USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 462 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 30 TYR OH : rot -33:sc= 0.541 USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0.559 USER MOD Single : A 5 SER OG : rot 180:sc= -0.444 USER MOD Single : A 11 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 21 TYR OH : rot 129:sc= -0.984 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.906) USER MOD Single : A 33 TYR OH : rot 141:sc= -5.19! USER MOD Single : A 35 SER OG : rot 160:sc= 0.0515 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -6.75! C(o=-9.6!,f=-6.7!) USER MOD Single : A 48 THR OG1 : rot 91:sc= 0.174 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.237) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= -0.036 (180deg=-0.088) USER MOD Single : A 56 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.6!) USER MOD Single : A 57 TYR OH : rot 165:sc= -0.561 USER MOD ----------------------------------------------------------------- ATOM 40 N ILE A 4 11.890 0.851 3.854 1.00 0.00 N ATOM 41 CA ILE A 4 10.780 -0.136 3.989 1.00 0.00 C ATOM 42 C ILE A 4 10.943 -1.281 2.978 1.00 0.00 C ATOM 43 O ILE A 4 11.983 -1.441 2.369 1.00 0.00 O ATOM 44 CB ILE A 4 9.491 0.650 3.711 1.00 0.00 C ATOM 45 CG1 ILE A 4 9.637 1.479 2.421 1.00 0.00 C ATOM 46 CG2 ILE A 4 9.186 1.581 4.892 1.00 0.00 C ATOM 47 CD1 ILE A 4 9.623 0.552 1.198 1.00 0.00 C ATOM 0 HA ILE A 4 10.769 -0.592 4.979 1.00 0.00 H new ATOM 0 HB ILE A 4 8.670 -0.056 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.824 2.202 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.567 2.047 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.270 2.137 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.059 0.989 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.012 2.279 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.727 1.146 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.451 -0.153 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.681 0.004 1.168 1.00 0.00 H new ATOM 59 N SER A 5 9.918 -2.078 2.805 1.00 0.00 N ATOM 60 CA SER A 5 9.988 -3.224 1.841 1.00 0.00 C ATOM 61 C SER A 5 8.697 -4.040 1.920 1.00 0.00 C ATOM 62 O SER A 5 7.832 -3.771 2.725 1.00 0.00 O ATOM 63 CB SER A 5 11.187 -4.065 2.296 1.00 0.00 C ATOM 64 OG SER A 5 10.982 -5.425 1.931 1.00 0.00 O ATOM 0 H SER A 5 9.028 -1.984 3.294 1.00 0.00 H new ATOM 0 HA SER A 5 10.102 -2.893 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.102 -3.689 1.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.313 -3.983 3.376 1.00 0.00 H new ATOM 0 HG SER A 5 11.750 -5.961 2.221 1.00 0.00 H new ATOM 70 N LEU A 6 8.566 -5.036 1.088 1.00 0.00 N ATOM 71 CA LEU A 6 7.319 -5.865 1.096 1.00 0.00 C ATOM 72 C LEU A 6 7.280 -6.780 2.327 1.00 0.00 C ATOM 73 O LEU A 6 6.277 -7.409 2.606 1.00 0.00 O ATOM 74 CB LEU A 6 7.400 -6.694 -0.191 1.00 0.00 C ATOM 75 CG LEU A 6 6.543 -6.055 -1.296 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.072 -6.420 -1.090 1.00 0.00 C ATOM 77 CD2 LEU A 6 6.699 -4.532 -1.274 1.00 0.00 C ATOM 0 H LEU A 6 9.267 -5.315 0.401 1.00 0.00 H new ATOM 0 HA LEU A 6 6.418 -5.254 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.436 -6.764 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.057 -7.711 0.002 1.00 0.00 H new ATOM 0 HG LEU A 6 6.879 -6.434 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.470 -5.964 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.957 -7.503 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.739 -6.053 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.087 -4.092 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.377 -4.147 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.744 -4.271 -1.439 1.00 0.00 H new ATOM 89 N ASP A 7 8.346 -6.835 3.077 1.00 0.00 N ATOM 90 CA ASP A 7 8.358 -7.683 4.308 1.00 0.00 C ATOM 91 C ASP A 7 8.510 -6.791 5.545 1.00 0.00 C ATOM 92 O ASP A 7 8.609 -7.267 6.659 1.00 0.00 O ATOM 93 CB ASP A 7 9.571 -8.599 4.148 1.00 0.00 C ATOM 94 CG ASP A 7 9.342 -9.891 4.935 1.00 0.00 C ATOM 95 OD1 ASP A 7 8.558 -10.707 4.479 1.00 0.00 O ATOM 96 OD2 ASP A 7 9.952 -10.041 5.980 1.00 0.00 O ATOM 0 H ASP A 7 9.212 -6.329 2.892 1.00 0.00 H new ATOM 0 HA ASP A 7 7.438 -8.255 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.732 -8.826 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.469 -8.097 4.507 1.00 0.00 H new ATOM 101 N GLU A 8 8.519 -5.497 5.351 1.00 0.00 N ATOM 102 CA GLU A 8 8.653 -4.561 6.502 1.00 0.00 C ATOM 103 C GLU A 8 7.646 -3.414 6.362 1.00 0.00 C ATOM 104 O GLU A 8 7.776 -2.385 6.995 1.00 0.00 O ATOM 105 CB GLU A 8 10.087 -4.033 6.409 1.00 0.00 C ATOM 106 CG GLU A 8 10.522 -3.475 7.766 1.00 0.00 C ATOM 107 CD GLU A 8 12.000 -3.799 8.003 1.00 0.00 C ATOM 108 OE1 GLU A 8 12.760 -3.725 7.052 1.00 0.00 O ATOM 109 OE2 GLU A 8 12.344 -4.115 9.129 1.00 0.00 O ATOM 0 H GLU A 8 8.439 -5.048 4.438 1.00 0.00 H new ATOM 0 HA GLU A 8 8.456 -5.043 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.760 -4.834 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.149 -3.255 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.366 -2.397 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.913 -3.906 8.560 1.00 0.00 H new ATOM 116 N PHE A 9 6.641 -3.580 5.534 1.00 0.00 N ATOM 117 CA PHE A 9 5.633 -2.491 5.358 1.00 0.00 C ATOM 118 C PHE A 9 4.551 -2.574 6.436 1.00 0.00 C ATOM 119 O PHE A 9 3.611 -1.803 6.439 1.00 0.00 O ATOM 120 CB PHE A 9 5.011 -2.716 3.978 1.00 0.00 C ATOM 121 CG PHE A 9 5.638 -1.778 2.976 1.00 0.00 C ATOM 122 CD1 PHE A 9 5.808 -0.427 3.290 1.00 0.00 C ATOM 123 CD2 PHE A 9 6.052 -2.259 1.732 1.00 0.00 C ATOM 124 CE1 PHE A 9 6.388 0.437 2.366 1.00 0.00 C ATOM 125 CE2 PHE A 9 6.632 -1.392 0.805 1.00 0.00 C ATOM 126 CZ PHE A 9 6.800 -0.045 1.122 1.00 0.00 C ATOM 0 H PHE A 9 6.478 -4.418 4.976 1.00 0.00 H new ATOM 0 HA PHE A 9 6.097 -1.508 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.161 -3.750 3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.935 -2.549 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.489 -0.053 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.923 -3.303 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.519 1.481 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.951 -1.764 -0.157 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.249 0.626 0.405 1.00 0.00 H new ATOM 136 N GLU A 10 4.675 -3.491 7.355 1.00 0.00 N ATOM 137 CA GLU A 10 3.649 -3.603 8.432 1.00 0.00 C ATOM 138 C GLU A 10 4.037 -2.706 9.610 1.00 0.00 C ATOM 139 O GLU A 10 3.416 -2.732 10.654 1.00 0.00 O ATOM 140 CB GLU A 10 3.643 -5.082 8.845 1.00 0.00 C ATOM 141 CG GLU A 10 5.066 -5.551 9.175 1.00 0.00 C ATOM 142 CD GLU A 10 5.069 -6.261 10.531 1.00 0.00 C ATOM 143 OE1 GLU A 10 4.125 -6.986 10.799 1.00 0.00 O ATOM 144 OE2 GLU A 10 6.013 -6.067 11.279 1.00 0.00 O ATOM 0 H