USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 534 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 1 GLY N :NH3+ 139:sc= 0.0104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0662 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 85:sc= -0.247 USER MOD Single : A 13 THR OG1 : rot 168:sc= 1.12 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 22:sc= -4.66! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 38:sc= 0.757 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.012 (180deg=-0.231) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 45 TYR OH : rot -57:sc= 0.597 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -0.382 (180deg=-1.02) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -119:sc= 0.362 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.825 13.428 5.558 1.00 0.00 N ATOM 2 CA GLY A 1 9.233 14.334 4.590 1.00 0.00 C ATOM 3 C GLY A 1 8.644 15.570 5.239 1.00 0.00 C ATOM 4 O GLY A 1 8.056 15.494 6.317 1.00 0.00 O ATOM 0 H1 GLY A 1 9.589 12.447 5.305 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.858 13.546 5.558 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.453 13.641 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.991 14.633 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.453 13.811 4.037 1.00 0.00 H new ATOM 8 N SER A 2 8.801 16.714 4.579 1.00 0.00 N ATOM 9 CA SER A 2 8.284 17.974 5.101 1.00 0.00 C ATOM 10 C SER A 2 6.763 18.024 4.992 1.00 0.00 C ATOM 11 O SER A 2 6.072 18.367 5.950 1.00 0.00 O ATOM 12 CB SER A 2 8.901 19.154 4.347 1.00 0.00 C ATOM 13 OG SER A 2 8.567 19.109 2.970 1.00 0.00 O ATOM 0 H SER A 2 9.282 16.794 3.683 1.00 0.00 H new ATOM 0 HA SER A 2 8.557 18.042 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.549 20.090 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.985 19.137 4.463 1.00 0.00 H new ATOM 0 HG SER A 2 8.971 19.874 2.510 1.00 0.00 H new ATOM 19 N SER A 3 6.250 17.679 3.815 1.00 0.00 N ATOM 20 CA SER A 3 4.811 17.689 3.577 1.00 0.00 C ATOM 21 C SER A 3 4.112 16.633 4.429 1.00 0.00 C ATOM 22 O SER A 3 3.249 16.949 5.245 1.00 0.00 O ATOM 23 CB SER A 3 4.516 17.443 2.096 1.00 0.00 C ATOM 24 OG SER A 3 5.051 18.479 1.291 1.00 0.00 O ATOM 0 H SER A 3 6.809 17.389 3.012 1.00 0.00 H new ATOM 0 HA SER A 3 4.428 18.670 3.858 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.940 16.486 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.439 17.378 1.942 1.00 0.00 H new ATOM 0 HG SER A 3 4.851 18.298 0.349 1.00 0.00 H new ATOM 30 N GLY A 4 4.495 15.375 4.230 1.00 0.00 N ATOM 31 CA GLY A 4 3.897 14.290 4.986 1.00 0.00 C ATOM 32 C GLY A 4 2.387 14.250 4.848 1.00 0.00 C ATOM 33 O GLY A 4 1.662 14.435 5.824 1.00 0.00 O ATOM 0 H GLY A 4 5.208 15.088 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.315 13.342 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.160 14.397 6.038 1.00 0.00 H new ATOM 37 N SER A 5 1.913 14.009 3.629 1.00 0.00 N ATOM 38 CA SER A 5 0.481 13.951 3.363 1.00 0.00 C ATOM 39 C SER A 5 0.202 13.252 2.036 1.00 0.00 C ATOM 40 O SER A 5 1.078 13.155 1.177 1.00 0.00 O ATOM 41 CB SER A 5 -0.114 15.360 3.346 1.00 0.00 C ATOM 42 OG SER A 5 0.540 16.178 2.391 1.00 0.00 O ATOM 0 H SER A 5 2.501 13.851 2.810 1.00 0.00 H new ATOM 0 HA SER A 5 0.012 13.376 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.178 15.306 3.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.024 15.808 4.336 1.00 0.00 H new ATOM 0 HG SER A 5 0.140 17.073 2.398 1.00 0.00 H new ATOM 48 N SER A 6 -1.025 12.767 1.877 1.00 0.00 N ATOM 49 CA SER A 6 -1.420 12.074 0.656 1.00 0.00 C ATOM 50 C SER A 6 -0.473 10.916 0.359 1.00 0.00 C ATOM 51 O SER A 6 -0.052 10.720 -0.781 1.00 0.00 O ATOM 52 CB SER A 6 -1.441 13.046 -0.524 1.00 0.00 C ATOM 53 OG SER A 6 -2.327 12.600 -1.537 1.00 0.00 O ATOM 0 H SER A 6 -1.762 12.841 2.578 1.00 0.00 H new ATOM 0 HA SER A 6 -2.423 11.673 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.745 14.034 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.436 13.147 -0.934 1.00 0.00 H new ATOM 0 HG SER A 6 -2.323 13.240 -2.280 1.00 0.00 H new ATOM 59 N GLY A 7 -0.140 10.150 1.394 1.00 0.00 N ATOM 60 CA GLY A 7 0.756 9.021 1.223 1.00 0.00 C ATOM 61 C GLY A 7 2.059 9.195 1.979 1.00 0.00 C ATOM 62 O GLY A 7 3.102 9.451 1.379 1.00 0.00 O ATOM 0 H GLY A 7 -0.475 10.291 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.260 8.112 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.970 8.888 0.162 1.00 0.00 H new ATOM 66 N GLU A 8 1.996 9.058 3.301 1.00 0.00 N ATOM 67 CA GLU A 8 3.180 9.205 4.139 1.00 0.00 C ATOM 68 C GLU A 8 4.397 8.559 3.481 1.00 0.00 C ATOM 69 O GLU A 8 5.471 