 C LEU A 30 -6.473 0.500 7.968 1.00 0.00 C ATOM 449 O LEU A 30 -6.042 1.235 8.873 1.00 0.00 O ATOM 450 CB LEU A 30 -6.257 -1.972 8.176 1.00 0.00 C ATOM 451 CG LEU A 30 -6.849 -3.327 8.534 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.902 -4.423 8.104 1.00 0.00 C ATOM 453 CD2 LEU A 30 -7.107 -3.421 10.028 1.00 0.00 C ATOM 0 H LEU A 30 -8.266 -1.873 6.808 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.607 -0.730 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.873 -2.020 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.405 -1.783 8.829 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.799 -3.443 8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.327 -5.393 8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.748 -4.369 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.947 -4.299 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.530 -4.397 10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.169 -3.292 10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.807 -2.641 10.326 1.00 0.00 H new ATOM 465 N LEU A 31 -6.354 0.774 6.704 1.00 0.00 N ATOM 466 CA LEU A 31 -5.764 1.992 6.192 1.00 0.00 C ATOM 467 C LEU A 31 -6.636 3.209 6.546 1.00 0.00 C ATOM 468 O LEU A 31 -6.136 4.305 6.733 1.00 0.00 O ATOM 469 CB LEU A 31 -5.578 1.814 4.677 1.00 0.00 C ATOM 470 CG LEU A 31 -5.642 3.050 3.764 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.365 3.865 3.799 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.010 2.651 2.351 1.00 0.00 C ATOM 0 H LEU A 31 -6.673 0.141 5.970 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.793 2.181 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.610 1.339 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.338 1.112 4.333 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.427 3.699 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.464 4.725 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.181 4.209 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.530 3.247 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.050 3.539 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.261 1.963 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.985 2.163 2.353 1.00 0.00 H new ATOM 484 N TRP A 32 -7.917 2.992 6.695 1.00 0.00 N ATOM 485 CA TRP A 32 -8.812 4.059 7.055 1.00 0.00 C ATOM 486 C TRP A 32 -9.029 4.074 8.568 1.00 0.00 C ATOM 487 O TRP A 32 -9.865 4.818 9.086 1.00 0.00 O ATOM 488 CB TRP A 32 -10.146 3.892 6.344 1.00 0.00 C ATOM 489 CG TRP A 32 -10.590 5.157 5.697 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.590 6.008 6.077 1.00 0.00 C ATOM 491 CD2 TRP A 32 -9.998 5.714 4.548 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.656 7.064 5.188 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.678 6.896 4.236 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.950 5.300 3.753 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.333 7.680 3.139 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.598 6.067 2.662 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.291 7.249 2.363 1.00 0.00 C ATOM 0 H TRP A 32 -8.364 2.083 6.572 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.366 5.005 6.749 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -10.061 3.109 5.591 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.901 3.565 7.059 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.229 5.876 6.938 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.319 7.838 5.231 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.414 4.391 3.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.866 8.591 2.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.779 5.754 2.031 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.996 7.831 1.503 1.00 0.00 H new ATOM 508 N ALA A 33 -8.291 3.235 9.266 1.00 0.00 N ATOM 509 CA ALA A 33 -8.403 3.125 10.708 1.00 0.00 C ATOM 510 C ALA A 33 -7.257 3.839 11.400 1.00 0.00 C ATOM 511 O ALA A 33 -7.438 4.410 12.475 1.00 0.00 O ATOM 512 CB ALA A 33 -8.457 1.666 11.137 1.00 0.00 C ATOM 0 H ALA A 33 -7.598 2.611 8.852 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.334 3.607 11.007 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.541 1.609 12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.322 1.184 10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.547 1.159 10.816 1.00 0.00 H new ATOM 518 N PHE A 34 -6.077 3.823 10.780 1.00 0.00 N ATOM 519 CA PHE A 34 -4.923 4.493 11.349 1.00 0.00 C ATOM 520 C PHE A 34 -5.094 6.005 11.138 1.00 0.00 C ATOM 521 O PHE A 34 -5.938 6.407 10.350 1.00 0.00 O ATOM 522 CB PHE A 34 -3.590 3.948 10.714 1.00 0.00 C ATOM 523 CG PHE A 34 -3.276 4.355 9.289 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.921 5.659 8.970 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.307 3.422 8.281 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.627 6.015 7.686 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.004 3.780 6.988 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.669 5.076 6.693 1.00 0.00 C ATOM 0 H PHE A 34 -5.902 3.355 9.891 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.854 4.291 12.418 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.761 4.268 11.345 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.619 2.859 10.754 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.877 6.404 9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.571 2.399 8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.362 7.036 7.455 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.030 3.038 6.203 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.438 5.356 5.676 1.00 0.00 H new ATOM 672 N THR A 43 -7.134 11.381 -0.110 1.00 0.00 N ATOM 673 CA THR A 43 -7.298 10.065 -0.735 1.00 0.00 C ATOM 674 C THR A 43 -8.778 9.739 -1.056 1.00 0.00 C ATOM 675 O THR A 43 -9.620 9.635 -0.153 1.00 0.00 O ATOM 676 CB THR A 43 -6.704 8.971 0.176 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.376 9.362 0.580 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.629 7.633 -0.546 1.00 0.00 C ATOM 0 HA THR A 43 -6.761 10.091 -1.683 1.00 0.00 H new ATOM 0 HB THR A 43 -7.352 8.859 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.381 10.304 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.206 6.882 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.630 7.326 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.997 7.731 -1.429 1.00 0.00 H new ATOM 686 N PRO A 44 -9.106 9.630 -2.355 1.00 0.00 N ATOM 687 CA PRO A 44 -10.463 9.330 -2.804 1.00 0.00 C ATOM 688 C PRO A 44 -10.867 7.872 -2.535 1.00 0.00 C ATOM 689 O PRO A 44 -10.407 6.944 -3.225 1.00 0.00 O ATOM 690 CB PRO A 44 -10.404 9.606 -4.316 1.00 0.00 C ATOM 691 CG PRO A 44 -8.969 9.395 -4.686 1.00 0.00 C ATOM 692 CD PRO A 44 -8.172 9.836 -3.500 1.00 0.00 C ATOM 0 HA PRO A 44 -11.207 9.926 -2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.058 8.931 -4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.727 10.621 -4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.776 8.348 -4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.705 9.973 -5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.262 9.247 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.867 10.879 -3.587 1.00 0.00 H new ATOM 700 N TRP A 45 -11.716 7.660 -1.532 1.00 0.00 N ATOM 701 CA TRP A 45 -12.170 6.316 -1.187 1.00 0.00 C ATOM 702 C TRP A 45 -12.973 5.707 -2.324 1.00 0.00 C ATOM 703 O TRP A 45 -12.934 4.509 -2.534 1.00 0.00 O ATOM 704 CB TRP A 45 -12.983 6.293 0.120 1.00 0.00 C ATOM 705 CG TRP A 45 -13.498 4.922 0.489 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.651 4.342 0.053 1.00 0.00 C ATOM 707 CD2 TRP A 45 -12.878 3.961 1.351 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.786 3.099 0.589 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.722 2.835 1.391 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.705 3.940 2.089 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.425 1.703 2.140 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.410 2.815 2.832 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.266 1.714 2.853 1.00 0.00 C ATOM 0 H TRP A 45 -12.102 8.400 -0.946 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.277 5.712 -1.025 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.360 6.668 0.932 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.828 6.975 0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.357 4.803 -0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.565 2.464 0.416 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.035 4.787 2.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.087 0.850 2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.498 2.787 3.409 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.003 0.852 3.448 1.00 0.00 H new ATOM 724 N SER A 46 -13.658 6.537 -3.076 1.00 0.00 N ATOM 725 CA SER A 46 -14.452 6.081 -4.197 1.00 0.00 C ATOM 726 C SER A 46 -13.576 5.329 -5.226 1.00 0.00 C ATOM 727 O SER A 46 -14.041 4.413 -5.914 1.00 0.00 O ATOM 728 CB SER A 46 -15.120 7.273 -4.822 1.00 0.00 C ATOM 729 OG SER A 46 -15.685 8.092 -3.812 1.00 0.00 O ATOM 0 H SER A 46 -13.682 7.546 -2.930 1.00 0.00 H new ATOM 0 HA SER A 46 -15.210 5.378 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.396 7.844 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.896 6.945 -5.514 1.00 0.00 H new ATOM 0 HG SER A 46 -16.118 8.869 -4.225 1.00 0.00 H new ATOM 735 N GLU A 47 -12.305 5.707 -5.308 1.00 0.00 N ATOM 736 CA GLU A 47 -11.371 5.001 -6.142 1.00 0.00 C ATOM 737 C GLU A 47 -10.912 3.755 -5.422 1.00 0.00 C ATOM 738 O GLU A 47 -10.902 2.681 -5.999 1.00 0.00 O ATOM 739 CB GLU A 47 -10.174 5.874 -6.527 1.00 0.00 C ATOM 740 CG GLU A 47 -10.529 7.037 -7.424 1.00 0.00 C ATOM 741 CD GLU A 47 -11.289 6.597 -8.657 1.00 0.00 C ATOM 742 OE1 GLU A 47 -10.682 6.067 -9.604 1.00 0.00 O ATOM 743 OE2 GLU A 47 -12.524 6.760 -8.697 1.00 0.00 O ATOM 0 H GLU A 47 -11.909 6.500 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.874 4.728 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.709 6.257 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.431 5.254 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.130 7.754 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.617 7.552 -7.726 1.00 0.00 H new ATOM 750 N VAL A 48 -10.597 3.915 -4.132 1.00 0.00 N ATOM 751 CA VAL A 48 -10.142 2.821 -3.257 1.00 0.00 C ATOM 752 C VAL A 48 -11.137 1.646 -3.288 1.00 0.00 C ATOM 753 O VAL A 48 -10.739 0.487 -3.339 1.00 0.00 O ATOM 754 CB VAL A 48 -9.977 3.313 -1.778 1.00 0.00 C ATOM 755 CG1 VAL A 48 -9.571 2.186 -0.843 1.00 0.00 C ATOM 756 CG2 VAL A 48 -8.984 4.452 -1.686 1.00 0.00 C ATOM 0 H VAL A 48 -10.650 4.816 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.175 2.487 -3.632 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.954 3.675 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.468 2.573 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.334 1.408 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.619 1.767 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.891 4.771 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.013 4.118 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.332 5.288 -2.293 1.00 0.00 H new ATOM 766 N GLU A 49 -12.420 1.980 -3.264 1.00 0.00 N ATOM 767 CA GLU A 49 -13.513 1.037 -3.333 1.00 0.00 C ATOM 768 C GLU A 49 -13.382 0.121 -4.525 1.00 0.00 C ATOM 769 O GLU A 49 -13.320 -1.095 -4.379 1.00 0.00 O ATOM 770 CB GLU A 49 -14.832 1.791 -3.447 1.00 0.00 C ATOM 771 CG GLU A 49 -15.620 1.910 -2.179 1.00 0.00 C ATOM 772 CD GLU A 49 -16.940 2.602 -2.389 1.00 0.00 C ATOM 773 OE1 GLU A 49 -17.809 2.056 -3.092 1.00 0.00 O ATOM 774 OE2 GLU A 49 -17.151 3.683 -1.839 1.00 0.00 O ATOM 0 H GLU A 49 -12.732 2.948 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.488 0.436 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.626 2.794 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.451 1.293 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.795 0.916 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.037 2.461 -1.442 1.00 0.00 H new ATOM 781 N GLU A 50 -13.278 0.714 -5.680 1.00 0.00 N ATOM 782 CA GLU A 50 -13.278 -0.023 -6.909 1.00 0.00 C ATOM 783 C GLU A 50 -11.944 -0.667 -7.199 1.00 0.00 C ATOM 784 O GLU A 50 -11.866 -1.729 -7.828 1.00 0.00 O ATOM 785 CB GLU A 50 -13.671 0.881 -8.039 1.00 0.00 C ATOM 786 CG GLU A 50 -15.060 1.388 -7.865 1.00 0.00 C ATOM 787 CD GLU A 50 -16.069 0.287 -7.827 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.156 -0.485 -8.786 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.813 0.194 -6.836 1.00 0.00 O ATOM 0 H GLU A 50 -13.191 1.724 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.004 -0.829 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.979 1.721 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.593 0.342 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.120 1.964 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.300 2.069 -8.682 1.00 0.00 H new ATOM 796 N ALA A 51 -10.906 -0.030 -6.730 1.00 0.00 N ATOM 797 CA ALA A 51 -9.562 -0.448 -6.976 1.00 0.00 C ATOM 798 C ALA A 51 -9.202 -1.706 -6.262 1.00 0.00 C ATOM 799 O ALA A 51 -9.663 -1.983 -5.138 1.00 0.00 O ATOM 800 CB ALA A 51 -8.602 0.630 -6.586 1.00 0.00 C ATOM 0 H ALA A 51 -10.977 0.810 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.495 -0.647 -8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.582 