GLU A 10 5.438 -4.165 7.408 1.00 0.00 H new ATOM 0 HA GLU A 10 2.661 -3.285 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.997 -5.221 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.231 -5.689 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.427 -6.226 8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.745 -4.699 9.198 1.00 0.00 H new ATOM 151 N ASN A 11 5.054 -1.900 9.439 1.00 0.00 N ATOM 152 CA ASN A 11 5.479 -0.988 10.535 1.00 0.00 C ATOM 153 C ASN A 11 4.739 0.347 10.419 1.00 0.00 C ATOM 154 O ASN A 11 4.361 0.940 11.411 1.00 0.00 O ATOM 155 CB ASN A 11 6.979 -0.784 10.328 1.00 0.00 C ATOM 156 CG ASN A 11 7.703 -2.128 10.430 1.00 0.00 C ATOM 157 OD1 ASN A 11 8.562 -2.430 9.625 1.00 0.00 O ATOM 158 ND2 ASN A 11 7.396 -2.951 11.394 1.00 0.00 N ATOM 0 H ASN A 11 5.607 -1.837 8.584 1.00 0.00 H new ATOM 0 HA ASN A 11 5.258 -1.396 11.521 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.163 -0.334 9.352 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.368 -0.093 11.076 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.877 -3.847 11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.675 -2.698 12.070 1.00 0.00 H new ATOM 165 N LYS A 12 4.534 0.833 9.218 1.00 0.00 N ATOM 166 CA LYS A 12 3.829 2.133 9.062 1.00 0.00 C ATOM 167 C LYS A 12 2.347 1.924 8.749 1.00 0.00 C ATOM 168 O LYS A 12 1.968 1.008 8.043 1.00 0.00 O ATOM 169 CB LYS A 12 4.495 2.833 7.880 1.00 0.00 C ATOM 170 CG LYS A 12 5.848 3.458 8.268 1.00 0.00 C ATOM 171 CD LYS A 12 5.798 4.101 9.660 1.00 0.00 C ATOM 172 CE LYS A 12 6.461 3.172 10.682 1.00 0.00 C ATOM 173 NZ LYS A 12 7.245 4.072 11.573 1.00 0.00 N ATOM 0 H LYS A 12 4.824 0.386 8.348 1.00 0.00 H new ATOM 0 HA LYS A 12 3.891 2.714 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.645 2.117 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.833 3.610 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.622 2.691 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.127 4.210 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.308 5.064 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.764 4.293 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.716 2.610 11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.106 2.443 10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.728 3.506 12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.951 4.588 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.604 4.751 12.032 1.00 0.00 H new ATOM 187 N THR A 13 1.518 2.791 9.253 1.00 0.00 N ATOM 188 CA THR A 13 0.051 2.690 8.979 1.00 0.00 C ATOM 189 C THR A 13 -0.274 3.308 7.612 1.00 0.00 C ATOM 190 O THR A 13 -1.099 4.194 7.497 1.00 0.00 O ATOM 191 CB THR A 13 -0.642 3.463 10.109 1.00 0.00 C ATOM 192 OG1 THR A 13 0.323 4.181 10.867 1.00 0.00 O ATOM 193 CG2 THR A 13 -1.381 2.478 11.021 1.00 0.00 C ATOM 0 H THR A 13 1.791 3.573 9.848 1.00 0.00 H new ATOM 0 HA THR A 13 -0.287 1.654 8.948 1.00 0.00 H new ATOM 0 HB THR A 13 -1.354 4.168 9.679 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.126 4.674 11.586 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.874 3.026 11.824 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.127 1.935 10.441 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.668 1.772 11.447 1.00 0.00 H new ATOM 201 N LEU A 14 0.371 2.837 6.578 1.00 0.00 N ATOM 202 CA LEU A 14 0.126 3.368 5.201 1.00 0.00 C ATOM 203 C LEU A 14 0.577 4.828 5.073 1.00 0.00 C ATOM 204 O LEU A 14 1.647 5.101 4.579 1.00 0.00 O ATOM 205 CB LEU A 14 -1.387 3.258 4.951 1.00 0.00 C ATOM 206 CG LEU A 14 -1.675 2.285 3.801 1.00 0.00 C ATOM 207 CD1 LEU A 14 -0.757 2.570 2.609 1.00 0.00 C ATOM 208 CD2 LEU A 14 -1.447 0.855 4.281 1.00 0.00 C ATOM 0 H LEU A 14 1.069 2.095 6.628 1.00 0.00 H new ATOM 0 HA LEU A 14 0.697 2.797 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.887 2.916 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.794 4.241 4.714 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.710 2.414 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.978 1.869 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.922 3.589 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.283 2.456 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.651 0.161 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.413 0.741 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.114 0.641 5.116 1.00 0.00 H new ATOM 220 N ASP A 15 -0.243 5.762 5.492 1.00 0.00 N ATOM 221 CA ASP A 15 0.105 7.222 5.359 1.00 0.00 C ATOM 222 C ASP A 15 1.361 7.614 6.151 1.00 0.00 C ATOM 223 O ASP A 15 1.392 8.637 6.807 1.00 0.00 O ATOM 224 CB ASP A 15 -1.112 7.967 5.906 1.00 0.00 C ATOM 225 CG ASP A 15 -2.259 7.895 4.893 1.00 0.00 C ATOM 226 OD1 ASP A 15 -2.257 6.977 4.088 1.00 0.00 O ATOM 227 OD2 ASP A 15 -3.119 8.759 4.942 1.00 0.00 O ATOM 0 H ASP A 15 -1.148 5.578 5.925 1.00 0.00 H new ATOM 0 HA ASP A 15 0.331 7.466 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.423 7.528 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.855 9.007 6.105 1.00 0.00 H new ATOM 232 N GLU A 16 2.396 6.835 6.068 1.00 0.00 N ATOM 233 CA GLU A 16 3.660 7.173 6.777 1.00 0.00 C ATOM 234 C GLU A 16 4.737 7.462 5.732 1.00 0.00 C ATOM 235 O GLU A 16 5.642 8.242 5.949 1.00 0.00 O ATOM 236 CB GLU A 16 4.001 5.920 7.573 1.00 0.00 C ATOM 237 CG GLU A 16 3.297 5.938 8.941 1.00 0.00 C ATOM 238 CD GLU A 16 1.898 6.555 8.831 1.00 0.00 C ATOM 239 OE1 GLU A 16 0.997 5.860 8.392 1.00 0.00 O ATOM 240 OE2 GLU A 16 1.754 7.712 9.191 1.00 0.00 O ATOM 0 H GLU A 16 2.423 5.967 5.533 1.00 0.00 H new ATOM 0 HA GLU A 16 3.580 8.046 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.699 5.034 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.080 5.855 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.221 4.922 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.894 6.507 9.654 1.00 0.00 H new ATOM 247 N ILE A 17 4.628 6.826 4.589 1.00 0.00 N ATOM 248 CA ILE A 17 5.626 7.038 3.503 1.00 0.00 C ATOM 249 C ILE A 17 4.913 7.133 2.140 1.00 0.00 C ATOM 250 O ILE A 17 5.529 6.975 1.115 1.00 0.00 O ATOM 251 CB ILE A 17 6.548 5.794 3.504 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.402 4.947 4.789 1.00 0.00 C ATOM 253 CG2 ILE A 17 8.001 6.248 3.372 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.689 3.625 4.459 1.00 0.00 C ATOM 0 H ILE A 17 3.884 6.166 4.365 1.00 0.00 H new ATOM 0 HA ILE A 17 6.186 7.959 3.664 1.00 0.00 H new ATOM 0 HB ILE A 17 6.253 5.168 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.384 4.745 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.836 5.500 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.656 5.377 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.127 6.797 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.258 6.895 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.587 3.030 