9.155 3.420 1.00 0.00 O ATOM 70 CB GLU A 8 2.939 8.580 5.515 1.00 0.00 C ATOM 71 CG GLU A 8 2.102 9.447 6.439 1.00 0.00 C ATOM 72 CD GLU A 8 2.912 10.540 7.107 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.929 10.967 6.523 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.529 10.968 8.216 1.00 0.00 O ATOM 0 H GLU A 8 1.140 8.846 3.813 1.00 0.00 H new ATOM 0 HA GLU A 8 3.377 10.270 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.444 7.618 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.901 8.382 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.289 9.899 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.645 8.820 7.204 1.00 0.00 H new ATOM 81 N GLU A 9 4.217 7.336 2.991 1.00 0.00 N ATOM 82 CA GLU A 9 5.300 6.608 2.338 1.00 0.00 C ATOM 83 C GLU A 9 4.763 5.722 1.220 1.00 0.00 C ATOM 84 O GLU A 9 3.942 4.834 1.455 1.00 0.00 O ATOM 85 CB GLU A 9 6.059 5.759 3.359 1.00 0.00 C ATOM 86 CG GLU A 9 6.915 6.573 4.314 1.00 0.00 C ATOM 87 CD GLU A 9 8.222 7.023 3.689 1.00 0.00 C ATOM 88 OE1 GLU A 9 8.791 6.251 2.889 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.673 8.145 3.998 1.00 0.00 O ATOM 0 H GLU A 9 3.333 6.829 3.034 1.00 0.00 H new ATOM 0 HA GLU A 9 5.984 7.336 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.343 5.174 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.695 5.051 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.354 7.448 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.127 5.978 5.202 1.00 0.00 H new ATOM 96 N LYS A 10 5.231 5.969 0.001 1.00 0.00 N ATOM 97 CA LYS A 10 4.800 5.193 -1.156 1.00 0.00 C ATOM 98 C LYS A 10 5.505 3.842 -1.199 1.00 0.00 C ATOM 99 O LYS A 10 6.714 3.768 -1.418 1.00 0.00 O ATOM 100 CB LYS A 10 5.079 5.968 -2.447 1.00 0.00 C ATOM 101 CG LYS A 10 3.967 6.929 -2.831 1.00 0.00 C ATOM 102 CD LYS A 10 4.424 7.909 -3.899 1.00 0.00 C ATOM 103 CE LYS A 10 4.399 7.278 -5.283 1.00 0.00 C ATOM 104 NZ LYS A 10 5.133 8.103 -6.282 1.00 0.00 N ATOM 0 H LYS A 10 5.909 6.701 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 10 3.728 5.020 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.008 6.527 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.232 5.259 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.108 6.366 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.638 7.478 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.780 8.788 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.434 8.251 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.843 6.284 -5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.366 7.151 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.093 7.639 -7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.694 9.044 -6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.125 8.203 -5.988 1.00 0.00 H new ATOM 118 N TYR A 11 4.742 2.775 -0.990 1.00 0.00 N ATOM 119 CA TYR A 11 5.294 1.425 -1.004 1.00 0.00 C ATOM 120 C TYR A 11 5.009 0.733 -2.334 1.00 0.00 C ATOM 121 O TYR A 11 4.349 1.293 -3.209 1.00 0.00 O ATOM 122 CB TYR A 11 4.715 0.603 0.147 1.00 0.00 C ATOM 123 CG TYR A 11 5.518 0.698 1.424 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.697 1.916 2.066 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.099 -0.431 1.988 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.431 2.008 3.233 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.834 -0.349 3.155 1.00 0.00 C ATOM 128 CZ TYR A 11 6.997 0.874 3.774 1.00 0.00 C ATOM 129 OH TYR A 11 7.728 0.960 4.937 1.00 0.00 O ATOM 0 H TYR A 11 3.739 2.819 -0.809 1.00 0.00 H new ATOM 0 HA TYR A 11 6.374 1.500 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.696 0.936 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.656 -0.442 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.255 2.807 1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.974 -1.389 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.560 2.964 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.278 -1.237 3.580 1.00 0.00 H new ATOM 0 HH TYR A 11 7.125 0.907 5.707 1.00 0.00 H new ATOM 139 N VAL A 12 5.510 -0.489 -2.477 1.00 0.00 N ATOM 140 CA VAL A 12 5.309 -1.261 -3.698 1.00 0.00 C ATOM 141 C VAL A 12 4.809 -2.666 -3.382 1.00 0.00 C ATOM 142 O VAL A 12 5.223 -3.280 -2.399 1.00 0.00 O ATOM 143 CB VAL A 12 6.608 -1.361 -4.518 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.402 -2.250 -5.737 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.085 0.023 -4.932 1.00 0.00 C ATOM 0 H VAL A 12 6.059 -0.967 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 12 4.557 -0.735 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 12 