USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 SER OG : rot 180:sc= 0.0552 USER MOD Single : A 18 TYR OH : rot -116:sc= 0.252 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 31 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 52:sc= -0.0535 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0272 (180deg=-0.278) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.015 USER MOD Single : A 49 SER OG : rot 40:sc= 0.713 USER MOD Single : A 51 GLN :FLIP amide:sc=-0.00776 F(o=-0.54,f=-0.0078) USER MOD Single : A 62 ASN : amide:sc= -0.0289 X(o=-0.029,f=-0.19) USER MOD Single : A 69 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.76) USER MOD Single : A 70 GLN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.088) USER MOD Single : A 75 SER OG : rot -7:sc= 0.738 USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -0.244 (180deg=-2.09!) USER MOD Single : A 80 ASN : amide:sc= -0.0862 X(o=-0.086,f=-0.12) USER MOD Single : A 82 GLN :FLIP amide:sc= -3.16 F(o=-4.6!,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 14 18.973 -6.607 -1.228 1.00 0.00 N ATOM 2 CA LEU A 14 19.985 -6.213 -0.235 1.00 0.00 C ATOM 3 C LEU A 14 19.658 -4.823 0.292 1.00 0.00 C ATOM 4 O LEU A 14 19.675 -4.650 1.510 1.00 0.00 O ATOM 5 CB LEU A 14 21.439 -6.304 -0.734 1.00 0.00 C ATOM 6 CG LEU A 14 22.034 -7.718 -0.829 1.00 0.00 C ATOM 7 CD1 LEU A 14 22.059 -8.426 0.529 1.00 0.00 C ATOM 8 CD2 LEU A 14 21.332 -8.613 -1.857 1.00 0.00 C ATOM 0 HA LEU A 14 19.933 -6.941 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.493 -5.842 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 14 22.068 -5.711 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 14 23.057 -7.562 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.487 -9.421 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.665 -7.850 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.043 -8.511 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.806 -9.595 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.281 -8.720 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.409 -8.161 -2.846 1.00 0.00 H new ATOM 20 N LEU A 15 19.311 -3.865 -0.585 1.00 0.00 N ATOM 21 CA LEU A 15 18.700 -2.608 -0.146 1.00 0.00 C ATOM 22 C LEU A 15 17.394 -2.922 0.586 1.00 0.00 C ATOM 23 O LEU A 15 16.795 -3.974 0.326 1.00 0.00 O ATOM 24 CB LEU A 15 18.354 -1.675 -1.327 1.00 0.00 C ATOM 25 CG LEU A 15 19.451 -1.405 -2.369 1.00 0.00 C ATOM 26 CD1 LEU A 15 18.941 -0.406 -3.411 1.00 0.00 C ATOM 27 CD2 LEU A 15 20.749 -0.859 -1.770 1.00 0.00 C ATOM 0 H LEU A 15 19.444 -3.940 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 15 19.424 -2.105 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.494 -2.097 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.039 -0.716 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 15 19.681 -2.371 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.722 -0.218 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.063 -0.817 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.674 0.529 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 15 21.475 -0.693 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.547 0.084 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 21.151 -1.578 -1.056 1.00 0.00 H new ATOM 39 N ASP A 16 16.877 -1.997 1.397 1.00 0.00 N ATOM 40 CA ASP A 16 15.566 -2.164 2.038 1.00 0.00 C ATOM 41 C ASP A 16 14.580 -1.095 1.561 1.00 0.00 C ATOM 42 O ASP A 16 13.876 -0.451 2.342 1.00 0.00 O ATOM 43 CB ASP A 16 15.700 -2.287 3.560 1.00 0.00 C ATOM 44 CG ASP A 16 14.632 -3.210 4.151 1.00 0.00 C ATOM 45 OD1 ASP A 16 13.533 -3.363 3.576 1.00 0.00 O ATOM 46 OD2 ASP A 16 14.960 -3.905 5.141 1.00 0.00 O ATOM 0 H ASP A 16 17.346 -1.121 1.628 1.00 0.00 H new ATOM 0 HA ASP A 16 15.131 -3.112 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.690 -2.670 3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.618 -1.299 4.013 1.00 0.00 H new ATOM 51 N SER A 17 14.571 -0.868 0.247 1.00 0.00 N ATOM 52 CA SER A 17 13.794 0.139 -0.471 1.00 0.00 C ATOM 53 C SER A 17 12.279 -0.101 -0.493 1.00 0.00 C ATOM 54 O SER A 17 11.537 0.679 -1.096 1.00 0.00 O ATOM 55 CB SER A 17 14.349 0.233 -1.892 1.00 0.00 C ATOM 56 OG SER A 17 14.525 -1.048 -2.483 1.00 0.00 O ATOM 0 H SER A 17 15.147 -1.422 -0.386 1.00 0.00 H new ATOM 0 HA SER A 17 13.905 1.078 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.672 0.825 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.304 0.758 -1.874 1.00 0.00 H new ATOM 0 HG SER A 17 14.879 -0.944 -3.391 1.00 0.00 H new ATOM 62 N TYR A 18 11.779 -1.199 0.079 1.00 0.00 N ATOM 63 CA TYR A 18 10.336 -1.394 0.193 1.00 0.00 C ATOM 64 C TYR A 18 9.772 -0.616 1.379 1.00 0.00 C ATOM 65 O TYR A 18 8.604 -0.243 1.338 1.00 0.00 O ATOM 66 CB TYR A 18 9.994 -2.883 0.265 1.00 0.00 C ATOM 67 CG TYR A 18 10.101 -3.570 -1.084 1.00 0.00 C ATOM 68 CD1 TYR A 18 9.059 -3.457 -2.026 1.00 0.00 C ATOM 69 CD2 TYR A 18 11.255 -4.302 -1.413 1.00 0.00 C ATOM 70 CE1 TYR A 18 9.161 -4.099 -3.274 1.00 0.00 C ATOM 71 CE2 TYR A 18 11.369 -4.934 -2.662 1.00 0.00 C ATOM 72 CZ TYR A 18 10.312 -4.856 -3.591 1.00 0.00 C ATOM 73 OH TYR A 18 10.424 -5.493 -4.790 1.00 0.00 O ATOM 0 H TYR A 18 12.344 -1.955 0.465 1.00 0.00 H new ATOM 0 HA TYR A 18 9.861 -0.997 -0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.663 -3.372 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.981 -3.002 0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.180 -2.876 -1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.061 -4.379 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.358 -4.013 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.267 -5.480 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 18 10.454 -6.462 -4.644 1.00 0.00 H new ATOM 83 N GLU A 19 10.572 -0.303 2.398 1.00 0.00 N ATOM 84 CA GLU A 19 10.107 0.426 3.575 1.00 0.00 C ATOM 85 C GLU A 19 9.503 1.787 3.192 1.00 0.00 C ATOM 86 O GLU A 19 8.497 2.194 3.773 1.00 0.00 O ATOM 87 CB GLU A 19 11.275 0.592 4.554 1.00 0.00 C ATOM 88 CG GLU A 19 11.664 -0.713 5.262 1.00 0.00 C ATOM 89 CD GLU A 19 10.832 -0.898 6.530 1.00 0.00 C ATOM 90 OE1 GLU A 19 9.589 -1.053 6.441 1.00 0.00 O ATOM 91 OE2 GLU A 19 11.401 -0.794 7.635 1.00 0.00 O ATOM 0 H GLU A 19 11.562 -0.549 2.430 1.00 0.00 H new ATOM 0 HA GLU A 19 9.313 -0.145 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.141 0.976 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.009 1.338 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.510 -1.558 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.724 -0.696 5.514 1.00 0.00 H new ATOM 98 N ALA A 20 10.084 2.478 2.207 1.00 0.00 N ATOM 99 CA ALA A 20 9.612 3.742 1.654 1.00 0.00 C ATOM 100 C ALA A 20 8.174 3.609 1.135 1.00 0.00 C ATOM 101 O ALA A 20 7.300 4.419 1.455 1.00 0.00 O ATOM 102 CB ALA A 20 10.579 4.164 0.534 1.00 0.00 C ATOM 0 H ALA A 20 10.938 2.152 1.754 1.00 0.00 H new ATOM 0 HA ALA A 20 9.595 4.508 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.247 5.109 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.581 4.285 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.595 3.398 -0.241 1.00 0.00 H new ATOM 108 N ILE A 21 7.924 2.568 0.341 1.00 0.00 N ATOM 109 CA ILE A 21 6.620 2.242 -0.222 1.00 0.00 C ATOM 110 C ILE A 21 5.652 1.941 0.925 1.00 0.00 C ATOM 111 O ILE A 21 4.596 2.568 1.023 1.00 0.00 O ATOM 112 CB ILE A 21 6.760 1.059 -1.207 1.00 0.00 C ATOM 113 CG1 ILE A 21 7.659 1.432 -2.408 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.374 0.598 -1.681 1.00 0.00 C ATOM 115 CD1 ILE A 21 8.056 0.235 -3.281 1.00 0.00 C ATOM 0 H ILE A 21 8.651 1.908 0.064 1.00 0.00 H new ATOM 0 HA ILE A 21 6.218 3.082 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 21 7.241 0.233 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.138 2.163 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.563 1.914 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.485 -0.236 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.783 0.279 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.868 1.423 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.686 0.577 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.606 -0.488 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.159 -0.235 -3.683 1.00 0.00 H new ATOM 127 N LEU A 22 6.009 0.991 1.794 1.00 0.00 N ATOM 128 CA LEU A 22 5.263 0.555 2.960 1.00 0.00 C ATOM 129 C LEU A 22 4.820 1.727 3.836 1.00 0.00 C ATOM 130 O LEU A 22 3.723 1.674 4.394 1.00 0.00 O ATOM 131 CB LEU A 22 6.170 -0.430 3.725 1.00 0.00 C ATOM 132 CG LEU A 22 5.994 -1.902 3.311 1.00 0.00 C ATOM 133 CD1 LEU A 22 5.968 -2.194 1.809 1.00 0.00 C ATOM 134 CD2 LEU A 22 7.074 -2.767 3.971 1.00 0.00 C ATOM 0 H LEU A 