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.700 3.837 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.273 3.070 3.725 1.00 0.00 H new ATOM 266 N ILE A 18 3.624 7.372 2.123 1.00 0.00 N ATOM 267 CA ILE A 18 2.871 7.426 0.815 1.00 0.00 C ATOM 268 C ILE A 18 3.120 8.748 0.076 1.00 0.00 C ATOM 269 O ILE A 18 3.789 9.640 0.563 1.00 0.00 O ATOM 270 CB ILE A 18 1.371 7.283 1.182 1.00 0.00 C ATOM 271 CG1 ILE A 18 1.193 6.278 2.320 1.00 0.00 C ATOM 272 CG2 ILE A 18 0.566 6.767 -0.021 1.00 0.00 C ATOM 273 CD1 ILE A 18 1.864 4.952 1.947 1.00 0.00 C ATOM 0 H ILE A 18 3.055 7.533 2.954 1.00 0.00 H new ATOM 0 HA ILE A 18 3.202 6.634 0.144 1.00 0.00 H new ATOM 0 HB ILE A 18 1.014 8.268 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.629 6.672 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.132 6.118 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.484 6.673 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.661 7.468 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.949 5.793 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.735 4.238 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.407 4.556 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.927 5.118 1.775 1.00 0.00 H new ATOM 285 N GLY A 19 2.599 8.852 -1.119 1.00 0.00 N ATOM 286 CA GLY A 19 2.799 10.075 -1.953 1.00 0.00 C ATOM 287 C GLY A 19 3.274 9.644 -3.343 1.00 0.00 C ATOM 288 O GLY A 19 2.510 9.134 -4.136 1.00 0.00 O ATOM 0 H GLY A 19 2.033 8.127 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.869 10.638 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.533 10.734 -1.489 1.00 0.00 H new ATOM 292 N PHE A 20 4.535 9.817 -3.632 1.00 0.00 N ATOM 293 CA PHE A 20 5.068 9.395 -4.964 1.00 0.00 C ATOM 294 C PHE A 20 5.561 7.959 -4.866 1.00 0.00 C ATOM 295 O PHE A 20 5.156 7.099 -5.626 1.00 0.00 O ATOM 296 CB PHE A 20 6.221 10.355 -5.244 1.00 0.00 C ATOM 297 CG PHE A 20 6.180 10.764 -6.688 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.262 11.730 -7.113 1.00 0.00 C ATOM 299 CD2 PHE A 20 7.053 10.172 -7.603 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.217 12.105 -8.462 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.010 10.545 -8.952 1.00 0.00 C ATOM 302 CZ PHE A 20 6.093 11.512 -9.382 1.00 0.00 C ATOM 0 H PHE A 20 5.222 10.233 -3.004 1.00 0.00 H new ATOM 0 HA PHE A 20 4.323 9.429 -5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.144 11.233 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.173 9.876 -5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.589 12.186 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.761 9.427 -7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.508 12.850 -8.793 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.684 10.087 -9.661 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.061 11.801 -10.422 1.00 0.00 H new ATOM 312 N TYR A 21 6.395 7.678 -3.903 1.00 0.00 N ATOM 313 CA TYR A 21 6.878 6.279 -3.720 1.00 0.00 C ATOM 314 C TYR A 21 5.655 5.354 -3.587 1.00 0.00 C ATOM 315 O TYR A 21 5.739 4.156 -3.755 1.00 0.00 O ATOM 316 CB TYR A 21 7.731 6.331 -2.429 1.00 0.00 C ATOM 317 CG TYR A 21 7.163 5.432 -1.348 1.00 0.00 C ATOM 318 CD1 TYR A 21 5.847 5.601 -0.906 1.00 0.00 C ATOM 319 CD2 TYR A 21 7.958 4.423 -0.796 1.00 0.00 C ATOM 320 CE1 TYR A 21 5.327 4.763 0.080 1.00 0.00 C ATOM 321 CE2 TYR A 21 7.438 3.588 0.197 1.00 0.00 C ATOM 322 CZ TYR A 21 6.120 3.759 0.633 1.00 0.00 C ATOM 323 OH TYR A 21 5.601 2.932 1.608 1.00 0.00 O ATOM 0 H TYR A 21 6.763 8.355 -3.235 1.00 0.00 H new ATOM 0 HA TYR A 21 7.469 5.893 -4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.753 6.028 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.776 7.357 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.232 6.382 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.974 4.289 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.309 4.892 0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.053 2.812 0.627 1.00 0.00 H new ATOM 0 HH TYR A 21 5.766 1.997 1.366 1.00 0.00 H new ATOM 333 N GLU A 22 4.515 5.920 -3.277 1.00 0.00 N ATOM 334 CA GLU A 22 3.288 5.100 -3.126 1.00 0.00 C ATOM 335 C GLU A 22 2.945 4.428 -4.449 1.00 0.00 C ATOM 336 O GLU A 22 2.743 3.244 -4.505 1.00 0.00 O ATOM 337 CB GLU A 22 2.198 6.088 -2.715 1.00 0.00 C ATOM 338 CG GLU A 22 0.818 5.473 -2.954 1.00 0.00 C ATOM 339 CD GLU A 22 0.351 5.799 -4.374 1.00 0.00 C ATOM 340 OE1 GLU A 22 0.662 6.880 -4.845 1.00 0.00 O ATOM 341 OE2 GLU A 22 -0.300 4.956 -4.968 1.00 0.00 O ATOM 0 H GLU A 22 4.388 6.920 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 22 3.405 4.304 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.311 6.350 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.298 7.011 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.860 4.393 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.105 5.862 -2.227 1.00 0.00 H new ATOM 348 N ALA A 23 2.883 5.168 -5.517 1.00 0.00 N ATOM 349 CA ALA A 23 2.548 4.540 -6.827 1.00 0.00 C ATOM 350 C ALA A 23 3.231 3.170 -6.952 1.00 0.00 C ATOM 351 O ALA A 23 2.629 2.204 -7.375 1.00 0.00 O ATOM 352 CB ALA A 23 3.083 5.515 -7.876 1.00 0.00 C ATOM 0 H ALA A 23 3.048 6.174 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 23 1.479 4.365 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.876 5.126 -8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.596 6.482 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.159 5.633 -7.748 1.00 0.00 H new ATOM 358 N GLN A 24 4.476 3.080 -6.567 1.00 0.00 N ATOM 359 CA GLN A 24 5.194 1.763 -6.653 1.00 0.00 C ATOM 360 C GLN A 24 4.991 0.937 -5.378 1.00 0.00 C ATOM 361 O GLN A 24 5.299 -0.232 -5.339 1.00 0.00 O ATOM 362 CB GLN A 24 6.669 2.125 -6.846 1.00 0.00 C ATOM 363 CG GLN A 24 7.174 2.905 -5.633 1.00 0.00 C ATOM 364 CD GLN A 24 8.649 2.589 -5.395 1.00 0.00 C ATOM 365 OE1 GLN A 24 9.510 3.088 -6.091 1.00 0.00 O ATOM 366 NE2 GLN A 24 8.977 1.774 -4.431 1.00 0.00 N ATOM 0 H GLN A 24 5.029 3.853 -6.198 1.00 0.00 H new ATOM 0 HA GLN A 24 4.816 1.148 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.261 1.219 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.791 2.722 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.043 3.975 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.589 2.643 -4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.252 1.356 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.958 1.555 -4.260 1.00 0.00 H new ATOM 375 N VAL A 25 4.467 1.538 -4.350 1.00 0.00 N ATOM 376 CA VAL A 25 4.208 0.806 -3.076 1.00 0.00 C ATOM 377 C VAL A 25 2.739 0.336 -3.062 1.00 0.00 C ATOM 378 O VAL A 25 2.441 -0.812 -2.799 1.00 0.00 O ATOM 379 CB VAL A 25 4.487 1.861 -2.005 1.00 0.00 C ATOM 380 CG1 VAL A 25 3.738 1.547 -0.705 1.00 0.00 C ATOM 381 CG2 VAL A 25 5.992 1.903 -1.729 1.00 0.00 C ATOM 0 H VAL A 25 4.202 2.523 