7.378 -1.813 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.330 -2.309 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.110 -3.249 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.618 -1.829 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.004 -0.067 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.319 0.505 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.274 0.624 -4.042 1.00 0.00 H new ATOM 155 N THR A 13 3.914 -3.173 -4.226 1.00 0.00 N ATOM 156 CA THR A 13 3.356 -4.506 -4.039 1.00 0.00 C ATOM 157 C THR A 13 4.139 -5.546 -4.832 1.00 0.00 C ATOM 158 O THR A 13 4.247 -5.457 -6.055 1.00 0.00 O ATOM 159 CB THR A 13 1.877 -4.561 -4.463 1.00 0.00 C ATOM 160 OG1 THR A 13 1.762 -4.333 -5.872 1.00 0.00 O ATOM 161 CG2 THR A 13 1.059 -3.524 -3.708 1.00 0.00 C ATOM 0 H THR A 13 3.561 -2.679 -5.046 1.00 0.00 H new ATOM 0 HA THR A 13 3.430 -4.733 -2.975 1.00 0.00 H new ATOM 0 HB THR A 13 1.490 -5.551 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.856 -4.562 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.017 -3.582 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.125 -3.718 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.448 -2.528 -3.921 1.00 0.00 H new ATOM 169 N VAL A 14 4.685 -6.533 -4.129 1.00 0.00 N ATOM 170 CA VAL A 14 5.458 -7.591 -4.767 1.00 0.00 C ATOM 171 C VAL A 14 4.555 -8.734 -5.220 1.00 0.00 C ATOM 172 O VAL A 14 4.975 -9.606 -5.979 1.00 0.00 O ATOM 173 CB VAL A 14 6.537 -8.150 -3.820 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.635 -7.121 -3.597 1.00 0.00 C ATOM 175 CG2 VAL A 14 5.916 -8.574 -2.498 1.00 0.00 C ATOM 0 H VAL A 14 4.606 -6.622 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 14 5.943 -7.147 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 14 6.984 -9.029 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.389 -7.533 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.098 -6.870 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.207 -6.222 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.692 -8.967 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.442 -7.713 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.168 -9.346 -2.678 1.00 0.00 H new ATOM 185 N GLN A 15 3.312 -8.721 -4.748 1.00 0.00 N ATOM 186 CA GLN A 15 2.348 -9.756 -5.105 1.00 0.00 C ATOM 187 C GLN A 15 0.932 -9.192 -5.143 1.00 0.00 C ATOM 188 O GLN A 15 0.566 -8.314 -4.361 1.00 0.00 O ATOM 189 CB GLN A 15 2.423 -10.915 -4.109 1.00 0.00 C ATOM 190 CG GLN A 15 3.752 -11.652 -4.131 1.00 0.00 C ATOM 191 CD GLN A 15 3.679 -13.007 -3.457 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.284 -13.999 -4.071 1.00 0.00 O ATOM 193 NE2 GLN A 15 4.060 -13.058 -2.186 1.00 0.00 N ATOM 0 H GLN A 15 2.949 -8.006 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 15 2.598 -10.124 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.247 -10.531 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.622 -11.622 -4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.074 -11.781 -5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.509 -11.044 -3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.381 -12.212 -1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.032 -13.943 -1.680 1.00 0.00 H new ATOM 202 N PRO A 16 0.115 -9.707 -6.074 1.00 0.00 N ATOM 203 CA PRO A 16 -1.275 -9.269 -6.236 1.00 0.00 C ATOM 204 C PRO A 16 -2.160 -9.709 -5.075 1.00 0.00 C ATOM 205 O PRO A 16 -1.902 -10.729 -4.437 1.00 0.00 O ATOM 206 CB PRO A 16 -1.713 -9.954 -7.533 1.00 0.00 C ATOM 207 CG PRO A 16 -0.834 -11.152 -7.644 1.00 0.00 C ATOM 208 CD PRO A 16 0.485 -10.755 -7.040 1.00 0.00 C ATOM 0 HA PRO A 16 -1.360 -8.183 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.765 -10.237 -7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.591 -9.293 -8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.265 -12.003 -7.116 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.712 -11.452 -8.685 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.973 -11.598 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.176 -10.380 -7.795 1.00 0.00 H new ATOM 216 N TYR A 17 -3.204 -8.933 -4.807 1.00 0.00 N ATOM 217 CA TYR A 17 -4.127 -9.242 -3.721 1.00 0.00 C ATOM 218 C TYR A 17 -5.571 -9.241 -4.216 1.00 0.00 C ATOM 219 O TYR A 17 -5.924 -8.502 -5.136 1.00 0.00 O ATOM 220 CB TYR A 17 -3.966 -8.232 -2.584 1.00 0.00 C ATOM 221 CG TYR A 17 -4.659 -8.644 -1.305 1.00 0.00 C ATOM 222 CD1 TYR A 17 -6.033 -8.498 -1.158 1.00 0.00 C ATOM 223 CD2 TYR A 17 -3.940 -9.178 -0.243 1.00 0.00 C ATOM 224 CE1 TYR A 17 -6.670 -8.873 0.008 1.00 0.00 C ATOM 225 CE2 TYR A 17 -4.570 -9.556 0.928 