22 6.884 0.478 1.688 1.00 0.00 H new ATOM 0 HA LEU A 22 4.337 0.067 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.210 -0.143 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.968 -0.338 4.792 1.00 0.00 H new ATOM 0 HG LEU A 22 4.993 -2.153 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.839 -3.264 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.140 -1.656 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.906 -1.870 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.941 -3.807 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.059 -2.422 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.991 -2.688 5.055 1.00 0.00 H new ATOM 146 N SER A 23 5.628 2.782 3.945 1.00 0.00 N ATOM 147 CA SER A 23 5.250 3.987 4.681 1.00 0.00 C ATOM 148 C SER A 23 4.188 4.783 3.935 1.00 0.00 C ATOM 149 O SER A 23 3.162 5.117 4.525 1.00 0.00 O ATOM 150 CB SER A 23 6.480 4.836 5.005 1.00 0.00 C ATOM 151 OG SER A 23 7.123 4.243 6.112 1.00 0.00 O ATOM 0 H SER A 23 6.558 2.825 3.528 1.00 0.00 H new ATOM 0 HA SER A 23 4.807 3.680 5.628 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.153 4.879 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.189 5.861 5.234 1.00 0.00 H new ATOM 0 HG SER A 23 7.920 4.764 6.345 1.00 0.00 H new ATOM 157 N GLY A 24 4.366 5.039 2.636 1.00 0.00 N ATOM 158 CA GLY A 24 3.345 5.730 1.856 1.00 0.00 C ATOM 159 C GLY A 24 2.015 4.973 1.837 1.00 0.00 C ATOM 160 O GLY A 24 0.955 5.593 1.758 1.00 0.00 O ATOM 0 H GLY A 24 5.200 4.780 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.187 6.726 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.700 5.862 0.834 1.00 0.00 H new ATOM 164 N ILE A 25 2.044 3.642 1.901 1.00 0.00 N ATOM 165 CA ILE A 25 0.846 2.811 1.909 1.00 0.00 C ATOM 166 C ILE A 25 0.198 2.842 3.289 1.00 0.00 C ATOM 167 O ILE A 25 -1.014 3.018 3.358 1.00 0.00 O ATOM 168 CB ILE A 25 1.182 1.391 1.415 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.522 1.519 -0.088 1.00 0.00 C ATOM 170 CG2 ILE A 25 0.027 0.392 1.650 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.927 0.194 -0.710 1.00 0.00 C ATOM 0 H ILE A 25 2.911 3.107 1.949 1.00 0.00 H new ATOM 0 HA ILE A 25 0.107 3.209 1.213 1.00 0.00 H new ATOM 0 HB ILE A 25 2.023 0.987 1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.658 1.917 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.332 2.238 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.317 -0.593 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.191 0.332 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.861 0.730 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.155 0.342 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.809 -0.193 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.109 -0.519 -0.612 1.00 0.00 H new ATOM 183 N GLU A 26 0.962 2.705 4.369 1.00 0.00 N ATOM 184 CA GLU A 26 0.466 2.843 5.737 1.00 0.00 C ATOM 185 C GLU A 26 -0.232 4.198 5.910 1.00 0.00 C ATOM 186 O GLU A 26 -1.386 4.272 6.341 1.00 0.00 O ATOM 187 CB GLU A 26 1.650 2.636 6.696 1.00 0.00 C ATOM 188 CG GLU A 26 1.345 2.969 8.161 1.00 0.00 C ATOM 189 CD GLU A 26 2.070 4.252 8.579 1.00 0.00 C ATOM 190 OE1 GLU A 26 3.260 4.141 8.960 1.00 0.00 O ATOM 191 OE2 GLU A 26 1.479 5.353 8.520 1.00 0.00 O ATOM 0 H GLU A 26 1.958 2.492 4.319 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.287 2.090 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.976 1.598 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.484 3.253 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.270 3.090 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.656 2.143 8.801 1.00 0.00 H new ATOM 198 N GLU A 27 0.437 5.263 5.482 1.00 0.00 N ATOM 199 CA GLU A 27 -0.027 6.633 5.618 1.00 0.00 C ATOM 200 C GLU A 27 -1.136 6.968 4.598 1.00 0.00 C ATOM 201 O GLU A 27 -1.747 8.040 4.666 1.00 0.00 O ATOM 202 CB GLU A 27 1.218 7.521 5.510 1.00 0.00 C ATOM 203 CG GLU A 27 1.025 8.926 6.081 1.00 0.00 C ATOM 204 CD GLU A 27 2.376 9.593 6.312 1.00 0.00 C ATOM 205 OE1 GLU A 27 3.066 9.940 5.332 1.00 0.00 O ATOM 206 OE2 GLU A 27 2.777 9.761 7.488 1.00 0.00 O ATOM 0 H GLU A 27 1.343 5.192 5.018 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.509 6.804 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.044 7.037 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.506 7.601 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.428 9.526 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.473 8.872 7.019 1.00 0.00 H new ATOM 213 N THR A 28 -1.426 6.056 3.663 1.00 0.00 N ATOM 214 CA THR A 28 -2.645 6.034 2.865 1.00 0.00 C ATOM 215 C THR A 28 -3.734 5.278 3.633 1.00 0.00 C ATOM 216 O THR A 28 -4.847 5.782 3.749 1.00 0.00 O ATOM 217 CB THR A 28 -2.370 5.385 1.494 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.465 6.156 0.741 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.638 5.204 0.655 1.00 0.00 C ATOM 0 H THR A 28 -0.793 5.289 3.438 1.00 0.00 H new ATOM 0 HA THR A 28 -2.989 7.052 2.684 1.00 0.00 H new ATOM 0 HB THR A 28 -1.951 4.404 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.555 6.011 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.381 4.743 -0.298 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.340 4.564 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.097 6.176 0.475 1.00 0.00 H new ATOM 227 N PHE A 29 -3.458 4.075 4.148 1.00 0.00 N ATOM 228 CA PHE A 29 -4.436 3.216 4.804 1.00 0.00 C ATOM 229 C PHE A 29 -5.156 3.977 5.917 1.00 0.00 C ATOM 230 O PHE A 29 -6.387 3.940 5.996 1.00 0.00 O ATOM 231 CB PHE A 29 -3.732 1.957 5.339 1.00 0.00 C ATOM 232 CG PHE A 29 -3.693 0.756 4.405 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.513 0.880 3.013 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.855 -0.523 4.958 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.537 -0.265 2.191 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.851 -1.671 4.148 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.697 -1.539 2.759 1.00 0.00 C ATOM 0 H PHE A 29 -2.524 3.666 4.117 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.193 2.906 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.707 2.222 5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.226 1.656 6.263 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.356 1.855 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.985 -0.627 6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.432 -0.162 1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.966 -2.649 4.591 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.702 -2.416 2.128 1.00 0.00 H new ATOM 247 N ALA A 30 -4.405 4.723 6.728 1.00 0.00 N ATOM 248 CA ALA A 30 -4.962 5.479 7.836 1.00 0.00 C ATOM 249 C ALA A 30 -5.993 6.531 7.401 1.00 0.00 C ATOM 250 O ALA A 30 -6.940 6.785 8.144 1.00 0.00 O ATOM 251 CB ALA A 30 -3.816 6.124 8.604 1.00 0.00 C ATOM 0 H ALA A 30 -3.394 4.816 6.630 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.510 4.786 8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.216 6.697 9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.149 5.349 8.981 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.262 6.789 7.941 1.00 0.00 H new ATOM 257 N GLN A 31 -5.869 7.117 6.202 1.00 0.00 N ATOM 258 CA GLN A 31 -6.832 8.082 5.647 1.00 0.00 C ATOM 259 C GLN A 31 -8.191 7.456 5.320 1.00 0.00 C ATOM 260 O GLN A 31 -9.147 8.162 5.001 1.00 0.00 O ATOM 261 CB GLN A 31 -6.258 8.710 4.364 1.00 0.00 C ATOM 262 CG GLN A 31 -5.938 10.190 4.582 1.00 0.00 C ATOM 263 CD GLN A 31 -5.373 10.899 3.359 1.00 0.00 C ATOM 264 OE1 GLN A 31 -6.083 11.560 2.610 1.00 0.00 O ATOM 265 NE2 GLN A 31 -4.071 10.853 3.158 1.00 0.00 N ATOM 0 H GLN A 31 -5.083 6.931 5.579 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.993 8.837 6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.355 8.178 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.974 8.604 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.847 10.703 4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.223 10.278 5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.478 10.304 3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.657 11.367 2.380 1.00 0.00 H new ATOM 274 N PHE A 32 -8.278 6.133 5.364 1.00 0.00 N ATOM 275 CA PHE A 32 -9.470 5.359 5.072 1.00 0.00 C ATOM 276 C PHE A 32 -9.853 4.497 6.273 1.00 0.00 C ATOM 277 O PHE A 32 -10.665 3.582 6.143 1.00 0.00 O ATOM 278 CB PHE A 32 -9.197 4.553 3.805 1.00 0.00 C ATOM 279 CG PHE A 32 -9.141 5.416 2.572 1.00 0.00 C ATOM 280 CD1 PHE A 32 -10.333 5.722 1.894 1.00 0.00 C ATOM 281 CD2 PHE A 32 -7.912 5.927 2.115 1.00 0.00 C ATOM 282 CE1 PHE A 32 -10.299 6.522 0.743 1.00 0.00 C ATOM 283 CE2 PHE A 32 -7.887 6.738 0.976 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.073 