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 25 4.816 -0.087 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 25 4.139 2.827 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.957 2.316 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.666 1.526 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.058 0.576 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.201 2.653 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.325 0.926 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.523 2.160 -2.646 1.00 0.00 H new ATOM 391 N LEU A 26 1.822 1.225 -3.354 1.00 0.00 N ATOM 392 CA LEU A 26 0.377 0.856 -3.372 1.00 0.00 C ATOM 393 C LEU A 26 0.070 -0.015 -4.590 1.00 0.00 C ATOM 394 O LEU A 26 -0.582 -1.035 -4.476 1.00 0.00 O ATOM 395 CB LEU A 26 -0.369 2.188 -3.458 1.00 0.00 C ATOM 396 CG LEU A 26 -0.704 2.691 -2.049 1.00 0.00 C ATOM 397 CD1 LEU A 26 -1.786 1.805 -1.431 1.00 0.00 C ATOM 398 CD2 LEU A 26 0.551 2.652 -1.169 1.00 0.00 C ATOM 0 H LEU A 26 2.017 2.200 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 26 0.084 0.282 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.242 2.924 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.284 2.065 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.066 3.717 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.022 2.164 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.682 1.840 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.426 0.778 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.306 3.011 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.920 1.628 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.321 3.289 -1.604 1.00 0.00 H new ATOM 410 N LYS A 27 0.553 0.349 -5.756 1.00 0.00 N ATOM 411 CA LYS A 27 0.292 -0.510 -6.944 1.00 0.00 C ATOM 412 C LYS A 27 1.038 -1.826 -6.742 1.00 0.00 C ATOM 413 O LYS A 27 0.753 -2.827 -7.365 1.00 0.00 O ATOM 414 CB LYS A 27 0.841 0.264 -8.143 1.00 0.00 C ATOM 415 CG LYS A 27 -0.041 0.002 -9.367 1.00 0.00 C ATOM 416 CD LYS A 27 0.158 -1.438 -9.847 1.00 0.00 C ATOM 417 CE LYS A 27 -1.073 -2.273 -9.484 1.00 0.00 C ATOM 418 NZ LYS A 27 -0.743 -3.654 -9.928 1.00 0.00 N ATOM 0 H LYS A 27 1.106 1.188 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.763 -0.738 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.865 1.331 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.867 -0.042 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.088 0.170 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.211 0.700 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.316 -1.454 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.049 -1.866 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.271 -2.239 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.966 -1.899 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.242 -4.340 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.039 -3.781 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.283 -3.808 -9.851 1.00 0.00 H new ATOM 432 N LEU A 28 1.982 -1.818 -5.835 1.00 0.00 N ATOM 433 CA LEU A 28 2.756 -3.036 -5.522 1.00 0.00 C ATOM 434 C LEU A 28 1.991 -3.828 -4.446 1.00 0.00 C ATOM 435 O LEU A 28 1.709 -4.985 -4.628 1.00 0.00 O ATOM 436 CB LEU A 28 4.105 -2.486 -5.050 1.00 0.00 C ATOM 437 CG LEU A 28 4.760 -3.421 -4.043 1.00 0.00 C ATOM 438 CD1 LEU A 28 6.155 -3.814 -4.525 1.00 0.00 C ATOM 439 CD2 LEU A 28 4.879 -2.705 -2.707 1.00 0.00 C ATOM 0 H LEU A 28 2.247 -0.996 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 28 2.902 -3.732 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.765 -2.350 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.962 -1.504 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 28 4.151 -4.319 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.616 -4.483 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.078 -4.321 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.768 -2.919 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.347 -3.368 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.489 -1.809 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.886 -2.424 -2.355 1.00 0.00 H new ATOM 451 N PHE A 29 1.614 -3.206 -3.347 1.00 0.00 N ATOM 452 CA PHE A 29 0.818 -3.926 -2.301 1.00 0.00 C ATOM 453 C PHE A 29 -0.367 -4.607 -2.959 1.00 0.00 C ATOM 454 O PHE A 29 -0.781 -5.681 -2.586 1.00 0.00 O ATOM 455 CB PHE A 29 0.297 -2.829 -1.369 1.00 0.00 C ATOM 456 CG PHE A 29 1.433 -2.198 -0.611 1.00 0.00 C ATOM 457 CD1 PHE A 29 2.727 -2.704 -0.732 1.00 0.00 C ATOM 458 CD2 PHE A 29 1.185 -1.098 0.211 1.00 0.00 C ATOM 459 CE1 PHE A 29 3.773 -2.111 -0.035 1.00 0.00 C ATOM 460 CE2 PHE A 29 2.237 -0.501 0.911 1.00 0.00 C ATOM 461 CZ PHE A 29 3.531 -1.009 0.788 1.00 0.00 C ATOM 0 H PHE A 29 1.825 -2.231 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 29 1.410 -4.676 -1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.227 -2.069 -1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.425 -3.250 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.916 -3.557 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.182 -0.709 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.775 -2.503 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.049 0.352 1.546 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.345 -0.550 1.329 1.00 0.00 H new ATOM 471 N TYR A 30 -0.918 -3.963 -3.936 1.00 0.00 N ATOM 472 CA TYR A 30 -2.085 -4.542 -4.640 1.00 0.00 C ATOM 473 C TYR A 30 -1.609 -5.651 -5.586 1.00 0.00 C ATOM 474 O TYR A 30 -2.352 -6.548 -5.929 1.00 0.00 O ATOM 475 CB TYR A 30 -2.700 -3.377 -5.413 1.00 0.00 C ATOM 476 CG TYR A 30 -4.192 -3.431 -5.240 1.00 0.00 C ATOM 477 CD1 TYR A 30 -4.759 -2.959 -4.053 1.00 0.00 C ATOM 478 CD2 TYR A 30 -5.002 -3.972 -6.240 1.00 0.00 C ATOM 479 CE1 TYR A 30 -6.141 -3.023 -3.864 1.00 0.00 C ATOM 480 CE2 TYR A 30 -6.386 -4.042 -6.051 1.00 0.00 C ATOM 481 CZ TYR A 30 -6.957 -3.567 -4.863 1.00 0.00 C ATOM 482 OH TYR A 30 -8.323 -3.637 -4.678 1.00 0.00 O ATOM 0 H TYR A 30 -0.610 -3.054 -4.281 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.812 -4.992 -3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.309 -2.428 -5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.438 -3.441 -6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.128 -2.544 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.561 -4.335 -7.157 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.580 -2.654 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.015 -4.463 -6.822 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.517 -3.785 -3.729 1.00 0.00 H new ATOM 492 N ALA A 31 -0.360 -5.608 -5.986 1.00 0.00 N ATOM 493 CA ALA A 31 0.176 -6.677 -6.885 1.00 0.00 C ATOM 494 C ALA A 31 0.753 -7.806 -6.026 1.00 0.00 C ATOM 495 O ALA A 31 0.742 -8.962 -6.399 1.00 0.00 O ATOM 496 CB ALA A 31 1.279 -6.004 -7.702 1.00 