0.297 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.807 1.528 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.716 0.852 -5.525 1.00 0.00 H new ATOM 806 N ASP A 52 -8.380 -2.458 -6.910 1.00 0.00 N ATOM 807 CA ASP A 52 -7.857 -3.651 -6.369 1.00 0.00 C ATOM 808 C ASP A 52 -6.409 -3.722 -6.738 1.00 0.00 C ATOM 809 O ASP A 52 -6.008 -3.112 -7.728 1.00 0.00 O ATOM 810 CB ASP A 52 -8.591 -4.887 -6.896 1.00 0.00 C ATOM 811 CG ASP A 52 -8.267 -5.230 -8.345 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.736 -4.520 -9.268 1.00 0.00 O ATOM 813 OD2 ASP A 52 -7.533 -6.230 -8.582 1.00 0.00 O ATOM 0 H ASP A 52 -8.049 -2.250 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.988 -3.641 -5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.341 -5.741 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.665 -4.726 -6.803 1.00 0.00 H new ATOM 818 N GLY A 53 -5.631 -4.373 -5.888 1.00 0.00 N ATOM 819 CA GLY A 53 -4.222 -4.649 -6.130 1.00 0.00 C ATOM 820 C GLY A 53 -3.415 -3.482 -6.674 1.00 0.00 C ATOM 821 O GLY A 53 -3.118 -2.520 -5.952 1.00 0.00 O ATOM 0 H GLY A 53 -5.966 -4.731 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.768 -4.979 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.147 -5.480 -6.832 1.00 0.00 H new ATOM 825 N LYS A 54 -3.121 -3.553 -7.973 1.00 0.00 N ATOM 826 CA LYS A 54 -2.299 -2.572 -8.679 1.00 0.00 C ATOM 827 C LYS A 54 -2.912 -1.209 -8.571 1.00 0.00 C ATOM 828 O LYS A 54 -2.222 -0.218 -8.326 1.00 0.00 O ATOM 829 CB LYS A 54 -2.180 -2.938 -10.171 1.00 0.00 C ATOM 830 CG LYS A 54 -1.081 -2.178 -10.938 1.00 0.00 C ATOM 831 CD LYS A 54 -1.577 -1.247 -12.057 1.00 0.00 C ATOM 832 CE LYS A 54 -2.134 0.051 -11.515 1.00 0.00 C ATOM 833 NZ LYS A 54 -2.521 1.006 -12.579 1.00 0.00 N ATOM 0 H LYS A 54 -3.454 -4.307 -8.573 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.310 -2.573 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.988 -4.008 -10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.138 -2.748 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.507 -1.586 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.396 -2.906 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.755 -1.031 -12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.346 -1.757 -12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.004 -0.165 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.390 0.517 -10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.105 1.763 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.666 1.419 -13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.065 0.507 -13.312 1.00 0.00 H new ATOM 847 N LYS A 55 -4.211 -1.153 -8.741 1.00 0.00 N ATOM 848 CA LYS A 55 -4.899 0.100 -8.735 1.00 0.00 C ATOM 849 C LYS A 55 -4.830 0.776 -7.399 1.00 0.00 C ATOM 850 O LYS A 55 -4.728 1.986 -7.325 1.00 0.00 O ATOM 851 CB LYS A 55 -6.339 -0.029 -9.174 1.00 0.00 C ATOM 852 CG LYS A 55 -6.547 -0.089 -10.668 1.00 0.00 C ATOM 853 CD LYS A 55 -6.126 1.205 -11.371 1.00 0.00 C ATOM 854 CE LYS A 55 -6.946 2.410 -10.918 1.00 0.00 C ATOM 855 NZ LYS A 55 -8.366 2.308 -11.311 1.00 0.00 N ATOM 0 H LYS A 55 -4.808 -1.967 -8.885 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.380 0.723 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.760 -0.930 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.901 0.816 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.977 -0.923 -11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.598 -0.287 -10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.070 1.394 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.234 1.081 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.878 2.505 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.519 3.317 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.857 3.193 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.432 2.143 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.811 1.517 -10.803 1.00 0.00 H new ATOM 869 N LEU A 56 -4.855 -0.004 -6.350 1.00 0.00 N ATOM 870 CA LEU A 56 -4.800 0.560 -5.041 1.00 0.00 C ATOM 871 C LEU A 56 -3.421 1.174 -4.779 1.00 0.00 C ATOM 872 O LEU A 56 -3.320 2.227 -4.173 1.00 0.00 O ATOM 873 CB LEU A 56 -5.213 -0.439 -3.962 1.00 0.00 C ATOM 874 CG LEU A 56 -5.429 0.169 -2.564 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.396 1.344 -2.625 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.976 -0.866 -1.625 1.00 0.00 C ATOM 0 H LEU A 56 -4.913 -1.022 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.533 1.365 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.135 -0.930 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.448 -1.212 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.463 0.521 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.532 1.756 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.992 2.114 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.357 1.005 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.124 -0.422 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.930 -1.234 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.273 -1.695 -1.547 1.00 0.00 H new ATOM 888 N ALA A 57 -2.372 0.541 -5.312 1.00 0.00 N ATOM 889 CA ALA A 57 -0.999 1.076 -5.213 1.00 0.00 C ATOM 890 C ALA A 57 -0.926 2.448 -5.882 1.00 0.00 C ATOM 891 O ALA A 57 -0.233 3.357 -5.413 1.00 0.00 O ATOM 892 CB ALA A 57 -0.010 0.132 -5.884 1.00 0.00 C ATOM 0 H ALA A 57 -2.441 -0.342 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.740 1.170 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.997 0.541 -5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.047 -0.841 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.271 0.019 -6.936 1.00 0.00 H new ATOM 898 N GLU A 58 -1.695 2.592 -6.948 1.00 0.00 N ATOM 899 CA GLU A 58 -1.770 3.821 -7.719 1.00 0.00 C ATOM 900 C GLU A 58 -2.433 4.930 -6.876 1.00 0.00 C ATOM 901 O GLU A 58 -2.119 6.115 -7.011 1.00 0.00 O ATOM 902 CB GLU A 58 -2.581 3.563 -8.991 1.00 0.00 C ATOM 903 CG GLU A 58 -2.608 4.708 -9.977 1.00 0.00 C ATOM 904 CD GLU A 58 -3.541 4.442 -11.127 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.429 3.376 -11.768 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.431 5.281 -11.392 1.00 0.00 O ATOM 0 H GLU A 58 -2.293 1.848 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.766 4.148 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.175 2.683 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.606 3.324 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.915 5.620 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.602 4.881 -10.359 1.00 0.00 H new ATOM 913 N ILE A 59 -3.323 4.528 -6.007 1.00 0.00 N ATOM 914 CA ILE A 59 -4.024 5.439 -5.129 1.00 0.00 C ATOM 915 C ILE A 59 -3.153 5.772 -3.906 1.00 0.00 C ATOM 916 O ILE A 59 -3.200 6.875 -3.385 1.00 0.00 O ATOM 917 CB ILE A 59 -5.384 4.829 -4.729 1.00 0.00 C ATOM 918 CG1 ILE A 59 -6.194 4.600 -6.002 1.00 0.00 C ATOM 919 CG2 ILE A 59 -6.146 5.757 -3.783 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.295 3.615 -5.867 1.00 0.00 C ATOM 0 H ILE A 59 -3.587 3.550 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.221 6.377 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.220 3.887 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.614 5.552 -6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.520 4.265 -6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.100 5.302 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.558 5.919 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.324 6.713 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.815 3.517 -6.820 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.884 2.648 -5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.996 3.955 -5.105 1.00 0.00 H new ATOM 932 N LEU A 60 -2.332 4.826 -3.481 1.00 0.00 N ATOM 933 CA LEU A 60 -1.368 5.094 -2.411 1.00 0.00 C ATOM 934 C LEU A 60 -0.331 6.115 -2.873 1.00 0.00 C ATOM 935 O LEU A 60 -0.023 7.059 -2.160 1.00 0.00 O ATOM 936 CB LEU A 60 -0.661 3.812 -1.896 1.00 0.00 C ATOM 937 CG LEU A 60 -1.337 3.008 -0.752 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.494 3.852 0.502 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.672 2.420 -1.167 1.00 0.00 C ATOM 0 H LEU A 60 -2.308 3.876 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.937 5.500 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.533 3.140 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.336 4.095 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.671 2.175 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.970 3.259 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.513 4.181 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.112 4.722 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.102 1.868 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.349 3.223 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.526 1.745 -2.011 1.00 0.00 H new ATOM 951 N VAL A 61 0.152 5.955 -4.109 1.00 0.00 N ATOM 952 CA VAL A 61 1.179 6.849 -4.667 1.00 0.00 C ATOM 953 C VAL A 61 0.547 8.205 -5.087 1.00 0.00 C ATOM 954 O VAL A 61 1.244 9.169 -5.444 1.00 0.00 O ATOM 955 CB VAL A 61 1.923 6.158 -5.872 1.00 0.00 C ATOM 956 CG1 VAL A 61 1.047 6.034 -7.100 1.00 0.00 C ATOM 957 CG2 VAL A 61 3.243 6.824 -6.215 1.00 0.00 C ATOM 0 H VAL A 61 -0.150 5.216 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 61 1.922 7.053 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 61 2.153 5.150 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.608 5.551 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.168 5.435 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.733 7.026 -7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.707 6.303 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.065 7.864 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.906 6.784 -5.351 1.00 0.00 H new ATOM 967 N ASN A 62 -0.774 8.263 -5.008 1.00 0.00 N ATOM 968 CA ASN A 62 -1.545 9.455 -5.345 1.00 0.00 C ATOM 969 C ASN A 62 -1.354 10.512 -4.273 1.00 0.00 C ATOM 970 O ASN A 62 -1.142 11.692 -4.574 1.00 0.00 O ATOM 971 CB ASN A 62 -3.044 9.100 -5.458 1.00 0.00 C ATOM 972 CG ASN A 62 -3.943 10.262 -5.840 1.00 0.00 C ATOM 973 OD1 ASN A 62 -4.406 11.018 -4.990 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.241 10.376 -7.101 1.00 0.00 N ATOM 0 H ASN A 62 -1.349 7.477 -4.705 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.195 9.843 -6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.161 8.309 -6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.381 8.696 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.877 11.111 -7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.838 9.731 -7.781 1.00 0.00 H new ATOM 981 N THR A 63 -1.390 10.083 -3.034 1.00 0.00 N ATOM 982 CA THR A 63 -1.302 10.990 -1.921 1.00 0.00 C ATOM 983 C THR A 63 -0.019 10.809 -1.121 1.00 0.00 C ATOM 984 O THR A 63 0.742 11.763 -0.906 1.00 0.00 O ATOM 985 CB THR A 63 -2.524 10.809 -0.988 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.725 9.403 -0.711 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.776 11.387 -1.624 1.00 0.00 C ATOM 0 H THR A 63 -1.481 9.101 -2.773 1.00 0.00 H new ATOM 0 HA THR A 63 -1.293 11.999 -2.334 1.00 0.00 H new ATOM 0 HB THR A 63 -2.329 11.341 -0.057 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.592 9.277 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.623 11.249 -0.951 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.631 12.451 -1.811 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.974 10.876 -2.566 1.00 0.00 H new ATOM 995 N SER A 64 0.240 9.597 -0.737 1.00 0.00 N ATOM 996 CA SER A 64 1.300 9.304 0.166 1.00 0.00 C ATOM 997 C SER A 64 2.669 9.345 -0.525 1.00 0.00 C ATOM 998 O SER A 64 2.807 8.966 -1.698 1.00 0.00 O ATOM 999 CB SER A 64 1.036 7.949 0.786 1.00 0.00 C ATOM 1000 OG SER A 64 -0.276 7.891 1.322 1.00 0.00 O ATOM 0 H SER A 64 -0.285 8.779 -1.047 1.00 0.00 H new ATOM 0 HA SER A 64 1.331 10.067 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.162 7.169 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.765 7.755 1.573 1.00 0.00 H new ATOM 0 HG SER A 64 -0.429 7.007 1.717 1.00 0.00 H new ATOM 1006 N SER A 65 3.645 9.849 0.183 1.00 0.00 N ATOM 1007 CA SER A 65 5.004 9.911 -0.281 1.00 0.00 C ATOM 1008 C SER A 65 5.618 8.508 -0.237 1.00 0.00 C ATOM 1009 O SER A 65 5.279 7.707 0.631 1.00 0.00 O ATOM 1010 CB SER A 65 5.768 10.885 0.608 1.00 0.00 C ATOM 1011 OG SER A 65 5.062 12.128 0.707 1.00 0.00 O ATOM 0 H SER A 65 3.514 10.236 1.118 1.00 0.00 H new ATOM 0 HA SER A 65 5.052 10.263 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.901 10.454 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.764 11.056 0.199 1.00 0.00 H new ATOM 0 HG SER A 65 5.563 12.744 1.282 1.00 0.00 H new ATOM 1017 N GLU A 66 6.511 8.235 -1.161 1.00 0.00 N ATOM 1018 CA GLU A 66 7.151 6.921 -1.346 1.00 0.00 C ATOM 1019 C GLU A 66 7.769 6.363 -0.046 1.00 0.00 C ATOM 1020 O GLU A 66 7.587 5.185 0.289 1.00 0.00 O ATOM 1021 CB GLU A 66 8.200 6.997 -2.495 1.00 0.00 C ATOM 1022 CG GLU A 66 9.456 7.836 -2.220 1.00 0.00 C ATOM 1023 CD GLU A 66 9.154 9.230 -1.724 1.00 0.00 C ATOM 1024 OE1 GLU A 66 8.528 9.999 -2.442 1.00 0.00 O ATOM 1025 OE2 GLU A 66 9.467 9.527 -0.549 1.00 0.00 O ATOM 0 H GLU A 66 6.832 8.932 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 66 6.371 6.214 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.514 