7.044 0.289 1.00 0.00 C ATOM 0 H PHE A 32 -7.482 5.547 5.616 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.332 6.002 4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.253 4.020 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.976 3.800 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.275 5.341 2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.997 5.695 2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.211 6.737 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.946 7.133 0.621 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.045 7.678 -0.585 1.00 0.00 H new ATOM 294 N SER A 33 -9.255 4.768 7.441 1.00 0.00 N ATOM 295 CA SER A 33 -9.515 4.028 8.677 1.00 0.00 C ATOM 296 C SER A 33 -9.045 2.566 8.559 1.00 0.00 C ATOM 297 O SER A 33 -9.486 1.697 9.320 1.00 0.00 O ATOM 298 CB SER A 33 -11.020 4.124 9.010 1.00 0.00 C ATOM 299 OG SER A 33 -11.252 4.347 10.388 1.00 0.00 O ATOM 0 H SER A 33 -8.570 5.516 7.552 1.00 0.00 H new ATOM 0 HA SER A 33 -8.945 4.470 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.467 4.934 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.517 3.203 8.705 1.00 0.00 H new ATOM 0 HG SER A 33 -12.216 4.402 10.553 1.00 0.00 H new ATOM 305 N ILE A 34 -8.192 2.257 7.579 1.00 0.00 N ATOM 306 CA ILE A 34 -7.844 0.882 7.278 1.00 0.00 C ATOM 307 C ILE A 34 -6.765 0.503 8.293 1.00 0.00 C ATOM 308 O ILE A 34 -5.792 1.248 8.448 1.00 0.00 O ATOM 309 CB ILE A 34 -7.369 0.721 5.820 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.427 1.222 4.814 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.050 -0.750 5.522 1.00 0.00 C ATOM 312 CD1 ILE A 34 -7.947 1.267 3.356 1.00 0.00 C ATOM 0 H ILE A 34 -7.734 2.947 6.984 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.705 0.219 7.361 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.470 1.327 5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.303 0.576 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.746 2.221 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.716 -0.848 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.262 -1.095 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.945 -1.354 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.753 1.630 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.091 1.937 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.656 0.266 3.038 1.00 0.00 H new ATOM 324 N PRO A 35 -6.901 -0.632 8.992 1.00 0.00 N ATOM 325 CA PRO A 35 -5.810 -1.179 9.761 1.00 0.00 C ATOM 326 C PRO A 35 -4.803 -1.761 8.776 1.00 0.00 C ATOM 327 O PRO A 35 -5.099 -2.692 8.020 1.00 0.00 O ATOM 328 CB PRO A 35 -6.450 -2.212 10.669 1.00 0.00 C ATOM 329 CG PRO A 35 -7.636 -2.736 9.864 1.00 0.00 C ATOM 330 CD PRO A 35 -8.028 -1.550 8.980 1.00 0.00 C ATOM 0 HA PRO A 35 -5.265 -0.459 10.372 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.752 -3.012 10.916 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.773 -1.769 11.611 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.362 -3.606 9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.457 -3.040 10.513 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.248 -1.880 7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.927 -1.065 9.359 1.00 0.00 H new ATOM 338 N TYR A 36 -3.620 -1.169 8.749 1.00 0.00 N ATOM 339 CA TYR A 36 -2.475 -1.675 8.028 1.00 0.00 C ATOM 340 C TYR A 36 -2.063 -3.030 8.619 1.00 0.00 C ATOM 341 O TYR A 36 -2.509 -3.428 9.699 1.00 0.00 O ATOM 342 CB TYR A 36 -1.424 -0.564 8.081 1.00 0.00 C ATOM 343 CG TYR A 36 -0.126 -0.847 7.376 1.00 0.00 C ATOM 344 CD1 TYR A 36 0.020 -0.626 5.989 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.966 -1.258 8.155 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.286 -0.814 5.395 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.217 -1.441 7.566 1.00 0.00 C ATOM 348 CZ TYR A 36 2.381 -1.227 6.184 1.00 0.00 C ATOM 349 OH TYR A 36 3.615 -1.340 5.636 1.00 0.00 O ATOM 0 H TYR A 36 -3.430 -0.298 9.244 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.661 -1.896 6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.858 0.339 7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.206 -0.347 9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.825 -0.318 5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.838 -1.433 9.213 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.417 -0.642 4.337 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.059 -1.747 8.169 1.00 0.00 H new ATOM 0 HH TYR A 36 3.846 -0.506 5.176 1.00 0.00 H new ATOM 359 N ASP A 37 -1.286 -3.788 7.856 1.00 0.00 N ATOM 360 CA ASP A 37 -0.757 -5.093 8.230 1.00 0.00 C ATOM 361 C ASP A 37 0.499 -5.264 7.387 1.00 0.00 C ATOM 362 O ASP A 37 0.394 -5.487 6.181 1.00 0.00 O ATOM 363 CB ASP A 37 -1.768 -6.229 7.962 1.00 0.00 C ATOM 364 CG ASP A 37 -1.398 -7.548 8.648 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.249 -8.027 8.527 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.296 -8.153 9.283 1.00 0.00 O ATOM 0 H ASP A 37 -0.996 -3.499 6.922 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.548 -5.145 9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.755 -5.915 8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.840 -6.395 6.887 1.00 0.00 H new ATOM 371 N LYS A 38 1.681 -5.035 7.967 1.00 0.00 N ATOM 372 CA LYS A 38 2.935 -4.941 7.215 1.00 0.00 C ATOM 373 C LYS A 38 3.148 -6.180 6.365 1.00 0.00 C ATOM 374 O LYS A 38 3.462 -6.049 5.188 1.00 0.00 O ATOM 375 CB LYS A 38 4.099 -4.707 8.178 1.00 0.00 C ATOM 376 CG LYS A 38 5.447 -4.492 7.468 1.00 0.00 C ATOM 377 CD LYS A 38 6.292 -3.498 8.277 1.00 0.00 C ATOM 378 CE LYS A 38 5.903 -2.075 7.845 1.00 0.00 C ATOM 379 NZ LYS A 38 6.274 -1.003 8.795 1.00 0.00 N ATOM 0 H LYS A 38 1.795 -4.909 8.973 1.00 0.00 H new ATOM 0 HA LYS A 38 2.881 -4.091 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.880 -3.836 8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.183 -5.562 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.975 -5.441 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.284 -4.112 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.118 -3.632 9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.354 -3.671 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.371 -1.864 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.825 -2.042 7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.971 -0.083 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.807 -1.172 9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.305 -0.999 8.929 1.00 0.00 H new ATOM 393 N GLU A 39 2.922 -7.370 6.923 1.00 0.00 N ATOM 394 CA GLU A 39 2.947 -8.636 6.186 1.00 0.00 C ATOM 395 C GLU A 39 2.142 -8.518 4.884 1.00 0.00 C ATOM 396 O GLU A 39 2.669 -8.741 3.792 1.00 0.00 O ATOM 397 CB GLU A 39 2.386 -9.791 7.031 1.00 0.00 C ATOM 398 CG GLU A 39 3.092 -10.013 8.376 1.00 0.00 C ATOM 399 CD GLU A 39 2.565 -11.250 9.118 1.00 0.00 C ATOM 400 OE1 GLU A 39 1.479 -11.781 8.782 1.00 0.00 O ATOM 401 OE2 GLU A 39 3.249 -11.699 10.067 1.00 0.00 O ATOM 0 H GLU A 39 2.713 -7.484 7.915 1.00 0.00 H new ATOM 0 HA GLU A 39 3.989 -8.854 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.329 -9.603 7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.448 -10.711 6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.163 -10.123 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.957 -9.132 9.003 1.00 0.00 H new ATOM 408 N LYS A 40 0.870 -8.111 4.973 1.00 0.00 N ATOM 409 CA LYS A 40 -0.034 -8.016 3.826 1.00 0.00 C ATOM 410 C LYS A 40 0.243 -6.841 2.899 1.00 0.00 C ATOM 411 O LYS A 40 -0.594 -6.507 2.060 1.00 0.00 O ATOM 412 CB LYS A 40 -1.491 -7.908 4.267 1.00 0.00 C ATOM 413 CG LYS A 40 -1.894 -8.849 5.395 1.00 0.00 C ATOM 414 CD LYS A 40 -3.268 -9.454 5.140 1.00 0.00 C ATOM 415 CE LYS A 40 -4.013 -9.577 6.461 1.00 0.00 C ATOM 416 NZ LYS A 40 -5.383 -10.081 6.242 1.00 0.00 N ATOM 0 H LYS A 40 0.437 -7.836 5.855 1.00 0.00 H new ATOM 0 HA LYS A 40 0.150 -8.939 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.684 -6.883 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.131 -8.102 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.155 -9.645 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.902 -8.306 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.831 -8.828 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.166 -10.434 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.474 -10.251 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.052 -8.606 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.875 -10.158 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.900 -9.423 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.341 -11.018 5.792 1.00 0.00 