0.00 C ATOM 0 H ALA A 31 0.308 -4.881 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.588 -7.108 -7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.720 -6.730 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.856 -5.178 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.049 -5.624 -7.030 1.00 0.00 H new ATOM 502 N GLU A 32 1.230 -7.464 -4.860 1.00 0.00 N ATOM 503 CA GLU A 32 1.787 -8.481 -3.932 1.00 0.00 C ATOM 504 C GLU A 32 0.644 -8.979 -3.061 1.00 0.00 C ATOM 505 O GLU A 32 0.431 -10.163 -2.910 1.00 0.00 O ATOM 506 CB GLU A 32 2.827 -7.733 -3.096 1.00 0.00 C ATOM 507 CG GLU A 32 3.843 -7.057 -4.023 1.00 0.00 C ATOM 508 CD GLU A 32 4.779 -8.112 -4.614 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.085 -9.063 -3.914 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.172 -7.951 -5.758 1.00 0.00 O ATOM 0 H GLU A 32 1.256 -6.507 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 32 2.239 -9.337 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.337 -6.986 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.336 -8.426 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.325 -6.527 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.418 -6.315 -3.469 1.00 0.00 H new ATOM 517 N TYR A 33 -0.110 -8.063 -2.510 1.00 0.00 N ATOM 518 CA TYR A 33 -1.286 -8.454 -1.671 1.00 0.00 C ATOM 519 C TYR A 33 -2.577 -8.333 -2.506 1.00 0.00 C ATOM 520 O TYR A 33 -3.270 -7.340 -2.416 1.00 0.00 O ATOM 521 CB TYR A 33 -1.343 -7.464 -0.494 1.00 0.00 C ATOM 522 CG TYR A 33 0.033 -6.968 -0.088 1.00 0.00 C ATOM 523 CD1 TYR A 33 1.135 -7.834 -0.051 1.00 0.00 C ATOM 524 CD2 TYR A 33 0.194 -5.626 0.271 1.00 0.00 C ATOM 525 CE1 TYR A 33 2.391 -7.348 0.344 1.00 0.00 C ATOM 526 CE2 TYR A 33 1.442 -5.145 0.670 1.00 0.00 C ATOM 527 CZ TYR A 33 2.541 -6.003 0.706 1.00 0.00 C ATOM 528 OH TYR A 33 3.771 -5.523 1.108 1.00 0.00 O ATOM 0 H TYR A 33 0.037 -7.058 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.194 -9.481 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.967 -6.613 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.819 -7.946 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.018 -8.872 -0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.653 -4.957 0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.243 -8.012 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.557 -4.108 0.951 1.00 0.00 H new ATOM 0 HH TYR A 33 3.908 -4.625 0.740 1.00 0.00 H new ATOM 538 N PRO A 34 -2.866 -9.343 -3.292 1.00 0.00 N ATOM 539 CA PRO A 34 -4.092 -9.321 -4.139 1.00 0.00 C ATOM 540 C PRO A 34 -5.356 -9.407 -3.278 1.00 0.00 C ATOM 541 O PRO A 34 -6.080 -10.381 -3.319 1.00 0.00 O ATOM 542 CB PRO A 34 -3.943 -10.566 -5.010 1.00 0.00 C ATOM 543 CG PRO A 34 -3.051 -11.473 -4.229 1.00 0.00 C ATOM 544 CD PRO A 34 -2.104 -10.586 -3.471 1.00 0.00 C ATOM 0 HA PRO A 34 -4.190 -8.403 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.909 -11.032 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.508 -10.321 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.631 -12.095 -3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.507 -12.147 -4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.822 -11.025 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.182 -10.415 -4.027 1.00 0.00 H new ATOM 552 N SER A 35 -5.621 -8.385 -2.506 1.00 0.00 N ATOM 553 CA SER A 35 -6.834 -8.370 -1.628 1.00 0.00 C ATOM 554 C SER A 35 -6.715 -7.213 -0.641 1.00 0.00 C ATOM 555 O SER A 35 -5.991 -7.299 0.326 1.00 0.00 O ATOM 556 CB SER A 35 -6.825 -9.705 -0.875 1.00 0.00 C ATOM 557 OG SER A 35 -7.544 -9.565 0.345 1.00 0.00 O ATOM 0 H SER A 35 -5.042 -7.548 -2.445 1.00 0.00 H new ATOM 0 HA SER A 35 -7.755 -8.244 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.277 -10.484 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.799 -10.014 -0.672 1.00 0.00 H new ATOM 0 HG SER A 35 -7.817 -10.449 0.667 1.00 0.00 H new ATOM 563 N THR A 36 -7.404 -6.127 -0.877 1.00 0.00 N ATOM 564 CA THR A 36 -7.301 -4.963 0.057 1.00 0.00 C ATOM 565 C THR A 36 -7.442 -5.407 1.516 1.00 0.00 C ATOM 566 O THR A 36 -6.766 -4.901 2.389 1.00 0.00 O ATOM 567 CB THR A 36 -8.438 -4.023 -0.326 1.00 0.00 C ATOM 568 OG1 THR A 36 -8.561 -3.970 -1.740 1.00 0.00 O ATOM 569 CG2 THR A 36 -8.127 -2.635 0.220 1.00 0.00 C ATOM 0 H THR A 36 -8.031 -5.994 -1.671 1.00 0.00 H new ATOM 0 HA THR A 36 -6.328 -4.479 -0.026 1.00 0.00 H new ATOM 0 HB THR A 36 -9.377 -4.384 0.094 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.294 -3.366 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.932 -1.950 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.035 -2.683 1.305 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.190 -2.277 -0.208 1.00 0.00 H new ATOM 577 N ARG A 37 -8.304 -6.346 1.791 1.00 0.00 N ATOM 578 CA ARG A 37 -8.469 -6.810 3.199 1.00 0.00 C ATOM 579 C ARG A 37 -7.175 -7.475 3.684 1.00 0.00 C ATOM 580 O ARG A 37 -6.614 -7.093 4.693 1.00 0.00 O ATOM 581 CB ARG A 37 -9.621 -7.811 3.157 1.00 0.00 C ATOM 582 CG ARG A 37 -9.884 -8.356 4.564 1.00 0.00 C ATOM 583 CD ARG A 37 -9.349 -9.787 4.672 1.00 0.00 C ATOM 584 NE ARG A 37 -9.498 -10.143 6.111 1.00 0.00 N ATOM 585 CZ ARG A 37 -8.688 -11.007 6.659 1.00 0.00 C ATOM 586 NH1 ARG A 37 -7.400 -10.898 6.482 1.00 0.00 N ATOM 587 NH2 ARG A 37 -9.167 -11.980 7.387 1.00 0.00 N ATOM 0 H ARG A 37 -8.899 -6.811 1.106 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.679 -5.992 3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.519 -7.330 2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.380 -8.630 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.402 -7.720 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.953 -8.340 4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.913 -10.469 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.307 -9.844 4.356 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.234 -9.711 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.026 -10.137 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.767 -11.574 6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.174 -12.064 7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.534 -12.656 7.815 1.00 0.00 H new ATOM 601 N LYS A 38 -6.685 -8.451 2.965 1.00 0.00 N ATOM 602 CA LYS A 38 -5.413 -9.116 3.380 1.00 0.00 C ATOM 603 C LYS A 38 -4.237 -8.174 3.095 1.00 0.00 C ATOM 604 O LYS A 38 -3.197 -8.244 3.718 1.00 0.00 O ATOM 605 CB LYS A 38 -5.321 -10.381 2.524 1.00 0.00 C ATOM 606 CG LYS A 38 -6.253 -11.453 3.098 1.00 0.00 C ATOM 607 CD LYS A 38 -5.686 -12.846 2.796 1.00 0.00 C ATOM 608 CE LYS A 38 -5.625 -13.671 4.088 1.00 0.00 C ATOM 609 NZ LYS A 38 -6.569 -14.802 3.867 1.00 0.00 N ATOM 0 H LYS A 38 -7.108 -8.816 2.112 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.388 -9.358 4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.597 -10.157 