5.982 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.708 7.399 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.072 7.322 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.045 7.904 -3.135 1.00 0.00 H new ATOM 1032 N ASN A 67 8.442 7.220 0.698 1.00 0.00 N ATOM 1033 CA ASN A 67 9.094 6.813 1.948 1.00 0.00 C ATOM 1034 C ASN A 67 8.054 6.518 3.016 1.00 0.00 C ATOM 1035 O ASN A 67 8.244 5.661 3.886 1.00 0.00 O ATOM 1036 CB ASN A 67 10.064 7.900 2.428 1.00 0.00 C ATOM 1037 CG ASN A 67 10.733 7.587 3.764 1.00 0.00 C ATOM 1038 OD1 ASN A 67 10.968 6.436 4.122 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.032 8.588 4.501 1.00 0.00 N ATOM 0 H ASN A 67 8.557 8.207 0.466 1.00 0.00 H new ATOM 0 HA ASN A 67 9.664 5.903 1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.836 8.044 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.523 8.842 2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.475 8.440 5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.827 9.535 4.182 1.00 0.00 H new ATOM 1046 N TRP A 68 6.951 7.188 2.921 1.00 0.00 N ATOM 1047 CA TRP A 68 5.893 7.021 3.859 1.00 0.00 C ATOM 1048 C TRP A 68 5.180 5.690 3.568 1.00 0.00 C ATOM 1049 O TRP A 68 4.973 4.869 4.471 1.00 0.00 O ATOM 1050 CB TRP A 68 4.923 8.209 3.748 1.00 0.00 C ATOM 1051 CG TRP A 68 3.951 8.308 4.870 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.084 9.065 5.994 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.701 7.633 4.990 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.993 8.891 6.797 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.139 8.020 6.212 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.006 6.735 4.187 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.923 7.545 6.655 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.797 6.265 4.628 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.272 6.671 5.855 1.00 0.00 C ATOM 0 H TRP A 68 6.760 7.869 2.186 1.00 0.00 H new ATOM 0 HA TRP A 68 6.282 6.994 4.877 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.501 9.132 3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.372 8.128 2.811 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.924 9.706 6.217 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.845 9.347 7.697 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.410 6.416 3.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.508 7.858 7.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.242 5.569 4.016 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.681 6.276 6.175 1.00 0.00 H new ATOM 1070 N ILE A 69 4.871 5.458 2.289 1.00 0.00 N ATOM 1071 CA ILE A 69 4.134 4.260 1.862 1.00 0.00 C ATOM 1072 C ILE A 69 4.900 2.988 2.171 1.00 0.00 C ATOM 1073 O ILE A 69 4.312 2.006 2.637 1.00 0.00 O ATOM 1074 CB ILE A 69 3.826 4.230 0.349 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.227 5.533 -0.115 1.00 0.00 C ATOM 1076 CG2 ILE A 69 2.826 3.110 0.085 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.062 5.624 -1.616 1.00 0.00 C ATOM 0 H ILE A 69 5.121 6.087 1.526 1.00 0.00 H new ATOM 0 HA ILE A 69 3.201 4.310 2.423 1.00 0.00 H new ATOM 0 HB ILE A 69 4.757 4.067 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.254 5.664 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.859 6.354 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.595 3.072 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.255 2.158 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.912 3.298 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.626 6.588 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.036 5.525 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.406 4.824 -1.959 1.00 0.00 H new ATOM 1089 N ARG A 70 6.217 3.012 1.927 1.00 0.00 N ATOM 1090 CA ARG A 70 7.062 1.825 2.106 1.00 0.00 C ATOM 1091 C ARG A 70 7.001 1.288 3.537 1.00 0.00 C ATOM 1092 O ARG A 70 7.196 0.111 3.761 1.00 0.00 O ATOM 1093 CB ARG A 70 8.519 2.076 1.659 1.00 0.00 C ATOM 1094 CG ARG A 70 9.309 3.069 2.500 1.00 0.00 C ATOM 1095 CD ARG A 70 10.694 3.285 1.912 1.00 0.00 C ATOM 1096 NE ARG A 70 11.523 4.201 2.698 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.834 4.414 2.482 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.473 3.751 1.531 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.497 5.295 3.217 1.00 0.00 N ATOM 0 H ARG A 70 6.719 3.839 1.606 1.00 0.00 H new ATOM 0 HA ARG A 70 6.654 1.053 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.049 1.124 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.507 2.431 0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.776 4.019 2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.395 2.700 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.202 2.324 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.594 3.676 0.899 1.00 0.00 H new ATOM 0 HE ARG A 70 11.077 4.712 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.972 3.074 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.467 3.918 1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.014 5.815 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.491 5.454 3.050 1.00 0.00 H new ATOM 1113 N ASN A 71 6.699 2.162 4.480 1.00 0.00 N ATOM 1114 CA ASN A 71 6.544 1.770 5.878 1.00 0.00 C ATOM 1115 C ASN A 71 5.085 1.403 6.135 1.00 0.00 C ATOM 1116 O ASN A 71 4.774 0.367 6.739 1.00 0.00 O ATOM 1117 CB ASN A 71 6.931 2.937 6.799 1.00 0.00 C ATOM 1118 CG ASN A 71 6.807 2.601 8.283 1.00 0.00 C ATOM 1119 OD1 ASN A 71 7.066 1.470 8.712 1.00 0.00 O ATOM 1120 ND2 ASN A 71 6.377 3.560 9.064 1.00 0.00 N ATOM 0 H ASN A 71 6.554 3.157 4.306 1.00 0.00 H new ATOM 0 HA ASN A 71 7.191 0.917 6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.958 3.234 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.297 3.795 6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.246 3.386 10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.173 4.481 8.676 1.00 0.00 H new ATOM 1127 N ALA A 72 4.200 2.246 5.621 1.00 0.00 N ATOM 1128 CA ALA A 72 2.762 2.135 5.812 1.00 0.00 C ATOM 1129 C ALA A 72 2.194 0.814 5.354 1.00 0.00 C ATOM 1130 O ALA A 72 1.447 0.162 6.096 1.00 0.00 O ATOM 1131 CB ALA A 72 2.065 3.246 5.091 1.00 0.00 C ATOM 0 H ALA A 72 4.469 3.045 5.046 1.00 0.00 H new ATOM 0 HA ALA A 72 2.590 2.201 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.989 3.157 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.406 4.204 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.292 3.187 4.026 1.00 0.00 H new ATOM 1137 N THR A 73 2.550 0.405 4.147 1.00 0.00 N ATOM 1138 CA THR A 73 2.010 -0.805 3.580 1.00 0.00 C ATOM 1139 C THR A 73 2.412 -2.022 4.416 1.00 0.00 C ATOM 1140 O THR A 73 1.625 -2.957 4.568 1.00 0.00 