H new ATOM 430 N VAL A 41 1.391 -6.211 3.031 1.00 0.00 N ATOM 431 CA VAL A 41 1.860 -5.163 2.144 1.00 0.00 C ATOM 432 C VAL A 41 3.232 -5.589 1.605 1.00 0.00 C ATOM 433 O VAL A 41 3.445 -5.600 0.391 1.00 0.00 O ATOM 434 CB VAL A 41 1.791 -3.823 2.911 1.00 0.00 C ATOM 435 CG1 VAL A 41 2.354 -2.669 2.089 1.00 0.00 C ATOM 436 CG2 VAL A 41 0.328 -3.487 3.263 1.00 0.00 C ATOM 0 H VAL A 41 2.047 -6.420 3.784 1.00 0.00 H new ATOM 0 HA VAL A 41 1.244 -5.007 1.258 1.00 0.00 H new ATOM 0 HB VAL A 41 2.389 -3.944 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.287 -1.746 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.397 -2.870 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.781 -2.565 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.292 -2.541 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.257 -3.404 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.087 -4.278 3.888 1.00 0.00 H new ATOM 446 N ARG A 42 4.122 -6.032 2.492 1.00 0.00 N ATOM 447 CA ARG A 42 5.455 -6.551 2.255 1.00 0.00 C ATOM 448 C ARG A 42 5.439 -7.819 1.416 1.00 0.00 C ATOM 449 O ARG A 42 6.097 -7.858 0.380 1.00 0.00 O ATOM 450 CB ARG A 42 6.045 -6.830 3.645 1.00 0.00 C ATOM 451 CG ARG A 42 7.462 -7.379 3.647 1.00 0.00 C ATOM 452 CD ARG A 42 7.646 -8.225 4.912 1.00 0.00 C ATOM 453 NE ARG A 42 9.020 -8.142 5.389 1.00 0.00 N ATOM 454 CZ ARG A 42 10.103 -8.571 4.750 1.00 0.00 C ATOM 455 NH1 ARG A 42 10.052 -9.471 3.777 1.00 0.00 N ATOM 456 NH2 ARG A 42 11.250 -8.017 5.076 1.00 0.00 N ATOM 0 H ARG A 42 3.900 -6.034 3.487 1.00 0.00 H new ATOM 0 HA ARG A 42 6.051 -5.833 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.030 -5.905 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.397 -7.538 4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.637 -7.983 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.185 -6.564 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.964 -7.880 5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.390 -9.264 4.702 1.00 0.00 H new ATOM 0 HE ARG A 42 9.165 -7.713 6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.155 -9.863 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.910 -9.771 3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.281 -7.291 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.109 -8.313 4.613 1.00 0.00 H new ATOM 470 N GLU A 43 4.738 -8.854 1.875 1.00 0.00 N ATOM 471 CA GLU A 43 4.701 -10.165 1.231 1.00 0.00 C ATOM 472 C GLU A 43 3.714 -10.106 0.067 1.00 0.00 C ATOM 473 O GLU A 43 3.894 -10.768 -0.954 1.00 0.00 O ATOM 474 CB GLU A 43 4.221 -11.186 2.284 1.00 0.00 C ATOM 475 CG GLU A 43 4.621 -12.635 1.987 1.00 0.00 C ATOM 476 CD GLU A 43 5.990 -12.964 2.581 1.00 0.00 C ATOM 477 OE1 GLU A 43 6.072 -13.409 3.753 1.00 0.00 O ATOM 478 OE2 GLU A 43 7.005 -12.754 1.886 1.00 0.00 O ATOM 0 H GLU A 43 4.170 -8.804 2.720 1.00 0.00 H new ATOM 0 HA GLU A 43 5.681 -10.454 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.623 -10.903 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.135 -11.129 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.872 -13.313 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.641 -12.796 0.909 1.00 0.00 H new ATOM 485 N PHE A 44 2.663 -9.297 0.230 1.00 0.00 N ATOM 486 CA PHE A 44 1.530 -9.228 -0.668 1.00 0.00 C ATOM 487 C PHE A 44 1.950 -8.809 -2.070 1.00 0.00 C ATOM 488 O PHE A 44 1.575 -9.471 -3.027 1.00 0.00 O ATOM 489 CB PHE A 44 0.490 -8.282 -0.080 1.00 0.00 C ATOM 490 CG PHE A 44 -0.835 -8.304 -0.804 1.00 0.00 C ATOM 491 CD1 PHE A 44 -0.934 -7.769 -2.101 1.00 0.00 C ATOM 492 CD2 PHE A 44 -1.950 -8.926 -0.209 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.129 -7.921 -2.816 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.156 -9.042 -0.920 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.240 -8.556 -2.234 1.00 0.00 C ATOM 0 H PHE A 44 2.585 -8.656 1.019 1.00 0.00 H new ATOM 0 HA PHE A 44 1.090 -10.220 -0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.326 -8.542 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.886 -7.266 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.097 -7.246 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.878 -9.315 0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.198 -7.546 -3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.016 -9.504 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.155 -8.669 -2.796 1.00 0.00 H new ATOM 505 N ILE A 45 2.701 -7.722 -2.231 1.00 0.00 N ATOM 506 CA ILE A 45 3.183 -7.293 -3.554 1.00 0.00 C ATOM 507 C ILE A 45 3.868 -8.434 -4.310 1.00 0.00 C ATOM 508 O ILE A 45 3.490 -8.745 -5.441 1.00 0.00 O ATOM 509 CB ILE A 45 4.086 -6.050 -3.429 1.00 0.00 C ATOM 510 CG1 ILE A 45 5.305 -6.270 -2.499 1.00 0.00 C ATOM 511 CG2 ILE A 45 3.161 -4.906 -3.016 1.00 0.00 C ATOM 512 CD1 ILE A 45 6.037 -5.018 -2.024 1.00 0.00 C ATOM 0 H ILE A 45 2.993 -7.117 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 45 2.316 -7.010 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 45 4.571 -5.811 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.969 -6.822 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.021 -6.906 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.741 -3.989 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.395 -4.764 -3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.686 -5.147 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.869 -5.305 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.417 -4.470 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.349 -4.384 -1.465 1.00 0.00 H new ATOM 524 N PHE A 46 4.805 -9.099 -3.639 1.00 0.00 N ATOM 525 CA PHE A 46 5.564 -10.235 -4.126 1.00 0.00 C ATOM 526 C PHE A 46 4.665 -11.434 -4.461 1.00 0.00 C ATOM 527 O PHE A 46 5.012 -12.264 -5.300 1.00 0.00 O ATOM 528 CB PHE A 46 6.570 -10.585 -3.021 1.00 0.00 C ATOM 529 CG PHE A 46 7.896 -9.860 -3.130 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.874 -10.310 -4.036 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.164 -8.746 -2.312 1.00 0.00 C ATOM 532 CE1 PHE A 46 10.116 -9.656 -4.113 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.404 -8.092 -2.389 1.00 0.00 C ATOM 534 CZ PHE A 46 10.381 -8.548 -3.290 1.00 0.00 C ATOM 0 H PHE A 46 5.066 -8.840 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 46 6.069 -9.984 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.123 -10.356 -2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.754 -11.659 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.670 -11.158 -4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.412 -8.393 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.868 -10.005 -4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.606 -7.240 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.336 -8.047 -3.350 1.00 0.00 H new ATOM 544 N LYS A 47 3.523 -11.566 -3.786 1.00 0.00 N ATOM 545 CA LYS A 47 2.534 -12.620 -4.000 1.00 0.00 C ATOM 546 C LYS A 47 1.559 -12.269 -5.124 1.00 0.00 C ATOM 547 O LYS A 47 1.133 -13.176 -5.841 1.00 0.00 O ATOM 548 CB LYS A 47 1.761 -12.826 -2.691 1.00 0.00 C ATOM 549 CG LYS A 47 2.501 -13.703 -1.680 1.00 0.00 C ATOM 550 CD LYS A 47 1.803 -13.761 -0.312 1.00 0.00 C ATOM 551 CE LYS A 47 0.731 -14.850 -0.220 1.00 0.00 C ATOM 552 NZ LYS A 47 1.326 -16.200 -0.286 1.00 0.00 N ATOM 0 H LYS A 47 3.252 -10.917 -3.047 1.00 0.00 H new ATOM 0 HA LYS A 47 3.053 -13.532 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.560 -11.854 -2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.795 -13.279 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.590 -14.713 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.514 -13.322 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.551 -13.932 0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.346 -12.793 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.178 -14.740 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.014 -14.727 -1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.645 -16.898 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.562 -16.427 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.190 -16.227 0.292 1.00 0.00 H new ATOM 566 N TYR A 48 1.156 -11.002 -5.268 1.00 0.00 N ATOM 567 CA TYR A 48 0.072 -10.618 -6.162 1.00 0.00 C ATOM 568 C TYR A 48 0.481 -9.378 -6.976 1.00 0.00 C ATOM 569 O TYR A 48 1.133 -9.586 -7.999 1.00 0.00 O ATOM 570 CB TYR A 48 -1.239 -10.454 -5.360 1.00 0.00 C ATOM 571 CG TYR A 48 -1.532 -11.526 -4.310 1.00 0.00 C ATOM 572 CD1 TYR A 48 -2.142 -12.750 -4.652 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.202 -11.284 -2.963 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.449 -13.694 -3.649 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.510 -12.213 -1.957 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.164 -13.414 -2.290 1.00 0.00 C ATOM 577 OH TYR A 48 -2.459 -14.297 -1.294 1.00 0.00 O ATOM 0 H TYR A 48 1.575 -10.219 -4.766 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.124 -11.403 -6.893 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.216 -9.485 -4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.070 -10.430 -6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.375 -12.966 -5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.701 -10.364 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.904 -14.636 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.246 -12.007 -0.930 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.185 -13.921 -0.432 1.00 0.00 H new ATOM 587 N SER A 49 0.266 -8.144 -6.487 1.00 0.00 N ATOM 588 CA SER A 49 0.554 -6.839 -7.101 1.00 0.00 C ATOM 589 C SER A 49 0.122 -5.731 -6.120 1.00 0.00 C ATOM 590 O SER A 49 -0.455 -6.015 -5.063 1.00 0.00 O ATOM 591 CB SER A 49 -0.215 -6.662 -8.427 1.00 0.00 C ATOM 592 OG SER A 49 0.410 -7.290 -9.528 1.00 0.00 O ATOM 0 H SER A 49 -0.153 -8.026 -5.565 1.00 0.00 H new ATOM 0 HA SER A 49 1.621 -6.780 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.221 -7.066 -8.311 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.321 -5.598 -8.638 1.00 0.00 H new ATOM 0 HG SER A 49 0.769 -8.158 -9.249 1.00 0.00 H new ATOM 598 N VAL A 50 0.373 -4.459 -6.452 1.00 0.00 N ATOM 599 CA VAL A 50 -0.104 -3.303 -5.686 1.00 0.00 C ATOM 600 C VAL A 50 -1.612 -3.109 -5.900 1.00 0.00 C ATOM 601 O VAL A 50 -2.361 -3.060 -4.926 1.00 0.00 O ATOM 602 CB VAL A 50 0.742 -2.056 -6.015 1.00 0.00 C ATOM 603 CG1 VAL A 50 0.260 -0.792 -5.287 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.206 -2.300 -5.620 1.00 0.00 C ATOM 0 H VAL A 50 0.921 -4.201 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 50 0.028 -3.482 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 50 0.639 -1.892 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.896 0.050 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.770 -0.577 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.311 -0.951 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.798 -1.416 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.265 -2.503 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.595 -3.155 -6.174 1.00 0.00 H new ATOM 614 N GLN A 51 -2.083 -3.066 -7.149 1.00 0.00 N ATOM 615 CA GLN A 51 -3.500 -2.912 -7.487 1.00 0.00 C ATOM 616 C GLN A 51 -4.345 -4.010 -6.846 1.00 0.00 C ATOM 617 O GLN A 51 -5.444 -3.739 -6.372 1.00 0.00 O ATOM 618 CB GLN A 51 -3.622 -2.835 -9.014 1.00 0.00 C ATOM 619 CG GLN A 51 -5.053 -2.832 -9.569 1.00 0.00 C ATOM 620 CD GLN A 51 -5.450 -4.230 -10.020 1.00 0.00 C ATOM 621 OE1 GLN A 51 -6.125 -4.983 -9.173 1.00 0.00 O flip ATOM 622 NE2 GLN A 51 -5.103 -4.652 -11.122 1.00 0.00 N flip ATOM 0 H GLN A 51 -1.479 -3.139 -7.968 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.900 -1.986 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.118 -1.931 -9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.086 -3.680 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.745 -2.479 -8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.123 -2.139 -10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.582 -4.049 -11.758 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.337 -5.605 -11.400 1.00 0.00 H new ATOM 631 N ASP A 52 -3.817 -5.229 -6.786 1.00 0.00 N ATOM 632 CA ASP A 52 -4.472 -6.363 -6.140 1.00 0.00 C ATOM 633 C ASP A 52 -4.785 -6.065 -4.678 1.00 0.00 C ATOM 634 O ASP A 52 -5.901 -6.305 -4.227 1.00 0.00 O ATOM 635 CB ASP A 52 -3.572 -7.603 -6.227 1.00 0.00 C ATOM 636 CG ASP A 52 -3.990 -8.502 -7.375 1.00 0.00 C ATOM 637 OD1 ASP A 52 -3.596 -8.215 -8.517 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.710 -9.491 -7.103 1.00 0.00 O ATOM 0 H ASP A 52 -2.910 -5.461 -7.190 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.411 -6.549 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.535 -7.295 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.621 -8.158 -5.290 1.00 0.00 H new ATOM 643 N LEU A 53 -3.821 -5.520 -3.927 1.00 0.00 N ATOM 644 CA LEU A 53 -4.013 -5.171 -2.522 1.00 0.00 C ATOM 645 C LEU A 53 -5.170 -4.215 -2.386 1.00 0.00 C ATOM 646 O LEU A 53 -6.044 -4.454 -1.554 1.00 0.00 O ATOM 647 CB LEU A 53 -2.742 -4.539 -1.949 1.00 0.00 C ATOM 648 CG LEU A 53 -2.857 -3.906 -0.552 1.00 0.00 C ATOM 649 CD1 LEU A 53 -3.034 -5.024 0.466 1.00 0.00 C ATOM 650 CD2 LEU A 53 -1.588 -3.112 -0.227 1.00 0.00 C ATOM 0 H LEU A 53 -2.887 -5.310 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.231 -6.080 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.967 -5.305 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.400 -3.772 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.709 -3.227 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.118 -4.596 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.939 -5.587 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.173 -5.691 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.680 -2.668 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.726 -3.779 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.453 -2.323 -0.967 1.00 0.00 H new ATOM 662 N LEU A 54 -5.125 -3.141 -3.177 1.00 0.00 N ATOM 663 CA LEU A 54 -6.129 -2.099 -3.151 1.00 0.00 C ATOM 664 C LEU A 54 -7.499 -2.693 -3.441 1.00 0.00 C ATOM 665 O LEU A 54 -8.440 -2.359 -2.731 1.00 0.00 O ATOM 666 CB LEU A 54 -5.790 -0.977 -4.137 1.00 0.00 C ATOM 667 CG LEU A 54 -4.508 -0.194 -3.807 1.00 0.00 C ATOM 668 CD1 LEU A 54 -4.291 0.915 -4.838 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.574 0.410 -2.399 1.00 0.00 C ATOM 0 H LEU A 54 -4.381 -2.978 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.146 -1.657 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.690 -1.406 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.626 -0.279 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.670 -0.890 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.381 1.464 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.196 0.475 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.141 1.597 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.654 0.957 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.423 1.090 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.692 -0.388 -1.666 1.00 0.00 H new ATOM 681 N VAL A 55 -7.607 -3.596 -4.417 1.00 0.00 N ATOM 682 CA VAL A 55 -8.837 -4.323 -4.690 1.00 0.00 C ATOM 683 C VAL A 55 -9.291 -5.099 -3.449 1.00 0.00 C ATOM 684 O VAL A 55 -10.409 -4.876 -2.983 1.00 0.00 O ATOM 685 CB VAL A 55 -8.689 -5.181 -5.962 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.816 -6.212 -6.078 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.721 -4.264 -7.194 1.00 0.00 C ATOM 0 H VAL A 55 -6.838 -3.841 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.642 -3.620 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.741 -5.715 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.680 -6.799 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.795 -6.873 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.776 -5.698 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.617 -4.865 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.669 -3.727 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.900 -3.549 -7.137 1.00 0.00 H new ATOM 697 N ARG A 56 -8.448 -5.976 -2.881 1.00 0.00 N ATOM 698 CA ARG A 56 -8.829 -6.807 -1.730 1.00 0.00 C ATOM 699 C ARG A 56 -9.413 -5.956 -0.619 1.00 0.00 C ATOM 700 O ARG A 56 -10.483 -6.278 -0.101 1.00 0.00 O ATOM 701 CB ARG A 56 -7.649 -7.628 -1.163 1.00 0.00 C ATOM 702 CG ARG A 56 -7.029 -8.683 -2.086 1.00 0.00 C ATOM 703 CD ARG A 56 -8.052 -9.478 -2.893 1.00 0.00 C ATOM 704 NE ARG A 56 -8.962 -10.267 -2.040 1.00 0.00 N ATOM 705 CZ ARG A 56 -10.101 -10.852 -2.429 1.00 0.00 C ATOM 706 NH1 ARG A 56 -10.535 -10.754 -3.680 1.00 0.00 N ATOM 707 NH2 ARG A 56 -10.833 -11.510 -1.541 1.00 0.00 N ATOM 0 H ARG A 56 -7.492 -6.128 -3.204 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.578 -7.506 -2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.863 -6.933 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.989 -8.129 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.342 -8.191 -2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.438 -9.375 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.638 -8.792 -3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.529 -10.148 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.698 -10.377 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.997 -10.225 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.406 -11.208 -3.955 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.527 -11.567 -0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.703 -11.959 -1.829 1.00 0.00 H new ATOM 721 N VAL A 57 -8.667 -4.932 -0.211 1.00 0.00 N ATOM 722 CA VAL A 57 -9.051 -4.101 0.923 1.00 0.00 C ATOM 723 C VAL A 57 -10.259 -3.238 0.602 1.00 0.00 C ATOM 724 O VAL A 57 -11.123 -3.093 1.458 1.00 0.00 O ATOM 725 CB VAL A 57 -7.862 -3.286 1.446 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.230 -2.257 0.505 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.229 -2.562 2.744 1.00 0.00 C ATOM 0 H VAL A 57 -7.789 -4.658 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.356 -4.763 1.734 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.104 -4.058 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.403 -1.760 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.859 -2.760 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.978 -1.517 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.371 -1.990 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.064 -1.886 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.514 -3.293 3.501 1.00 0.00 H new ATOM 737 N ALA A 58 -10.328 -2.671 -0.598 1.00 0.00 N ATOM 738 CA ALA A 58 -11.455 -1.846 -1.003 1.00 0.00 C ATOM 739 C ALA A 58 -12.755 -2.626 -0.911 1.00 0.00 C ATOM 740 O ALA A 58 -13.688 -2.162 -0.262 1.00 0.00 O ATOM 741 CB ALA A 58 -11.277 -1.329 -2.427 1.00 0.00 C ATOM 0 H ALA A 58 -9.607 -2.771 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.496 -0.996 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.135 -0.716 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.369 -0.729 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.200 -2.172 -3.113 1.00 0.00 H new ATOM 747 N GLU A 59 -12.798 -3.803 -1.531 1.00 0.00 N ATOM 748 CA GLU A 59 -13.991 -4.630 -1.594 1.00 0.00 C ATOM 749 C GLU A 59 -14.388 -5.107 -0.183 1.00 0.00 C ATOM 750 O GLU A 59 -15.572 -5.259 0.109 1.00 0.00 O ATOM 751 CB GLU A 59 -13.704 -5.763 -2.592 1.00 0.00 C ATOM 752 CG GLU A 59 -14.900 -6.640 -2.976 1.00 0.00 C ATOM 753 CD GLU A 59 -16.074 -5.845 -3.555 1.00 0.00 C ATOM 754 OE1 GLU A 59 -16.048 -5.448 -4.743 1.00 0.00 O ATOM 755 OE2 GLU A 59 -17.071 -5.636 -2.832 1.00 0.00 O ATOM 0 H GLU A 59 -11.994 -4.210 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.860 -4.077 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.294 -5.324 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.930 -6.404 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.578 -7.382 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.239 -7.186 -2.095 1.00 0.00 H new ATOM 762 N ASP A 60 -13.415 -5.263 0.724 1.00 0.00 N ATOM 763 CA ASP A 60 -13.645 -5.519 2.149 1.00 0.00 C ATOM 764 C ASP A 60 -14.310 -4.300 2.805 1.00 0.00 C ATOM 765 O ASP A 60 -15.359 -4.410 3.437 1.00 0.00 O ATOM 766 CB ASP A 60 -12.307 -5.838 2.844 1.00 0.00 C ATOM 767 CG ASP A 60 -12.450 -6.675 4.116 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.339 -6.412 4.953 1.00 0.00 O ATOM 769 OD2 ASP A 60 -11.583 -7.562 4.318 1.00 0.00 O ATOM 0 H ASP A 60 -12.426 -5.213 0.481 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.311 -6.375 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.663 -6.369 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.806 -4.902 3.092 1.00 0.00 H new ATOM 774 N ARG A 61 -13.697 -3.124 2.637 1.00 0.00 N ATOM 775 CA ARG A 61 -13.998 -1.865 3.320 1.00 0.00 C ATOM 776 C ARG A 61 -15.124 -1.064 2.664 1.00 0.00 C ATOM 777 O ARG A 61 -15.403 0.039 3.125 1.00 0.00 O ATOM 778 CB ARG A 61 -12.711 -1.015 3.378 1.00 0.00 C ATOM 779 CG ARG A 61 -11.624 -1.592 4.292 1.00 0.00 C ATOM 780 CD ARG A 61 -11.896 -1.231 5.752 1.00 0.00 C ATOM 781 NE ARG A 61 -11.125 -2.082 6.666 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.315 -2.132 7.985 1.00 0.00 C ATOM 783 NH1 ARG A 61 -12.030 -1.203 8.606 1.00 0.00 N ATOM 784 NH2 ARG A 61 -10.767 -3.123 8.672 1.00 0.00 N ATOM 0 H ARG A 61 -12.927 -3.021 1.976 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.352 -2.115 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.308 -0.915 2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.965 -0.012 3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.587 -2.676 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.649 -1.207 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.641 -0.185 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.960 -1.338 5.963 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.397 -2.674 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.443 -0.437 8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.167 -1.255 9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.211 -3.830 8.191 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.901 -3.179 9.682 1.00 0.00 H new ATOM 798 N ASN A 62 -15.753 -1.571 1.602 1.00 0.00 N ATOM 799 CA ASN A 62 -16.782 -0.886 0.818 1.00 0.00 C ATOM 800 C ASN A 62 -16.252 0.341 0.062 1.00 0.00 C ATOM 801 O ASN A 62 -17.038 1.219 -0.307 1.00 0.00 O ATOM 802 CB ASN A 62 -17.994 -0.535 1.704 1.00 0.00 C ATOM 803 CG ASN A 62 -19.303 -0.786 0.980 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.540 -1.888 0.496 1.00 0.00 O ATOM 805 ND2 ASN A 62 -20.192 0.179 0.870 1.00 0.00 N ATOM 0 H ASN A 62 -15.551 -2.507 1.251 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.109 -1.583 0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.962 -1.129 2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.937 0.512 2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -21.073 0.008 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -20.000 1.097 1.271 1.00 0.00 H new ATOM 812 N LEU A 63 -14.936 0.446 -0.132 1.00 0.00 N ATOM 813 CA LEU A 63 -14.240 1.542 -0.822 1.00 0.00 C ATOM 814 C LEU A 63 -14.194 1.242 -2.326 1.00 0.00 C ATOM 815 O LEU A 63 -14.965 0.413 -2.807 1.00 0.00 O ATOM 816 CB LEU A 63 -12.849 1.776 -0.190 1.00 0.00 C ATOM 817 CG LEU A 63 -12.881 1.989 1.338 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.457 2.012 1.912 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.608 3.284 1.720 1.00 0.00 C ATOM 0 H LEU A 63 -14.290 -0.268 0.205 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.782 2.480 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.211 0.921 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.390 2.647 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.432 1.151 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.502 2.163 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.963 1.064 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.893 2.825 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.608 3.395 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.098 4.135 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.636 3.244 1.360 1.00 0.00 H new ATOM 831 N ASP A 64 -13.335 1.934 -3.080 1.00 0.00 N ATOM 832 CA ASP A 64 -13.115 1.686 -4.513 1.00 0.00 C ATOM 833 C ASP A 64 -11.636 1.903 -4.741 1.00 0.00 C ATOM 834 O ASP A 64 -11.172 2.972 -4.335 1.00 0.00 O ATOM 835 CB ASP A 64 -13.853 2.694 -5.413 1.00 0.00 C ATOM 836 CG ASP A 64 -13.901 2.245 -6.873 1.00 0.00 C ATOM 837 OD1 ASP A 64 -12.869 1.749 -7.377 1.00 0.00 O ATOM 838 OD2 ASP A 64 -14.953 2.400 -7.533 1.00 0.00 O ATOM 0 H ASP A 64 -12.764 2.693 -2.710 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.476 0.687 -4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.870 2.830 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.359 3.663 -5.350 1.00 0.00 H new ATOM 843 N VAL A 65 -10.913 0.950 -5.349 1.00 0.00 N ATOM 844 CA VAL A 65 -9.474 1.023 -5.641 1.00 0.00 C ATOM 845 C VAL A 65 -9.114 2.368 -6.267 1.00 0.00 C ATOM 846 O VAL A 65 -8.057 2.918 -5.965 1.00 0.00 O ATOM 847 CB VAL A 65 -9.033 -0.174 -6.512 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.873 -0.319 -7.777 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.564 -0.110 -6.962 1.00 0.00 C ATOM 0 H VAL A 65 -11.331 0.074 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.921 0.955 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.174 -1.029 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.520 -1.175 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.918 -0.470 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.782 0.585 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.331 -0.985 -7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.403 0.793 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.916 -0.093 -6.086 1.00 0.00 H new ATOM 859 N GLU A 66 -10.008 2.925 -7.083 1.00 0.00 N ATOM 860 CA GLU A 66 -9.828 4.196 -7.755 1.00 0.00 C ATOM 861 C GLU A 66 -9.598 5.325 -6.751 1.00 0.00 C