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.295 -10.747 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.359 -11.318 4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.248 -11.353 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.311 -13.352 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.690 -12.758 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.614 -14.032 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.919 -13.074 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.583 -15.412 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.524 -14.428 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.260 -15.356 3.043 1.00 0.00 H new ATOM 623 N LEU A 39 -4.420 -7.277 2.163 1.00 0.00 N ATOM 624 CA LEU A 39 -3.354 -6.292 1.818 1.00 0.00 C ATOM 625 C LEU A 39 -3.236 -5.282 2.962 1.00 0.00 C ATOM 626 O LEU A 39 -2.158 -4.885 3.358 1.00 0.00 O ATOM 627 CB LEU A 39 -3.875 -5.634 0.530 1.00 0.00 C ATOM 628 CG LEU A 39 -3.106 -4.351 0.212 1.00 0.00 C ATOM 629 CD1 LEU A 39 -3.091 -4.129 -1.302 1.00 0.00 C ATOM 630 CD2 LEU A 39 -3.792 -3.164 0.896 1.00 0.00 C ATOM 0 H LEU A 39 -5.277 -7.184 1.618 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.364 -6.726 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.781 -6.332 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.936 -5.408 0.638 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.082 -4.439 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.543 -3.215 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.605 -4.974 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.114 -4.039 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.245 -2.248 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.815 -3.075 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.804 -3.323 1.974 1.00 0.00 H new ATOM 642 N ALA A 40 -4.354 -4.887 3.498 1.00 0.00 N ATOM 643 CA ALA A 40 -4.363 -3.918 4.633 1.00 0.00 C ATOM 644 C ALA A 40 -3.883 -4.599 5.918 1.00 0.00 C ATOM 645 O ALA A 40 -3.314 -3.971 6.791 1.00 0.00 O ATOM 646 CB ALA A 40 -5.827 -3.506 4.764 1.00 0.00 C ATOM 0 H ALA A 40 -5.277 -5.197 3.195 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.703 -3.067 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.932 -2.790 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.161 -3.048 3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.435 -4.386 4.974 1.00 0.00 H new ATOM 652 N GLN A 41 -4.108 -5.881 6.039 1.00 0.00 N ATOM 653 CA GLN A 41 -3.662 -6.607 7.265 1.00 0.00 C ATOM 654 C GLN A 41 -2.139 -6.530 7.386 1.00 0.00 C ATOM 655 O GLN A 41 -1.600 -6.328 8.456 1.00 0.00 O ATOM 656 CB GLN A 41 -4.116 -8.053 7.058 1.00 0.00 C ATOM 657 CG GLN A 41 -3.655 -8.912 8.239 1.00 0.00 C ATOM 658 CD GLN A 41 -4.168 -10.342 8.061 1.00 0.00 C ATOM 659 OE1 GLN A 41 -4.385 -10.790 6.953 1.00 0.00 O ATOM 660 NE2 GLN A 41 -4.373 -11.084 9.116 1.00 0.00 N ATOM 0 H GLN A 41 -4.581 -6.457 5.342 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.078 -6.182 8.178 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.201 -8.094 6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.704 -8.444 6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.567 -8.910 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.028 -8.494 9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.191 -10.709 10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.715 -12.039 9.009 1.00 0.00 H new ATOM 669 N ARG A 42 -1.446 -6.684 6.290 1.00 0.00 N ATOM 670 CA ARG A 42 0.041 -6.612 6.329 1.00 0.00 C ATOM 671 C ARG A 42 0.486 -5.152 6.428 1.00 0.00 C ATOM 672 O ARG A 42 1.489 -4.836 7.032 1.00 0.00 O ATOM 673 CB ARG A 42 0.500 -7.224 5.005 1.00 0.00 C ATOM 674 CG ARG A 42 1.962 -7.657 5.118 1.00 0.00 C ATOM 675 CD ARG A 42 2.179 -8.942 4.315 1.00 0.00 C ATOM 676 NE ARG A 42 1.819 -10.044 5.250 1.00 0.00 N ATOM 677 CZ ARG A 42 0.571 -10.397 5.394 1.00 0.00 C ATOM 678 NH1 ARG A 42 -0.018 -11.102 4.467 1.00 0.00 N ATOM 679 NH2 ARG A 42 -0.088 -10.045 6.463 1.00 0.00 N ATOM 0 H ARG A 42 -1.847 -6.857 5.368 1.00 0.00 H new ATOM 0 HA ARG A 42 0.463 -7.136 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.125 -8.081 4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.386 -6.499 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.615 -6.868 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.224 -7.821 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.553 -8.961 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.213 -9.029 3.981 1.00 0.00 H new ATOM 0 HE ARG A 42 2.548 -10.523 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.497 -11.377 3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.993 -11.378 4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.372 -9.493 7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.063 -10.321 6.575 1.00 0.00 H new ATOM 693 N LEU A 43 -0.262 -4.265 5.831 1.00 0.00 N ATOM 694 CA LEU A 43 0.093 -2.816 5.878 1.00 0.00 C ATOM 695 C LEU A 43 -0.427 -2.168 7.167 1.00 0.00 C ATOM 696 O LEU A 43 -0.268 -0.981 7.377 1.00 0.00 O ATOM 697 CB LEU A 43 -0.592 -2.219 4.649 1.00 0.00 C ATOM 698 CG LEU A 43 0.402 -2.093 3.479 1.00 0.00 C ATOM 699 CD1 LEU A 43 1.182 -0.785 3.602 1.00 0.00 C ATOM 700 CD2 LEU A 43 1.392 -3.266 3.477 1.00 0.00 C ATOM 0 H LEU A 43 -1.111 -4.483 5.308 1.00 0.00 H new ATOM 0 HA LEU A 43 1.170 -2.650 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.432 -2.848 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.999 -1.238 4.894 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.164 -2.104 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.884 -0.700 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.489 0.056 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.731 -0.776 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.084 -3.156 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.950 -3.273 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.845 -4.203 3.374 1.00 0.00 H new ATOM 712 N GLY A 44 -1.044 -2.931 8.034 1.00 0.00 N ATOM 713 CA GLY A 44 -1.565 -2.347 9.306 1.00 0.00 C ATOM 714 C GLY A 44 -2.498 -1.177 8.994 1.00 0.00 C ATOM 715 O GLY A 44 -2.141 -0.027 9.162 1.00 0.00 O ATOM 0 H GLY A 44 -1.209 -3.931 7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.099 -3.108 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.736 -2.008 9.927 1.00 0.00 H new ATOM 719 N VAL A 45 -3.686 -1.457 8.532 1.00 0.00 N ATOM 720 CA VAL A 45 -4.629 -0.351 8.198 1.00 0.00 C ATOM 721 C VAL A 45 -6.083 -0.822 8.308 1.00 0.00 C ATOM 722 O VAL A 45 -6.354 -1.978 8.567 1.00 0.00 O ATOM 723 CB VAL A 45 -4.294 0.040 6.755 1.00 0.00 C ATOM 724 CG1 VAL A 45 -3.275 1.179 6.768 1.00 0.00 C ATOM 725 CG2 VAL A 45 -3.704 -1.159 6.003 1.00 0.00 C ATOM 0 H VAL A 45 -4.044 -2.399 8.372 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.525 