O ATOM 1141 CB THR A 73 2.397 -0.984 2.072 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.706 -2.108 1.510 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.904 -1.177 1.883 1.00 0.00 C ATOM 0 H THR A 73 3.211 0.898 3.547 1.00 0.00 H new ATOM 0 HA THR A 73 0.924 -0.719 3.608 1.00 0.00 H new ATOM 0 HB THR A 73 2.103 -0.069 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.956 -2.208 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.125 -1.297 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.434 -0.305 2.268 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.228 -2.066 2.424 1.00 0.00 H new ATOM 1151 N VAL A 74 3.598 -1.958 5.016 1.00 0.00 N ATOM 1152 CA VAL A 74 4.107 -3.031 5.835 1.00 0.00 C ATOM 1153 C VAL A 74 3.236 -3.201 7.069 1.00 0.00 C ATOM 1154 O VAL A 74 2.799 -4.293 7.370 1.00 0.00 O ATOM 1155 CB VAL A 74 5.585 -2.780 6.248 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.076 -3.838 7.215 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.478 -2.756 5.021 1.00 0.00 C ATOM 0 H VAL A 74 4.225 -1.157 4.942 1.00 0.00 H new ATOM 0 HA VAL A 74 4.079 -3.948 5.246 1.00 0.00 H new ATOM 0 HB VAL A 74 5.629 -1.812 6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.112 -3.633 7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.459 -3.824 8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.010 -4.819 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.510 -2.579 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.411 -3.713 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.155 -1.958 4.352 1.00 0.00 H new ATOM 1167 N ASN A 75 2.930 -2.096 7.723 1.00 0.00 N ATOM 1168 CA ASN A 75 2.119 -2.111 8.949 1.00 0.00 C ATOM 1169 C ASN A 75 0.723 -2.682 8.679 1.00 0.00 C ATOM 1170 O ASN A 75 0.172 -3.411 9.495 1.00 0.00 O ATOM 1171 CB ASN A 75 2.018 -0.704 9.540 1.00 0.00 C ATOM 1172 CG ASN A 75 1.344 -0.680 10.907 1.00 0.00 C ATOM 1173 OD1 ASN A 75 2.001 -0.846 11.937 1.00 0.00 O ATOM 1174 ND2 ASN A 75 0.055 -0.439 10.928 1.00 0.00 N ATOM 0 H ASN A 75 3.228 -1.165 7.431 1.00 0.00 H new ATOM 0 HA ASN A 75 2.613 -2.758 9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.018 -0.279 9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.459 -0.067 8.854 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.439 -0.383 11.819 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.454 -0.307 10.054 1.00 0.00 H new ATOM 1181 N ILE A 76 0.169 -2.373 7.519 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.142 -2.920 7.141 1.00 0.00 C ATOM 1183 C ILE A 76 -1.019 -4.452 6.941 1.00 0.00 C ATOM 1184 O ILE A 76 -1.891 -5.214 7.357 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.713 -2.277 5.842 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.717 -0.729 5.918 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.138 -2.776 5.614 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.746 -0.123 6.863 1.00 0.00 C ATOM 0 H ILE A 76 0.592 -1.756 6.825 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.835 -2.687 7.950 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.069 -2.570 5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.726 -0.395 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.891 -0.334 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.540 -2.327 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.131 -3.861 5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.762 -2.496 6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.664 0.964 6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.747 -0.418 6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.564 -0.480 7.877 1.00 0.00 H new ATOM 1200 N LEU A 77 0.081 -4.888 6.315 1.00 0.00 N ATOM 1201 CA LEU A 77 0.368 -6.322 6.147 1.00 0.00 C ATOM 1202 C LEU A 77 0.515 -7.005 7.504 1.00 0.00 C ATOM 1203 O LEU A 77 -0.011 -8.108 7.713 1.00 0.00 O ATOM 1204 CB LEU A 77 1.619 -6.550 5.289 1.00 0.00 C ATOM 1205 CG LEU A 77 1.440 -6.470 3.772 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.489 -5.568 3.148 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.591 -7.844 3.178 1.00 0.00 C ATOM 0 H LEU A 77 0.788 -4.270 5.916 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.478 -6.768 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.370 -5.816 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.023 -7.533 5.532 1.00 0.00 H new ATOM 0 HG LEU A 77 0.449 -6.065 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.339 -5.528 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.400 -4.564 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.482 -5.963 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.464 -7.789 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.583 -8.232 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.836 -8.507 3.599 1.00 0.00 H new ATOM 1219 N GLU A 78 1.205 -6.331 8.420 1.00 0.00 N ATOM 1220 CA GLU A 78 1.367 -6.786 9.804 1.00 0.00 C ATOM 1221 C GLU A 78 -0.006 -6.995 10.443 1.00 0.00 C ATOM 1222 O GLU A 78 -0.274 -8.035 11.063 1.00 0.00 O ATOM 1223 CB GLU A 78 2.170 -5.747 10.609 1.00 0.00 C ATOM 1224 CG GLU A 78 3.581 -5.498 10.091 1.00 0.00 C ATOM 1225 CD GLU A 78 4.491 -6.695 10.209 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.294 -7.689 9.510 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.444 -6.649 11.016 1.00 0.00 O ATOM 0 H GLU A 78 1.673 -5.446 8.224 1.00 0.00 H new ATOM 0 HA GLU A 78 1.910 -7.731 9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.624 -4.804 10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.230 -6.078 11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.526 -5.196 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.018 -4.665 10.641 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.887 -6.025 10.226 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.258 -6.057 10.723 1.00 0.00 C ATOM 1236 C GLU A 79 -3.088 -7.195 10.115 1.00 0.00 C ATOM 1237 O GLU A 79 -4.084 -7.623 10.702 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.945 -4.719 10.478 1.00 0.00 C ATOM 1239 CG GLU A 79 -2.469 -3.601 11.384 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.689 -3.918 12.843 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -3.842 -3.834 13.319 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -1.718 -4.286 13.536 1.00 0.00 O ATOM 0 H GLU A 79 -0.667 -5.184 9.693 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.196 -6.246 11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.783 -4.425 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.020 -4.846 10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.408 -3.420 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.995 -2.681 11.130 1.00 0.00 H