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.936 -9.402 1.048 1.00 0.00 C ATOM 227 OH TYR A 17 -6.565 -9.777 2.212 1.00 0.00 O ATOM 0 H TYR A 17 -3.432 -8.086 -5.327 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.890 -10.239 -3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.904 -8.091 -2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.360 -7.268 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.613 -8.084 -1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.871 -9.300 -0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.739 -8.752 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.996 -9.969 1.744 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.903 -10.131 2.842 1.00 0.00 H new ATOM 237 N THR A 18 -6.402 -10.074 -3.597 1.00 0.00 N ATOM 238 CA THR A 18 -7.806 -10.171 -3.974 1.00 0.00 C ATOM 239 C THR A 18 -8.714 -9.763 -2.819 1.00 0.00 C ATOM 240 O THR A 18 -8.887 -10.512 -1.857 1.00 0.00 O ATOM 241 CB THR A 18 -8.171 -11.601 -4.418 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.188 -12.096 -5.334 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.543 -11.629 -5.075 1.00 0.00 C ATOM 0 H THR A 18 -6.127 -10.691 -2.833 1.00 0.00 H new ATOM 0 HA THR A 18 -7.957 -9.489 -4.811 1.00 0.00 H new ATOM 0 HB THR A 18 -8.195 -12.237 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.427 -13.006 -5.610 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.779 -12.648 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.293 -11.279 -4.366 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.541 -10.979 -5.950 1.00 0.00 H new ATOM 251 N SER A 19 -9.293 -8.571 -2.921 1.00 0.00 N ATOM 252 CA SER A 19 -10.181 -8.061 -1.883 1.00 0.00 C ATOM 253 C SER A 19 -11.640 -8.337 -2.233 1.00 0.00 C ATOM 254 O SER A 19 -12.052 -8.188 -3.384 1.00 0.00 O ATOM 255 CB SER A 19 -9.966 -6.559 -1.690 1.00 0.00 C ATOM 256 OG SER A 19 -8.946 -6.308 -0.739 1.00 0.00 O ATOM 0 H SER A 19 -9.163 -7.940 -3.712 1.00 0.00 H new ATOM 0 HA SER A 19 -9.945 -8.576 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.700 -6.101 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.896 -6.095 -1.362 1.00 0.00 H new ATOM 0 HG SER A 19 -8.364 -7.093 -0.669 1.00 0.00 H new ATOM 262 N GLN A 20 -12.417 -8.738 -1.232 1.00 0.00 N ATOM 263 CA GLN A 20 -13.830 -9.036 -1.435 1.00 0.00 C ATOM 264 C GLN A 20 -14.699 -8.228 -0.476 1.00 0.00 C ATOM 265 O GLN A 20 -15.817 -8.627 -0.150 1.00 0.00 O ATOM 266 CB GLN A 20 -14.091 -10.531 -1.241 1.00 0.00 C ATOM 267 CG GLN A 20 -13.768 -11.368 -2.469 1.00 0.00 C ATOM 268 CD GLN A 20 -13.567 -12.834 -2.138 1.00 0.00 C ATOM 269 OE1 GLN A 20 -14.480 -13.506 -1.658 1.00 0.00 O ATOM 270 NE2 GLN A 20 -12.366 -13.339 -2.396 1.00 0.00 N ATOM 0 H GLN A 20 -12.092 -8.864 -0.273 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.091 -8.758 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.497 -10.889 -0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.138 -10.678 -0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.576 -11.270 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.867 -10.979 -2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.638 -12.746 -2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.172 -14.320 -2.196 1.00 0.00 H new ATOM 279 N SER A 21 -14.176 -7.091 -0.027 1.00 0.00 N ATOM 280 CA SER A 21 -14.903 -6.229 0.898 1.00 0.00 C ATOM 281 C SER A 21 -14.298 -4.828 0.925 1.00 0.00 C ATOM 282 O SER A 21 -13.078 -4.665 0.873 1.00 0.00 O ATOM 283 CB SER A 21 -14.890 -6.829 2.306 1.00 0.00 C ATOM 284 OG SER A 21 -16.002 -7.684 2.505 1.00 0.00 O ATOM 0 H SER A 21 -13.253 -6.746 -0.289 1.00 0.00 H new ATOM 0 HA SER A 21 -15.934 -6.155 0.552 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.966 -7.387 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.905 -6.029 3.046 1.00 0.00 H new ATOM 0 HG SER A 21 -16.186 -8.179 1.679 1.00 0.00 H new ATOM 290 N LYS A 22 -15.159 -3.820 1.005 1.00 0.00 N ATOM 291 CA LYS A 22 -14.712 -2.432 1.040 1.00 0.00 C ATOM 292 C LYS A 22 -13.535 -2.264 1.994 1.00 0.00 C ATOM 293 O LYS A 22 -12.514 -1.675 1.638 1.00 0.00 O ATOM 294 CB LYS A 22 -15.861 -1.516 1.464 1.00 0.00 C ATOM 295 CG LYS A 22 -16.488 -1.900 2.794 1.00 0.00 C ATOM 296 CD LYS A 22 -17.955 -1.513 2.852 1.00 0.00 C ATOM 297 CE LYS A 22 -18.568 -1.850 4.203 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.816 -1.078 4.454 1.00 0.00 N ATOM 0 H LYS A 22 -16.171 -3.938 1.047 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.386 -2.155 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.493 -0.492 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.630 -1.531 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.388 -2.975 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.950 -1.411 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.058 -0.445 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.501 -2.032 2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.786 -2.917 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.846 -1.640 4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.203 -1.336 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.604 -0.060 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.515 -1.298 3.716 1.00 0.00 H new ATOM 312 N ASP A 23 -13.682 -2.787 3.207 1.00 0.00 N ATOM 313 CA ASP A 23 -12.630 -2.697 4.212 1.00 0.00 C ATOM 314 C ASP A 23 -11.278 -3.082 3.619 1.00 0.00 C ATOM 315 O ASP A 23 -10.254 -2.480 3.941 1.00 0.00 O ATOM 316 CB ASP A 23 -12.954 -3.598 5.404 1.00 0.00 C ATOM 317 CG ASP A 23 -14.184 -3.137 6.161 1.00 0.00 C ATOM 318 OD1 ASP A 23 -14.043 -2.278 7.055 1.00 0.00 O ATOM 319 OD2 ASP A 23 -15.289 -3.636 5.859 1.00 0.00 O ATOM 0 H ASP A 23 -14.520 -3.278 3.518 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.576 -1.663 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.108 -4.618 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.101 -3.620 6.082 1.00 0.00 H new ATOM 324 N GLU A 24 -11.283 -4.091 2.754 1.00 0.00 N ATOM 325 CA GLU A 24 -10.056 -4.558 2.118 1.00 0.00 C ATOM 326 C GLU A 24 -9.938 -4.012 0.699 1.00 0.00 C ATOM 327 O GLU A 24 -10.933 -3.626 0.085 1.00 0.00 O ATOM 328 CB GLU A 24 -10.020 -6.088 2.094 1.00 0.00 C ATOM 329 CG GLU A 24 -10.489 -6.729 3.388 1.00 0.00 C ATOM 330 CD GLU A 24 -10.953 -8.161 3.195 1.00 0.00 C ATOM 331 OE1 GLU A 24 -11.794 -8.395 2.303 1.00 0.00 O ATOM 332 OE2 GLU A 24 -10.475 -9.044 3.936 1.00 0.00 O ATOM 0 H GLU A 24 -12.122 -4.601 2.477 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.211 -4.191 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.644 -6.445 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.002 -6.416 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.677 -6.709 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.305 -6.140 3.806 1.00 0.00 H new ATOM 339 N ILE A 25 -8.713 -3.982 0.184 1.00 0.00 N ATOM 340 CA ILE A 25 -8.464 -3.484 -1.164 1.00 0.00 C ATOM 341 C ILE A 25 -7.573 -4.443 -1.947 1.00 0.00 C ATOM 342 O ILE A 25 -6.567 -4.931 -1.436 1.00 0.00 O ATOM 343 CB ILE A 25 -7.803 -2.094 -1.137 1.00 0.00 C ATOM 344 CG1 ILE A 25 -7.975 -1.397 -2.488 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.329 -2.214 -0.779 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.644 0.079 -2.452 1.00 0.00 C ATOM 0 H ILE A 25 -7.878 -4.296 0.679 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.433 -3.407 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.293 -1.490 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.337 -1.886 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.004 -1.522 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.876 -1.223 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.230 -2.673 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.824 -2.833 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.788 0.508 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.299 0.581 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.606 0.212 -2.146 1.00 0.00 H new ATOM 358 N GLY A 26 -7.950 -4.706 -3.195 1.00 0.00 N ATOM 359 CA GLY A 26 -7.174 -5.603 -4.031 1.00 0.00 C ATOM 360 C GLY A 26 -6.354 -4.864 -5.069 1.00 0.00 C ATOM 361 O GLY A 26 -6.875 -4.019 -5.797 1.00 0.00 O ATOM 0 H GLY A 26 -8.779 -4.314 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.510 -6.196 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.846 -6.300 -4.532 1.00 0.00 H new ATOM 365 N PHE A 27 -5.065 -5.181 -5.137 1.00 0.00 N ATOM 366 CA PHE A 27 -4.169 -4.538 -6.092 1.00 0.00 C ATOM 367 C PHE A 27 -3.352 -5.577 -6.855 1.00 0.00 C ATOM 368 O PHE A 27 -3.368 -6.761 -6.521 1.00 0.00 O ATOM 369 CB PHE A 27 -3.233 -3.566 -5.371 1.00 0.00 C ATOM 370 CG PHE A 27 -2.807 -4.041 -4.011 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.913 -5.091 -3.879 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.302 -3.437 -2.866 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.519 -5.530 -2.628 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.910 -3.871 -1.614 1.00 0.00 C ATOM 375 CZ PHE A 27 -2.019 -4.920 -1.495 1.00 0.00 C ATOM 0 H PHE A 27 -4.618 -5.879 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.777 -3.983 -6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.347 -3.405 -5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.731 -2.602 -5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.520 -5.572 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.001 -2.619 -2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.821 -6.349 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.300 -3.390 -0.729 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.714 -5.262 -0.517 1.00 0.00 H new ATOM 385 N GLU A 28 -2.639 -5.123 -7.881 1.00 0.00 N ATOM 386 CA GLU A 28 -1.816 -6.013 -8.691 1.00 0.00 C ATOM 387 C GLU A 28 -0.351 -5.934 -8.272 1.00 0.00 C ATOM 388 O GLU A 28 0.009 -5.174 -7.372 1.00 0.00 O ATOM 389 CB GLU A 28 -1.954 -5.661 -10.174 1.00 0.00 C ATOM 390 CG GLU A 28 -1.365 -4.308 -10.535 1.00 0.00 C ATOM 391 CD GLU A 28 -1.668 -3.903 -11.965 1.00 0.00 C ATOM 392 OE1 GLU A 28 -0.922 -4.325 -12.872 1.00 0.00 O ATOM 393 OE2 GLU A 28 -2.651 -3.162 -12.175 1.00 0.00 O ATOM 0 H GLU A 28 -2.615 -4.145 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.165 -7.033 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.464 -6.432 -10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.010 -5.672 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.759 -3.552 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.285 -4.336 -10.390 1.00 0.00 H new ATOM 400 N LYS A 29 0.490 -6.723 -8.930 1.00 0.00 N ATOM 401 CA LYS A 29 1.917 -6.743 -8.627 1.00 0.00 C ATOM 402 C LYS A 29 2.681 -5.793 -9.545 1.00 0.00 C ATOM 403 O LYS A 29 2.591 -5.888 -10.768 1.00 0.00 O ATOM 404 CB LYS A 29 2.470 -8.163 -8.772 1.00 0.00 C ATOM 405 CG LYS A 29 3.950 -8.207 -9.111 1.00 0.00 C ATOM 406 CD LYS A 29 4.443 -9.636 -9.273 1.00 0.00 C ATOM 407 CE LYS A 29 5.892 -9.677 -9.733 1.00 0.00 C ATOM 408 NZ LYS A 29 6.054 -9.118 -11.104 1.00 0.00 N ATOM 0 H LYS A 29 0.209 -7.358 -9.677 1.00 0.00 H new ATOM 0 HA LYS A 29 2.049 -6.411 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.302 -8.706 -7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.912 -8.684 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.130 -7.652 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.519 -7.712 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.346 -10.165 -8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.816 -10.159 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.511 -9.113 -9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.250 -10.707 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.985 -9.388 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.307 -9.494 -11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.984 -8.081 -11.067 1.00 0.00 H new ATOM 422 N GLY A 30 3.433 -4.877 -8.943 1.00 0.00 N ATOM 423 CA GLY A 30 4.203 -3.923 -9.722 1.00 0.00 C ATOM 424 C GLY A 30 3.561 -2.549 -9.754 1.00 0.00 C ATOM 425 O GLY A 30 3.573 -1.875 -10.784 1.00 0.00 O ATOM 0 H GLY A 30 3.523 -4.778 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.206 -3.842 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.311 -4.294 -10.741 1.00 0.00 H new ATOM 429 N VAL A 31 2.999 -2.134 -8.623 1.00 0.00 N ATOM 430 CA VAL A 31 2.351 -0.831 -8.527 1.00 0.00 C ATOM 431 C VAL A 31 2.783 -0.094 -7.265 1.00 0.00 C ATOM 432 O VAL A 31 3.453 -0.660 -6.400 1.00 0.00 O ATOM 433 CB VAL A 31 0.816 -0.969 -8.527 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.310 -1.309 -9.920 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.376 -2.020 -7.519 1.00 0.00 C ATOM 0 H VAL A 31 2.979 -2.680 -7.762 1.00 0.00 H new ATOM 0 HA VAL A 31 2.659 -0.258 -9.402 1.00 0.00 H new ATOM 0 HB VAL A 31 0.383 -0.013 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.776 -1.402 -9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.593 -0.517 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.749 -2.252 -10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.711 -2.104 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.818 -2.982 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.705 -1.728 -6.522 1.00 0.00 H new ATOM 445 N THR A 32 2.397 1.174 -7.165 1.00 0.00 N ATOM 446 CA THR A 32 2.745 1.991 -6.009 1.00 0.00 C ATOM 447 C THR A 32 1.536 2.212 -5.107 1.00 0.00 C ATOM 448 O THR A 32 0.445 2.529 -5.582 1.00 0.00 O ATOM 449 CB THR A 32 3.309 3.359 -6.438 1.00 0.00 C ATOM 450 OG1 THR A 32 4.493 3.177 -7.223 1.00 0.00 O ATOM 451 CG2 THR A 32 3.627 4.217 -5.223 1.00 0.00 C ATOM 0 H THR A 32 1.843 1.658 -7.871 1.00 0.00 H new ATOM 0 HA THR A 32 3.511 1.447 -5.457 1.00 0.00 H new ATOM 0 HB THR A 32 2.553 3.868 -7.036 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.844 4.051 -7.493 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.024 