0.491 8.883 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.206 0.360 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.032 1.462 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.696 2.038 7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.369 0.851 7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.471 -0.867 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.793 -1.490 6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.428 -1.974 5.992 1.00 0.00 H new ATOM 735 N SER A 46 -7.017 0.073 8.118 1.00 0.00 N ATOM 736 CA SER A 46 -8.459 -0.308 8.217 1.00 0.00 C ATOM 737 C SER A 46 -8.988 -0.773 6.856 1.00 0.00 C ATOM 738 O SER A 46 -10.105 -0.476 6.483 1.00 0.00 O ATOM 739 CB SER A 46 -9.174 0.966 8.665 1.00 0.00 C ATOM 740 OG SER A 46 -9.990 0.673 9.792 1.00 0.00 O ATOM 0 H SER A 46 -6.844 1.054 7.898 1.00 0.00 H new ATOM 0 HA SER A 46 -8.618 -1.133 8.912 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.445 1.736 8.919 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.784 1.360 7.852 1.00 0.00 H new ATOM 0 HG SER A 46 -10.449 1.488 10.084 1.00 0.00 H new ATOM 746 N HIS A 47 -8.190 -1.500 6.117 1.00 0.00 N ATOM 747 CA HIS A 47 -8.613 -2.001 4.780 1.00 0.00 C ATOM 748 C HIS A 47 -9.266 -0.902 3.936 1.00 0.00 C ATOM 749 O HIS A 47 -8.612 -0.264 3.141 1.00 0.00 O ATOM 750 CB HIS A 47 -9.609 -3.131 5.061 1.00 0.00 C ATOM 751 CG HIS A 47 -10.284 -3.504 3.769 1.00 0.00 C ATOM 752 ND1 HIS A 47 -10.033 -3.121 2.478 1.00 0.00 N flip ATOM 753 CD2 HIS A 47 -11.375 -4.347 3.706 1.00 0.00 C flip ATOM 754 CE1 HIS A 47 -10.946 -3.709 1.624 1.00 0.00 C flip ATOM 755 NE2 HIS A 47 -11.733 -4.435 2.412 1.00 0.00 N flip ATOM 0 H HIS A 47 -7.246 -1.771 6.392 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.753 -2.344 4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -9.094 -3.994 5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.348 -2.811 5.796 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -11.852 -4.843 4.539 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.007 -3.602 0.551 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.517 -4.994 2.075 1.00 0.00 H new ATOM 763 N THR A 48 -10.554 -0.704 4.069 1.00 0.00 N ATOM 764 CA THR A 48 -11.235 0.329 3.237 1.00 0.00 C ATOM 765 C THR A 48 -10.398 1.605 3.198 1.00 0.00 C ATOM 766 O THR A 48 -10.242 2.227 2.165 1.00 0.00 O ATOM 767 CB THR A 48 -12.569 0.600 3.919 1.00 0.00 C ATOM 768 OG1 THR A 48 -12.936 -0.514 4.724 1.00 0.00 O ATOM 769 CG2 THR A 48 -13.641 0.843 2.857 1.00 0.00 C ATOM 0 H THR A 48 -11.159 -1.211 4.715 1.00 0.00 H new ATOM 0 HA THR A 48 -11.370 -0.008 2.209 1.00 0.00 H new ATOM 0 HB THR A 48 -12.478 1.482 4.553 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.589 -0.390 5.632 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.597 1.037 3.343 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.362 1.703 2.248 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.730 -0.038 2.221 1.00 0.00 H new ATOM 777 N ALA A 49 -9.837 1.984 4.316 1.00 0.00 N ATOM 778 CA ALA A 49 -8.988 3.206 4.336 1.00 0.00 C ATOM 779 C ALA A 49 -7.848 3.026 3.334 1.00 0.00 C ATOM 780 O ALA A 49 -7.459 3.944 2.639 1.00 0.00 O ATOM 781 CB ALA A 49 -8.447 3.300 5.765 1.00 0.00 C ATOM 0 H ALA A 49 -9.930 1.502 5.210 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.533 4.110 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.810 4.180 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.279 3.381 6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.866 2.407 5.994 1.00 0.00 H new ATOM 787 N ILE A 50 -7.325 1.830 3.249 1.00 0.00 N ATOM 788 CA ILE A 50 -6.224 1.556 2.287 1.00 0.00 C ATOM 789 C ILE A 50 -6.772 1.576 0.854 1.00 0.00 C ATOM 790 O ILE A 50 -6.202 2.185 -0.027 1.00 0.00 O ATOM 791 CB ILE A 50 -5.679 0.163 2.683 1.00 0.00 C ATOM 792 CG1 ILE A 50 -4.147 0.188 2.653 1.00 0.00 C ATOM 793 CG2 ILE A 50 -6.178 -0.934 1.729 1.00 0.00 C ATOM 794 CD1 ILE A 50 -3.660 0.558 1.249 1.00 0.00 C ATOM 0 H ILE A 50 -7.617 1.029 3.809 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.432 2.304 2.320 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.040 -0.064 3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.772 0.909 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.753 -0.787 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.774 -1.898 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.267 -0.971 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.847 -0.712 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.570 0.574 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.022 -0.179 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.041 1.543 0.980 1.00 0.00 H new ATOM 806 N ALA A 51 -7.878 0.918 0.620 1.00 0.00 N ATOM 807 CA ALA A 51 -8.463 0.892 -0.754 1.00 0.00 C ATOM 808 C ALA A 51 -8.756 2.311 -1.235 1.00 0.00 C ATOM 809 O ALA A 51 -8.388 2.686 -2.331 1.00 0.00 O ATOM 810 CB ALA A 51 -9.760 0.089 -0.630 1.00 0.00 C ATOM 0 H ALA A 51 -8.402 0.397 1.323 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.780 0.447 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.245 0.029 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.533 -0.916 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.427 0.582 0.077 1.00 0.00 H new ATOM 816 N ASN A 52 -9.416 3.106 -0.428 1.00 0.00 N ATOM 817 CA ASN A 52 -9.723 4.508 -0.849 1.00 0.00 C ATOM 818 C ASN A 52 -8.466 5.164 -1.420 1.00 0.00 C ATOM 819 O ASN A 52 -8.530 5.965 -2.332 1.00 0.00 O ATOM 820 CB ASN A 52 -10.177 5.218 0.429 1.00 0.00 C ATOM 821 CG ASN A 52 -11.356 6.138 0.112 1.00 0.00 C ATOM 822 OD1 ASN A 52 -11.178 7.319 -0.110 1.00 0.00 O ATOM 823 ND2 ASN A 52 -12.562 5.642 0.083 1.00 0.00 N ATOM 0 H ASN A 52 -9.754 2.846 0.499 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.487 4.554 -1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.467 4.485 1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.354 5.796 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.357 6.246 -0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.710 4.650 0.270 1.00 0.00 H new ATOM 830 N LYS A 53 -7.320 4.806 -0.906 1.00 0.00 N ATOM 831 CA LYS A 53 -6.054 5.383 -1.436 1.00 0.00 C ATOM 832 C LYS A 53 -5.693 4.676 -2.745 1.00 0.00 C ATOM 833 O LYS A 53 -5.256 5.293 -3.696 1.00 0.00 O ATOM 834 CB LYS A 53 -5.002 5.104 -0.362 1.00 0.00 C ATOM 835 CG LYS A 53 -5.356 5.871 0.914 1.00 0.00 C ATOM 836 CD LYS A 53 -4.560 7.177 0.966 1.00 0.00 C ATOM 837 CE LYS A 53 -4.645 7.774 2.373 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.043 8.271 2.495 1.00 0.00 N ATOM 0 H LYS A 53 -7.207 4.139 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.130 6.450 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.954 4.035 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.016 5.404 -0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.425 6.084 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.133 5.262 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.519 6.991 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.953 7.884 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.424 7.025 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.926 8.582 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.122 8.883 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.294 8.814 1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.691 7.464 2.595 1.00 0.00 H new ATOM 852 N LEU A 54 -5.890 3.381 -2.804 1.00 0.00 N ATOM 853 CA LEU A 54 -5.573 2.631 -4.057 1.00 0.00 C ATOM 854 C LEU A 54 -6.383 3.214 -5.217 1.00 0.00 C ATOM 855 O LEU A 54 -5.838 3.629 -6.222 1.00 0.00 O ATOM 856 CB LEU A 54 -6.007 1.179 -3.792 1.00 0.00 C ATOM 857 CG LEU A 54 -4.872 0.361 -3.148 1.00 0.00 C ATOM 858 CD1 LEU A 54 -3.569 0.523 -3.935 1.00 0.00 C ATOM 859 CD2 LEU A 54 -4.652 0.825 -1.711 1.00 0.00 C ATOM 0 H LEU A 54 -6.256 2.813 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.517 2.694 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.879 1.172 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.308 0.711 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.161 -0.690 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.782 -0.064 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.716 0.175 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.280 1.574 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.848 0.243 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.382 1.881 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.568 0.683 -1.138 1.00 0.00 H new ATOM 871 N LYS A 55 -7.683 3.248 -5.080 1.00 0.00 N ATOM 872 CA LYS A 55 -8.541 3.808 -6.167 1.00 0.00 C ATOM 873 C LYS A 55 -8.098 5.234 -6.506 1.00 0.00 C ATOM 874 O LYS A 55 -7.950 5.588 -7.658 1.00 0.00 O ATOM 875 CB LYS A 55 -9.960 3.809 -5.596 1.00 0.00 C ATOM 876 CG LYS A 55 -10.956 4.163 -6.701 1.00 0.00 C ATOM 877 CD LYS A 55 -12.281 3.440 -6.448 1.00 0.00 C ATOM 878 CE LYS A 55 -13.120 4.247 -5.452 1.00 0.00 C ATOM 879 NZ LYS A 55 -12.923 3.565 -4.143 1.00 0.00 N ATOM 0 H LYS A 55 -8.189 2.911 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.474 3.226 -7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.196 2.830 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.035 4.529 -4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.117 5.241 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.554 3.877 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.826 3.318 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.093 2.440 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.792 5.286 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.172 4.256 -5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.557 3.985 -3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.138 2.552 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.936 3.680 -3.836 1.00 0.00 H new ATOM 893 N GLN A 56 -7.887 6.053 -5.510 1.00 0.00 N ATOM 894 CA GLN A 56 -7.452 7.458 -5.779 1.00 0.00 C ATOM 895 C GLN A 56 -6.182 7.474 -6.643 1.00 0.00 C ATOM 896 O GLN A 56 -6.073 8.241 -7.580 1.00 0.00 O ATOM 897 CB GLN A 56 -7.173 8.070 -4.403 1.00 0.00 C ATOM 898 CG GLN A 56 -8.066 9.296 -4.198 1.00 0.00 C ATOM 899 CD GLN A 56 -7.385 10.271 -3.235 1.00 0.00 C ATOM 900 OE1 GLN A 56 -6.180 10.253 -3.084 1.00 0.00 O ATOM 901 NE2 GLN A 56 -8.113 11.131 -2.575 1.00 0.00 N ATOM 0 H GLN A 56 -7.996 5.813 -4.525 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.211 8.018 -6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.362 7.334 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.124 8.354 -4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.255 9.785 -5.154 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.034 8.991 -3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.125 11.146 -2.702 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.670 11.788 -1.933 1.00 0.00 H new ATOM 910 N TYR A 57 -5.225 6.637 -6.337 1.00 0.00 N ATOM 911 CA TYR A 57 -3.964 6.612 -7.144 1.00 0.00 C ATOM 912 C TYR A 57 -4.218 5.972 -8.514 1.00 0.00 C ATOM 913 O TYR A 57 -3.466 6.171 -9.449 1.00 0.00 O ATOM 914 CB TYR A 57 -2.989 5.752 -6.337 1.00 0.00 C ATOM 915 CG TYR A 57 -2.487 6.524 -5.140 1.00 0.00 C ATOM 916 CD1 TYR A 57 -1.893 7.779 -5.312 1.00 0.00 C ATOM 917 CD2 TYR A 57 -2.609 5.978 -3.856 1.00 0.00 C ATOM 918 CE1 TYR A 57 -1.422 8.489 -4.201 1.00 0.00 C ATOM 919 CE2 TYR A 57 -2.138 6.689 -2.746 1.00 0.00 C ATOM 920 CZ TYR A 57 -1.546 7.945 -2.918 1.00 0.00 C ATOM 921 OH TYR A 57 -1.083 8.644 -1.823 1.00 0.00 O ATOM 0 H TYR A 57 -5.260 5.970 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.578 7.615 -7.324 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.484 4.838 -6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.150 5.453 -6.965 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.798 8.200 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.066 5.009 -3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.963 9.457 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.232 6.268 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.451 8.251 -1.004 1.00 0.00 H new ATOM 931 N GLY A 58 -5.265 5.201 -8.636 1.00 0.00 N ATOM 932 CA GLY A 58 -5.563 4.539 -9.940 1.00 0.00 C ATOM 933 C GLY A 58 -5.541 3.017 -9.757 1.00 0.00 C ATOM 934 O GLY A 58 -5.404 2.270 -10.705 1.00 0.00 O ATOM 0 H GLY A 58 -5.928 5.000 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.538 4.858 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.828 4.837 -10.688 1.00 0.00 H new ATOM 938 N ILE A 59 -5.671 2.555 -8.540 1.00 0.00 N ATOM 939 CA ILE A 59 -5.658 1.084 -8.282 1.00 0.00 C ATOM 940 C ILE A 59 -6.992 0.664 -7.659 1.00 0.00 C ATOM 941 O ILE A 59 -8.033 1.192 -7.996 1.00 0.00 O ATOM 942 CB ILE A 59 -4.509 0.844 -7.302 1.00 0.00 C ATOM 943 CG1 ILE A 59 -3.348 1.793 -7.600 1.00 0.00 C ATOM 944 CG2 ILE A 59 -4.015 -0.602 -7.436 1.00 0.00 C ATOM 945 CD1 ILE A 59 -2.315 1.646 -6.495 1.00 0.00 C ATOM 0 H ILE A 59 -5.786 3.136 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.524 0.506 -9.196 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.871 1.025 -6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.905 1.558 -8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.703 2.822 -7.653 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.196 -0.773 -6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.832 -1.288 -7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.665 -0.774 -8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.477 2.316 -6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.768 1.900 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.958 0.617 -6.466 1.00 0.00 H new