new ATOM 1249 N MET A 80 -2.682 -7.678 8.957 1.00 0.00 N ATOM 1250 CA MET A 80 -3.388 -8.763 8.288 1.00 0.00 C ATOM 1251 C MET A 80 -2.716 -10.103 8.563 1.00 0.00 C ATOM 1252 O MET A 80 -3.051 -11.124 7.944 1.00 0.00 O ATOM 1253 CB MET A 80 -3.510 -8.502 6.776 1.00 0.00 C ATOM 1254 CG MET A 80 -4.430 -7.333 6.434 1.00 0.00 C ATOM 1255 SD MET A 80 -4.595 -7.029 4.656 1.00 0.00 S ATOM 1256 CE MET A 80 -2.922 -6.569 4.229 1.00 0.00 C ATOM 0 H MET A 80 -1.863 -7.337 8.454 1.00 0.00 H new ATOM 0 HA MET A 80 -4.398 -8.805 8.697 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.519 -8.306 6.368 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.883 -9.403 6.288 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.418 -7.525 6.854 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.050 -6.431 6.914 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.900 -6.182 3.210 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.569 -5.800 4.917 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.275 -7.443 4.299 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.745 -10.079 9.499 1.00 0.00 N ATOM 1267 CA ASN A 81 -1.008 -11.278 9.958 1.00 0.00 C ATOM 1268 C ASN A 81 -0.227 -11.908 8.793 1.00 0.00 C ATOM 1269 O ASN A 81 0.097 -13.093 8.770 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.990 -12.270 10.667 1.00 0.00 C ATOM 1271 CG ASN A 81 -1.340 -13.518 11.260 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.743 -13.482 12.332 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -1.560 -14.635 10.643 1.00 0.00 N ATOM 0 H ASN A 81 -1.447 -9.221 9.962 1.00 0.00 H new ATOM 0 HA ASN A 81 -0.262 -10.996 10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.507 -11.736 11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.748 -12.582 9.948 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.235 -15.513 11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.059 -14.637 9.753 1.00 0.00 H new ATOM 1280 N LEU A 82 0.126 -11.077 7.853 1.00 0.00 N ATOM 1281 CA LEU A 82 0.853 -11.509 6.705 1.00 0.00 C ATOM 1282 C LEU A 82 2.329 -11.437 6.981 1.00 0.00 C ATOM 1283 O LEU A 82 2.837 -10.394 7.358 1.00 0.00 O ATOM 1284 CB LEU A 82 0.481 -10.660 5.487 1.00 0.00 C ATOM 1285 CG LEU A 82 -0.959 -10.811 4.987 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.242 -9.865 3.845 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.200 -12.225 4.538 1.00 0.00 C ATOM 0 H LEU A 82 -0.086 -10.079 7.866 1.00 0.00 H new ATOM 0 HA LEU A 82 0.591 -12.544 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.653 -9.612 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.158 -10.912 4.671 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.629 -10.567 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.271 -9.995 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.096 -8.838 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.563 -10.078 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.226 -12.324 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.512 -12.472 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.037 -12.905 5.374 1.00 0.00 H new ATOM 1299 N THR A 83 2.995 -12.541 6.856 1.00 0.00 N ATOM 1300 CA THR A 83 4.410 -12.588 7.058 1.00 0.00 C ATOM 1301 C THR A 83 5.141 -12.576 5.736 1.00 0.00 C ATOM 1302 O THR A 83 5.674 -11.569 5.359 1.00 0.00 O ATOM 1303 CB THR A 83 4.814 -13.825 7.870 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.036 -14.957 7.428 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.639 -13.599 9.361 1.00 0.00 C ATOM 0 H THR A 83 2.573 -13.437 6.611 1.00 0.00 H new ATOM 0 HA THR A 83 4.691 -11.699 7.623 1.00 0.00 H new ATOM 0 HB THR A 83 5.873 -14.022 7.701 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.292 -15.751 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.935 -14.497 9.902 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.262 -12.762 9.678 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.594 -13.375 9.575 1.00 0.00 H new ATOM 1313 N GLU A 84 5.070 -13.686 5.021 1.00 0.00 N ATOM 1314 CA GLU A 84 5.789 -13.937 3.750 1.00 0.00 C ATOM 1315 C GLU A 84 5.944 -12.704 2.828 1.00 0.00 C ATOM 1316 O GLU A 84 7.059 -12.231 2.597 1.00 0.00 O ATOM 1317 CB GLU A 84 5.124 -15.102 3.019 1.00 0.00 C ATOM 1318 CG GLU A 84 3.606 -14.979 2.870 1.00 0.00 C ATOM 1319 CD GLU A 84 3.006 -16.209 2.268 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.703 -17.150 3.009 1.00 0.00 O ATOM 1321 OE2 GLU A 84 2.852 -16.271 1.042 1.00 0.00 O ATOM 0 H GLU A 84 4.492 -14.477 5.307 1.00 0.00 H new ATOM 0 HA GLU A 84 6.814 -14.191 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.567 -15.191 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.350 -16.025 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.158 -14.797 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.371 -14.117 2.246 1.00 0.00 H new ATOM 1328 N LEU A 85 4.843 -12.168 2.361 1.00 0.00 N ATOM 1329 CA LEU A 85 4.885 -11.033 1.458 1.00 0.00 C ATOM 1330 C LEU A 85 5.224 -9.736 2.189 1.00 0.00 C ATOM 1331 O LEU A 85 5.811 -8.838 1.625 1.00 0.00 O ATOM 1332 CB LEU A 85 3.613 -10.896 0.576 1.00 0.00 C ATOM 1333 CG LEU A 85 2.246 -10.650 1.253 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.213 -10.292 0.203 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.759 -11.870 2.022 1.00 0.00 C ATOM 0 H LEU A 85 3.904 -12.496 2.588 1.00 0.00 H new ATOM 0 HA LEU A 85 5.700 -11.235 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.785 -10.077 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.526 -11.807 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 85 2.378 -9.831 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.250 -10.119 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.525 -9.388 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.120 -11.111 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.795 -11.650 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.652 -12.712 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.481 -12.123 2.798 1.00 0.00 H new ATOM 1347 N CYS A 86 4.921 -9.674 3.450 1.00 0.00 N ATOM 1348 CA CYS A 86 5.246 -8.508 4.246 1.00 0.00 C ATOM 1349 C CYS A 86 6.764 -8.449 4.425 1.00 0.00 C ATOM 1350 O CYS A 86 7.370 -7.395 4.350 1.00 0.00 O ATOM 1351 CB CYS A 86 4.585 -8.621 5.585 1.00 0.00 C ATOM 1352 SG CYS A 86 4.824 -7.207 6.674 1.00 0.00 S ATOM 0 H CYS A 86 4.446 -10.418 3.961 1.00 0.00 H new ATOM 0 HA CYS A 86 4.895 -7.603 3.750 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.515 -8.768 5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.962 -9.513 6.085 1.00 0.00 H new ATOM 0 HG CYS A 86 4.912 -7.617 7.905 1.00 0.00 H new ATOM 1358 N LYS A 87 7.359 -9.613 