ATOM 862 O GLU A 66 -8.764 6.203 -6.999 1.00 0.00 O ATOM 863 CB GLU A 66 -11.064 4.462 -8.617 1.00 0.00 C ATOM 864 CG GLU A 66 -11.277 3.380 -9.687 1.00 0.00 C ATOM 865 CD GLU A 66 -10.221 3.343 -10.798 1.00 0.00 C ATOM 866 OE1 GLU A 66 -9.350 4.245 -10.853 1.00 0.00 O ATOM 867 OE2 GLU A 66 -10.219 2.376 -11.589 1.00 0.00 O ATOM 0 H GLU A 66 -10.903 2.484 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.941 4.156 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.945 4.515 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.963 5.433 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.300 2.407 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.256 3.530 -10.143 1.00 0.00 H new ATOM 874 N VAL A 67 -10.299 5.313 -5.614 1.00 0.00 N ATOM 875 CA VAL A 67 -10.091 6.331 -4.592 1.00 0.00 C ATOM 876 C VAL A 67 -8.774 6.076 -3.826 1.00 0.00 C ATOM 877 O VAL A 67 -8.005 7.016 -3.627 1.00 0.00 O ATOM 878 CB VAL A 67 -11.349 6.486 -3.719 1.00 0.00 C ATOM 879 CG1 VAL A 67 -11.278 7.769 -2.881 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.603 6.582 -4.610 1.00 0.00 C ATOM 0 H VAL A 67 -11.007 4.616 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.953 7.308 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.404 5.615 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.178 7.856 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.403 7.732 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.202 8.632 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.488 6.691 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.516 7.446 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.693 5.676 -5.210 1.00 0.00 H new ATOM 890 N LEU A 68 -8.421 4.844 -3.435 1.00 0.00 N ATOM 891 CA LEU A 68 -7.151 4.565 -2.804 1.00 0.00 C ATOM 892 C LEU A 68 -5.960 4.889 -3.675 1.00 0.00 C ATOM 893 O LEU A 68 -4.949 5.332 -3.143 1.00 0.00 O ATOM 894 CB LEU A 68 -7.124 3.098 -2.469 1.00 0.00 C ATOM 895 CG LEU A 68 -8.294 2.736 -1.557 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.840 3.783 -0.589 1.00 0.00 C ATOM 897 CD2 LEU A 68 -9.328 1.868 -2.211 1.00 0.00 C ATOM 0 H LEU A 68 -9.015 4.024 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.070 5.199 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.173 2.509 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.183 2.848 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.782 2.108 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.667 3.357 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.050 4.092 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.193 4.648 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.126 1.654 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.742 2.385 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.868 0.933 -2.532 1.00 0.00 H new ATOM 909 N ASN A 69 -6.068 4.648 -4.981 1.00 0.00 N ATOM 910 CA ASN A 69 -5.041 4.982 -5.956 1.00 0.00 C ATOM 911 C ASN A 69 -4.663 6.442 -5.801 1.00 0.00 C ATOM 912 O ASN A 69 -3.481 6.747 -5.715 1.00 0.00 O ATOM 913 CB ASN A 69 -5.538 4.729 -7.384 1.00 0.00 C ATOM 914 CG ASN A 69 -5.311 3.306 -7.865 1.00 0.00 C ATOM 915 OD1 ASN A 69 -4.286 2.689 -7.594 1.00 0.00 O ATOM 916 ND2 ASN A 69 -6.254 2.790 -8.625 1.00 0.00 N ATOM 0 H ASN A 69 -6.889 4.207 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.172 4.349 -5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.603 4.955 -7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.034 5.417 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.144 1.851 -9.007 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.095 3.329 -8.832 1.00 0.00 H new ATOM 923 N GLN A 70 -5.661 7.324 -5.720 1.00 0.00 N ATOM 924 CA GLN A 70 -5.447 8.767 -5.602 1.00 0.00 C ATOM 925 C GLN A 70 -4.658 9.155 -4.333 1.00 0.00 C ATOM 926 O GLN A 70 -3.628 9.823 -4.434 1.00 0.00 O ATOM 927 CB GLN A 70 -6.799 9.473 -5.737 1.00 0.00 C ATOM 928 CG GLN A 70 -7.214 9.616 -7.210 1.00 0.00 C ATOM 929 CD GLN A 70 -8.694 9.961 -7.370 1.00 0.00 C ATOM 930 OE1 GLN A 70 -9.080 11.081 -7.710 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.578 8.995 -7.173 1.00 0.00 N ATOM 0 H GLN A 70 -6.645 7.056 -5.735 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.803 9.107 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.560 8.911 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.744 10.459 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.610 10.392 -7.680 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.002 8.685 -7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.264 8.066 -6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.573 9.180 -7.303 1.00 0.00 H new ATOM 940 N VAL A 71 -5.033 8.695 -3.134 1.00 0.00 N ATOM 941 CA VAL A 71 -4.214 8.952 -1.936 1.00 0.00 C ATOM 942 C VAL A 71 -2.846 8.245 -2.050 1.00 0.00 C ATOM 943 O VAL A 71 -1.812 8.807 -1.679 1.00 0.00 O ATOM 944 CB VAL A 71 -4.995 8.571 -0.664 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.202 8.875 0.617 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.309 9.358 -0.569 1.00 0.00 C ATOM 0 H VAL A 71 -5.880 8.153 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.000 10.018 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.181 7.500 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.793 8.590 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.270 8.310 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.980 9.941 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.841 9.070 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.092 10.426 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.929 9.138 -1.438 1.00 0.00 H new ATOM 956 N ARG A 72 -2.789 7.043 -2.627 1.00 0.00 N ATOM 957 CA ARG A 72 -1.532 6.342 -2.879 1.00 0.00 C ATOM 958 C ARG A 72 -0.732 6.989 -4.025 1.00 0.00 C ATOM 959 O ARG A 72 0.397 6.560 -4.295 1.00 0.00 O ATOM 960 CB ARG A 72 -1.824 4.857 -3.132 1.00 0.00 C ATOM 961 CG ARG A 72 -0.593 3.971 -2.873 1.00 0.00 C ATOM 962 CD ARG A 72 -0.411 2.959 -4.007 1.00 0.00 C ATOM 963 NE ARG A 72 0.961 2.426 -4.061 1.00 0.00 N ATOM 964 CZ ARG A 72 1.997 3.037 -4.655 1.00 0.00 C ATOM 965 NH1 ARG A 72 1.889 4.281 -5.107 1.00 0.00 N ATOM 966 NH2 ARG A 72 3.150 2.405 -4.815 1.00 0.00 N ATOM 0 H ARG A 72 -3.615 6.529 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.896 6.423 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.643 4.535 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.155 4.724 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.298 4.593 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.709 3.446 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.114 2.136 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.652 3.434 -4.958 1.00 0.00 H new ATOM 0 HE ARG A 72 1.136 1.526 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.009 4.786 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.686 4.731 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.256 1.446 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.932 2.878 -5.268 1.00 0.00 H new ATOM 980 N ALA A 73 -1.258 8.006 -4.712 1.00 0.00 N ATOM 981 CA ALA A 73 -0.533 8.761 -5.723 1.00 0.00 C ATOM 982 C ALA A 73 0.291 9.866 -5.068 1.00 0.00 C ATOM 983 O ALA A 73 1.319 10.253 -5.619 1.00 0.00 O ATOM 984 CB ALA A 73 -1.487 9.361 -6.758 1.00 0.00 C ATOM 0 H ALA A 73 -2.216 8.329 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 73 0.137 8.073 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.915 9.919 -7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.038 8.561 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.188 10.031 -6.261 1.00 0.00 H new ATOM 990 N GLN A 74 -0.099 10.334 -3.877 1.00 0.00 N ATOM 991 CA GLN A 74 0.481 11.515 -3.254 1.00 0.00 C ATOM 992 C GLN A 74 1.999 11.445 -3.061 1.00 0.00 C ATOM 993 O GLN A 74 2.660 12.482 -3.124 1.00 0.00 O ATOM 994 CB GLN A 74 -0.205 11.768 -1.905 1.00 0.00 C ATOM 995 CG GLN A 74 -1.714 12.020 -2.018 1.00 0.00 C ATOM 996 CD GLN A 74 -2.029 13.203 -2.921 1.00 0.00 C ATOM 997 OE1 GLN A 74 -1.480 14.297 -2.773 1.00 0.00 O ATOM 998 NE2 GLN A 74 -2.900 13.010 -3.891 1.00 0.00 N ATOM 0 H GLN A 74 -0.832 9.896 -3.319 1.00 0.00 H new ATOM 0 HA GLN A 74 0.307 12.341 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.037 10.909 -1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 74 0.263 12.627 -1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.202 11.127 -2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.126 12.202 -1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.347 12.100 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.127 13.771 -4.531 1.00 0.00 H new ATOM 1007 N SER A 75 2.594 10.262 -2.877 1.00 0.00 N ATOM 1008 CA SER A 75 3.996 10.136 -2.619 1.00 0.00 C ATOM 1009 C SER A 75 4.457 10.920 -1.426 1.00 0.00 C ATOM 1010 O SER A 75 3.757 10.951 -0.412 1.00 0.00 O ATOM 1011 CB SER A 75 4.799 10.155 -3.905 1.00 0.00 C ATOM 1012 OG SER A 75 4.841 11.403 -4.567 1.00 0.00 O ATOM 0 H SER A 75 2.097 9.372 -2.907 1.00 0.00 H new ATOM 0 HA SER A 75 4.225 9.138 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.820 9.845 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.382 9.414 -4.587 1.00 0.00 H new ATOM 0 HG SER A 75 4.233 12.030 -4.122 1.00 0.00 H new ATOM 1018 N LEU A 76 5.725 11.310 -1.478 1.00 0.00 N ATOM 1019 CA LEU A 76 6.461 12.069 -0.524 1.00 0.00 C ATOM 1020 C LEU A 76 6.853 11.266 0.680 1.00 0.00 C ATOM 1021 O LEU A 76 8.044 11.237 0.938 1.00 0.00 O ATOM 1022 CB LEU A 76 5.697 13.329 -0.221 1.00 0.00 C ATOM 1023 CG LEU A 76 5.609 14.271 -1.421 1.00 0.00 C ATOM 1024 CD1 LEU A 76 4.518 15.306 -1.171 1.00 0.00 C ATOM 1025 CD2 LEU A 76 6.960 14.947 -1.690 1.00 0.00 C ATOM 0 H LEU A 76 6.306 11.067 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 76 7.423 12.360 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.690 13.068 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.176 13.849 0.609 1.00 0.00 H new ATOM 0 HG LEU A 76 5.354 13.694 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.453 15.980 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.562 14.801 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.758 15.879 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.870 15.612 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.259 15.524 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.713 14.186 -1.898 1.00 0.00 H new ATOM 1037 N ALA A 77 5.968 10.493 1.297 1.00 0.00 N ATOM 1038 CA ALA A 77 6.408 9.490 2.254 1.00 0.00 C ATOM 1039 C ALA A 77 7.459 8.584 1.597 1.00 0.00 C ATOM 1040 O ALA A 77 8.514 8.343 2.167 1.00 0.00 O ATOM 1041 CB ALA A 77 5.206 8.682 2.732 1.00 0.00 C ATOM 0 H ALA A 77 4.959 10.540 1.155 1.00 0.00 H new ATOM 0 HA ALA A 77 6.863 9.972 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.535 7.930 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.486 9.348 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.736 8.190 1.880 1.00 0.00 H new ATOM 1047 N GLU A 78 7.225 8.179 0.345 1.00 0.00 N ATOM 1048 CA GLU A 78 8.131 7.339 -0.440 1.00 0.00 C ATOM 1049 C GLU A 78 9.463 8.033 -0.794 1.00 0.00 C ATOM 1050 O GLU A 78 10.332 7.383 -1.361 1.00 0.00 O ATOM 1051 CB GLU A 78 7.382 6.815 -1.691 1.00 0.00 C ATOM 1052 CG GLU A 78 7.456 7.724 -2.934 1.00 0.00 C ATOM 1053 CD GLU A 78 8.392 7.273 -4.076 1.00 0.00 C ATOM 1054 OE1 GLU A 78 9.014 6.192 -4.021 1.00 0.00 O ATOM 1055 OE2 GLU A 78 8.463 8.016 -5.087 1.00 0.00 O ATOM 0 H GLU A 78 6.378 8.434 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 78 8.427 6.492 0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.786 5.837 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.334 6.668 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.450 7.825 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.770 8.716 -2.610 1.00 0.00 H new ATOM 1062 N LYS A 79 9.620 9.340 -0.537 1.00 0.00 N ATOM 1063 CA LYS A 79 10.816 10.134 -0.863 1.00 0.00 C ATOM 1064 C LYS A 79 11.428 10.781 0.387 1.00 0.00 C ATOM 1065 O LYS A 79 12.562 11.258 0.352 1.00 0.00 O ATOM 1066 CB LYS A 79 10.500 11.215 -1.912 1.00 0.00 C ATOM 1067 CG LYS A 79 10.047 10.645 -3.268 1.00 0.00 C ATOM 1068 CD LYS A 79 8.639 11.122 -3.657 1.00 0.00 C ATOM 1069 CE LYS A 79 8.590 12.423 -4.458 1.00 0.00 C ATOM 1070 NZ LYS A 79 9.313 13.574 -3.869 1.00 0.00 N ATOM 0 H LYS A 79 8.894 9.893 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 79 11.548 9.443 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.719 11.869 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.386 11.831 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.756 10.943 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.061 9.556 -3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.155 10.338 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.053 11.252 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.999 12.232 -5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.546 12.705 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.780 14.448 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.411 13.434 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.256 13.649 -4.300 1.00 0.00 H new ATOM 1084 N ASN A 80 10.668 10.873 1.478 1.00 0.00 N ATOM 1085 CA ASN A 80 11.061 11.512 2.722 1.00 0.00 C ATOM 1086 C ASN A 80 11.575 10.449 3.684 1.00 0.00 C ATOM 1087 O ASN A 80 12.564 10.694 4.381 1.00 0.00 O ATOM 1088 CB ASN A 80 9.884 12.289 3.334 1.00 0.00 C ATOM 1089 CG ASN A 80 9.719 13.642 2.666 1.00 0.00 C ATOM 1090 OD1 ASN A 80 10.634 14.464 2.672 1.00 0.00 O ATOM 1091 ND2 ASN A 80 8.593 13.921 2.043 1.00 0.00 N ATOM 0 H ASN A 80 9.725 10.487 1.515 1.00 0.00 H new ATOM 0 HA ASN A 80 11.856 12.231 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.966 11.711 3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.050 12.425 4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.482 14.816 1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.832 13.242 2.036 1.00 0.00 H new ATOM 1098 N ALA A 81 10.923 9.277 3.706 1.00 0.00 N ATOM 1099 CA ALA A 81 11.427 8.085 4.378 1.00 0.00 C ATOM 1100 C ALA A 81 12.738 7.627 3.723 1.00 0.00 C ATOM 1101 O ALA A 81 13.194 8.185 2.720 1.00 0.00 O ATOM 1102 CB ALA A 81 10.367 6.974 4.349 1.00 0.00 C ATOM 0 H ALA A 81 10.021 9.136 3.251 1.00 0.00 H new ATOM 0 HA ALA A 81 11.637 8.320 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.754 6.089 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.466 7.317 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.127 6.727 3.315 1.00 0.00 H new ATOM 1108 N GLN A 82 13.361 6.607 4.303 1.00 0.00 N ATOM 1109 CA GLN A 82 14.743 6.255 4.051 1.00 0.00 C ATOM 1110 C GLN A 82 14.849 4.906 3.346 1.00 0.00 C ATOM 1111 O GLN A 82 13.887 4.134 3.298 1.00 0.00 O ATOM 1112 CB GLN A 82 15.484 6.294 5.397 1.00 0.00 C ATOM 1113 CG GLN A 82 15.099 5.175 6.369 1.00 0.00 C ATOM 1114 CD GLN A 82 16.217 4.151 6.495 1.00 0.00 C ATOM 1115 OE1 GLN A 82 16.056 2.972 5.928 1.00 0.00 O flip ATOM 1116 NE2 GLN A 82 17.260 4.423 7.090 1.00 0.00 N flip ATOM 0 H GLN A 82 12.904 5.991 4.976 1.00 0.00 H new ATOM 0 HA GLN A 82 15.209 6.968 3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.556 6.241 5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.292 7.255 5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.878 5.600 7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.190 4.684 6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.375 5.338 7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.009 3.733 7.147 1.00 0.00 H new ATOM 1125 N VAL A 83 16.051 4.610 2.869 1.00 0.00 N ATOM 1126 CA VAL A 83 16.404 3.377 2.171 1.00 0.00 C ATOM 1127 C VAL A 83 17.736 2.907 2.749 1.00 0.00 C ATOM 1128 O VAL A 83 18.708 3.670 2.741 1.00 0.00 O ATOM 1129 CB VAL A 83 16.493 3.622 0.646 1.00 0.00 C ATOM 1130 CG1 VAL A 83 16.865 2.325 -0.090 1.00 0.00 C ATOM 1131 CG2 VAL A 83 15.192 4.183 0.051 1.00 0.00 C ATOM 0 H VAL A 83 16.841 5.248 2.961 1.00 0.00 H new ATOM 0 HA VAL A 83 15.643 2.609 2.313 1.00 0.00 H new ATOM 0 HB VAL A 83 17.272 4.371 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 83 16.923 2.518 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 83 17.831 1.968 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 83 16.105 1.567 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 83 15.317 4.333 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 83 14.379 3.479 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.956 5.135 0.526 1.00 0.00 H new ATOM 1141 N VAL A 84 17.792 1.673 3.244 1.00 0.00 N ATOM 1142 CA VAL A 84 19.016 1.029 3.723 1.00 0.00 C ATOM 1143 C VAL A 84 19.308 -0.155 2.831 1.00 0.00 C ATOM 1144 O VAL A 84 19.010 -0.039 1.625 1.00 0.00 O ATOM 1145 CB VAL A 84 18.926 0.705 5.225 1.00 0.00 C ATOM 1146 CG1 VAL A 84 19.074 2.007 6.014 1.00 0.00 C ATOM 1147 CG2 VAL A 84 17.656 -0.069 5.612 1.00 0.00 C ATOM 0 H VAL A 84 16.968 1.077 3.326 1.00 0.00 H new ATOM 0 HA VAL A 84 19.869 1.703 3.652 1.00 0.00 H new ATOM 0 HB VAL A 84 19.741 0.027 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.012 1.795 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 84 20.039 2.461 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.276 2.695 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.660 -0.262 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 84 16.777 0.521 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 84 17.628 -1.016 5.073 1.00 0.00 H new TER 1157 VAL A 84