5.178 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.718 4.378 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.367 3.711 -4.604 1.00 0.00 H new ATOM 459 N VAL A 33 1.737 2.042 -3.805 1.00 0.00 N ATOM 460 CA VAL A 33 0.663 2.226 -2.835 1.00 0.00 C ATOM 461 C VAL A 33 1.027 3.292 -1.808 1.00 0.00 C ATOM 462 O VAL A 33 2.194 3.456 -1.457 1.00 0.00 O ATOM 463 CB VAL A 33 0.339 0.911 -2.103 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.144 -0.145 -3.086 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.554 0.417 -1.332 1.00 0.00 C ATOM 0 H VAL A 33 2.633 1.777 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.216 2.549 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.463 1.102 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.368 -1.067 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.044 0.210 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.633 -0.336 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.307 -0.513 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.378 0.243 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.849 1.167 -0.598 1.00 0.00 H new ATOM 475 N GLU A 34 0.017 4.013 -1.329 1.00 0.00 N ATOM 476 CA GLU A 34 0.231 5.063 -0.341 1.00 0.00 C ATOM 477 C GLU A 34 -0.097 4.565 1.063 1.00 0.00 C ATOM 478 O GLU A 34 -1.262 4.346 1.401 1.00 0.00 O ATOM 479 CB GLU A 34 -0.625 6.287 -0.672 1.00 0.00 C ATOM 480 CG GLU A 34 -0.217 6.985 -1.959 1.00 0.00 C ATOM 481 CD GLU A 34 -1.304 7.893 -2.501 1.00 0.00 C ATOM 482 OE1 GLU A 34 -2.482 7.690 -2.136 1.00 0.00 O ATOM 483 OE2 GLU A 34 -0.978 8.805 -3.288 1.00 0.00 O ATOM 0 H GLU A 34 -0.956 3.889 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 34 1.283 5.345 -0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.668 5.980 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.562 6.997 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.685 7.571 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.034 6.236 -2.710 1.00 0.00 H new ATOM 490 N VAL A 35 0.938 4.386 1.879 1.00 0.00 N ATOM 491 CA VAL A 35 0.760 3.914 3.247 1.00 0.00 C ATOM 492 C VAL A 35 0.212 5.020 4.143 1.00 0.00 C ATOM 493 O VAL A 35 0.930 5.951 4.506 1.00 0.00 O ATOM 494 CB VAL A 35 2.085 3.398 3.839 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.865 2.842 5.237 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.701 2.346 2.929 1.00 0.00 C ATOM 0 H VAL A 35 1.908 4.561 1.616 1.00 0.00 H new ATOM 0 HA VAL A 35 0.044 3.093 3.208 1.00 0.00 H new ATOM 0 HB VAL A 35 2.780 4.235 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.812 2.482 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.472 3.627 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.153 2.018 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.636 1.992 3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.011 1.509 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.897 2.782 1.949 1.00 0.00 H new ATOM 506 N ILE A 36 -1.064 4.908 4.496 1.00 0.00 N ATOM 507 CA ILE A 36 -1.708 5.898 5.351 1.00 0.00 C ATOM 508 C ILE A 36 -1.380 5.652 6.820 1.00 0.00 C ATOM 509 O ILE A 36 -0.736 6.476 7.469 1.00 0.00 O ATOM 510 CB ILE A 36 -3.238 5.888 5.170 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.601 6.120 3.702 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.883 6.945 6.055 1.00 0.00 C ATOM 513 CD1 ILE A 36 -5.010 5.694 3.354 1.00 0.00 C ATOM 0 H ILE A 36 -1.672 4.143 4.204 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.321 6.872 5.053 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.618 4.911 5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.482 7.178 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.899 5.574 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.964 6.926 5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.648 6.738 7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.500 7.929 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.198 5.887 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.128 4.629 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.720 6.258 3.958 1.00 0.00 H new ATOM 525 N ARG A 37 -1.825 4.511 7.337 1.00 0.00 N ATOM 526 CA ARG A 37 -1.578 4.156 8.729 1.00 0.00 C ATOM 527 C ARG A 37 -0.755 2.875 8.826 1.00 0.00 C ATOM 528 O ARG A 37 -0.542 2.183 7.829 1.00 0.00 O ATOM 529 CB ARG A 37 -2.902 3.983 9.476 1.00 0.00 C ATOM 530 CG ARG A 37 -3.510 5.293 9.949 1.00 0.00 C ATOM 531 CD ARG A 37 -4.359 5.096 11.195 1.00 0.00 C ATOM 532 NE ARG A 37 -3.572 5.223 12.418 1.00 0.00 N ATOM 533 CZ ARG A 37 -2.994 6.355 12.807 1.00 0.00 C ATOM 534 NH1 ARG A 37 -3.115 