4.615 1.00 0.00 N ATOM 1359 CA LYS A 87 8.800 -9.773 4.738 1.00 0.00 C ATOM 1360 C LYS A 87 9.462 -9.384 3.434 1.00 0.00 C ATOM 1361 O LYS A 87 10.556 -8.840 3.418 1.00 0.00 O ATOM 1362 CB LYS A 87 9.122 -11.222 5.084 1.00 0.00 C ATOM 1363 CG LYS A 87 8.537 -11.671 6.415 1.00 0.00 C ATOM 1364 CD LYS A 87 8.638 -13.175 6.609 1.00 0.00 C ATOM 1365 CE LYS A 87 10.065 -13.638 6.650 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.168 -15.096 6.818 1.00 0.00 N ATOM 0 H LYS A 87 6.846 -10.491 4.690 1.00 0.00 H new ATOM 0 HA LYS A 87 9.177 -9.129 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.744 -11.869 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.204 -11.350 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.059 -11.166 7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.491 -11.369 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.138 -13.456 7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.115 -13.682 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.568 -13.343 5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.584 -13.141 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.170 -15.373 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.711 -15.376 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.696 -15.571 6.023 1.00 0.00 H new ATOM 1380 N MET A 88 8.748 -9.625 2.340 1.00 0.00 N ATOM 1381 CA MET A 88 9.192 -9.254 1.027 1.00 0.00 C ATOM 1382 C MET A 88 9.199 -7.740 0.942 1.00 0.00 C ATOM 1383 O MET A 88 10.105 -7.151 0.425 1.00 0.00 O ATOM 1384 CB MET A 88 8.242 -9.822 -0.021 1.00 0.00 C ATOM 1385 CG MET A 88 8.682 -9.592 -1.451 1.00 0.00 C ATOM 1386 SD MET A 88 10.181 -10.502 -1.888 1.00 0.00 S ATOM 1387 CE MET A 88 9.591 -12.193 -1.762 1.00 0.00 C ATOM 0 H MET A 88 7.839 -10.088 2.353 1.00 0.00 H new ATOM 0 HA MET A 88 10.191 -9.649 0.842 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.135 -10.894 0.146 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.257 -9.377 0.120 1.00 0.00 H new ATOM 0 HG2 MET A 88 7.877 -9.886 -2.124 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.853 -8.527 -1.605 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.262 -12.854 -2.311 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.564 -12.492 -0.714 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.589 -12.261 -2.185 1.00 0.00 H new ATOM 1397 N ALA A 89 8.183 -7.120 1.503 1.00 0.00 N ATOM 1398 CA ALA A 89 8.085 -5.661 1.546 1.00 0.00 C ATOM 1399 C ALA A 89 9.176 -5.076 2.444 1.00 0.00 C ATOM 1400 O ALA A 89 9.733 -4.019 2.156 1.00 0.00 O ATOM 1401 CB ALA A 89 6.722 -5.231 2.038 1.00 0.00 C ATOM 0 H ALA A 89 7.400 -7.603 1.943 1.00 0.00 H new ATOM 0 HA ALA A 89 8.224 -5.282 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.671 -4.142 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.955 -5.616 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.556 -5.624 3.041 1.00 0.00 H new ATOM 1407 N LYS A 90 9.491 -5.797 3.508 1.00 0.00 N ATOM 1408 CA LYS A 90 10.560 -5.430 4.444 1.00 0.00 C ATOM 1409 C LYS A 90 11.934 -5.665 3.815 1.00 0.00 C ATOM 1410 O LYS A 90 12.975 -5.400 4.435 1.00 0.00 O ATOM 1411 CB LYS A 90 10.441 -6.237 5.743 1.00 0.00 C ATOM 1412 CG LYS A 90 9.166 -5.980 6.525 1.00 0.00 C ATOM 1413 CD LYS A 90 9.059 -6.896 7.737 1.00 0.00 C ATOM 1414 CE LYS A 90 7.791 -6.609 8.523 1.00 0.00 C ATOM 1415 NZ LYS A 90 7.636 -7.487 9.699 1.00 0.00 N ATOM 0 H LYS A 90 9.012 -6.663 3.755 1.00 0.00 H new ATOM 0 HA LYS A 90 10.455 -4.370 4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.498 -7.299 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.296 -6.007 6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.141 -4.940 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.303 -6.131 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.063 -7.937 7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.929 -6.759 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.799 -5.569 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.928 -6.730 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.054 -7.008 10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.172 -8.373 9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.572 -7.700 10.099 1.00 0.00 H new ATOM 1429 N ALA A 91 11.931 -6.183 2.618 1.00 0.00 N ATOM 1430 CA ALA A 91 13.130 -6.398 1.875 1.00 0.00 C ATOM 1431 C ALA A 91 13.173 -5.510 0.644 1.00 0.00 C ATOM 1432 O ALA A 91 14.159 -4.836 0.386 1.00 0.00 O ATOM 1433 CB ALA A 91 13.280 -7.875 1.513 1.00 0.00 C ATOM 0 H ALA A 91 11.082 -6.469 2.130 1.00 0.00 H new ATOM 0 HA ALA A 91 13.979 -6.123 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.200 -8.019 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.318 -8.471 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.429 -8.190 0.909 1.00 0.00 H new ATOM 1439 N GLU A 92 12.095 -5.497 -0.077 1.00 0.00 N ATOM 1440 CA GLU A 92 11.983 -4.789 -1.334 1.00 0.00 C ATOM 1441 C GLU A 92 11.538 -3.330 -1.189 1.00 0.00 C ATOM 1442 O GLU A 92 12.073 -2.453 -1.858 1.00 0.00 O ATOM 1443 CB GLU A 92 11.017 -5.516 -2.244 1.00 0.00 C ATOM 1444 CG GLU A 92 11.420 -6.928 -2.592 1.00 0.00 C ATOM 1445 CD GLU A 92 10.823 -7.434 -3.885 1.00 0.00 C ATOM 1446 OE1 GLU A 92 9.580 -7.532 -3.999 1.00 0.00 O ATOM 1447 OE2 GLU A 92 11.609 -7.793 -4.796 1.00 0.00 O ATOM 0 H GLU A 92 11.242 -5.988 0.191 1.00 0.00 H new ATOM 0 HA GLU A 92 12.986 -4.768 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.037 -5.539 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.909 -4.946 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.507 -6.979 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.120 -7.591 -1.781 1.00 0.00 H new ATOM 1454 N MET A 93 10.552 -3.066 -0.348 1.00 0.00 N ATOM 1455 CA MET A 93 10.035 -1.700 -0.222 1.00 0.00 C ATOM 1456 C MET A 93 10.847 -0.859 0.702 1.00 0.00 C ATOM 1457 O MET A 93 11.292 0.233 0.344 1.00 0.00 O ATOM 1458 CB MET A 93 8.528 -1.629 0.092 1.00 0.00 C ATOM 1459 CG MET A 93 7.638 -1.580 -1.130 1.00 0.00 C ATOM 1460 SD MET A 93 7.530 0.050 -1.942 1.00 0.00 S ATOM 1461 CE MET A 93 9.204 0.375 -2.522 1.00 0.00 C ATOM 0 H MET A 93 10.097 -3.757 0.248 1.00 0.00 H new ATOM 0 HA MET A 93 10.143 -1.267 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.253 -2.496 0.693 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.337 -0.746 0.701 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.003 -2.307 -1.856 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.634 -1.893 -0.842 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.178 1.142 -3.296 1.00 0.00 H new ATOM 0 HE2 MET A 93 9.817 0.720 -1.689 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.631 -0.540 -2.933 1.00 0.00 H new