7.451 12.070 1.00 0.00 N ATOM 535 NH2 ARG A 37 -2.294 6.391 13.932 1.00 0.00 N ATOM 0 H ARG A 37 -2.358 3.817 6.813 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.012 4.966 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.614 3.476 8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.741 3.335 10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.716 6.009 10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.122 5.719 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.165 5.830 11.204 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.825 4.111 11.164 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.459 4.398 13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.652 7.426 11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.671 8.319 12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.198 5.549 14.500 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.851 7.260 14.229 1.00 0.00 H new ATOM 549 N LYS A 38 -0.295 2.563 10.032 1.00 0.00 N ATOM 550 CA LYS A 38 0.503 1.364 10.261 1.00 0.00 C ATOM 551 C LYS A 38 0.160 0.730 11.605 1.00 0.00 C ATOM 552 O LYS A 38 -0.018 1.426 12.603 1.00 0.00 O ATOM 553 CB LYS A 38 1.995 1.702 10.210 1.00 0.00 C ATOM 554 CG LYS A 38 2.543 1.823 8.799 1.00 0.00 C ATOM 555 CD LYS A 38 3.984 2.308 8.800 1.00 0.00 C ATOM 556 CE LYS A 38 4.061 3.826 8.742 1.00 0.00 C ATOM 557 NZ LYS A 38 5.438 4.300 8.432 1.00 0.00 N ATOM 0 H LYS A 38 -0.461 3.124 10.867 1.00 0.00 H new ATOM 0 HA LYS A 38 0.272 0.648 9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.165 2.640 10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.552 0.931 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.484 0.855 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.926 2.515 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.489 1.951 9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.513 1.883 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.370 4.196 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.740 4.243 9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.449 5.339 8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.093 3.969 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.735 3.923 7.509 1.00 0.00 H new ATOM 571 N ASN A 39 0.071 -0.597 11.623 1.00 0.00 N ATOM 572 CA ASN A 39 -0.250 -1.324 12.845 1.00 0.00 C ATOM 573 C ASN A 39 0.866 -2.301 13.205 1.00 0.00 C ATOM 574 O ASN A 39 1.870 -2.402 12.499 1.00 0.00 O ATOM 575 CB ASN A 39 -1.570 -2.080 12.683 1.00 0.00 C ATOM 576 CG ASN A 39 -2.776 -1.195 12.931 1.00 0.00 C ATOM 577 OD1 ASN A 39 -2.851 -0.080 12.212 1.00 0.00 O flip ATOM 578 ND2 ASN A 39 -3.632 -1.510 13.758 1.00 0.00 N flip ATOM 0 H ASN A 39 0.217 -1.189 10.805 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.351 -0.599 13.653 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.627 -2.494 11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.591 -2.921 13.376 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.535 -2.376 14.288 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.439 -0.905 13.913 1.00 0.00 H new ATOM 585 N LEU A 40 0.683 -3.018 14.309 1.00 0.00 N ATOM 586 CA LEU A 40 1.674 -3.988 14.763 1.00 0.00 C ATOM 587 C LEU A 40 1.292 -5.400 14.331 1.00 0.00 C ATOM 588 O LEU A 40 2.048 -6.070 13.627 1.00 0.00 O ATOM 589 CB LEU A 40 1.814 -3.929 16.286 1.00 0.00 C ATOM 590 CG LEU A 40 2.291 -2.596 16.864 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.107 -1.690 17.165 1.00 0.00 C ATOM 592 CD2 LEU A 40 3.122 -2.826 18.118 1.00 0.00 C ATOM 0 H LEU A 40 -0.141 -2.946 14.905 1.00 0.00 H new ATOM 0 HA LEU A 40 2.630 -3.734 14.306 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.848 -4.170 16.729 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.510 -4.707 16.597 1.00 0.00 H new ATOM 0 HG LEU A 40 2.919 -2.103 16.121 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.466 -0.746 17.576 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.553 -1.498 16.246 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.453 -2.175 17.889 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.453 -1.867 18.516 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.518 -3.340 18.866 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.991 -3.436 17.872 1.00 0.00 H new ATOM 604 N GLU A 41 0.114 -5.845 14.756 1.00 0.00 N ATOM 605 CA GLU A 41 -0.369 -7.177 14.411 1.00 0.00 C ATOM 606 C GLU A 41 0.085 -7.574 13.009 1.00 0.00 C ATOM 607 O GLU A 41 0.735 -8.601 12.822 1.00 0.00 O ATOM 608 CB GLU A 41 -1.895 -7.230 14.500 1.00 0.00 C ATOM 609 CG GLU A 41 -2.435 -8.597 14.885 1.00 0.00 C ATOM 610 CD GLU A 41 -3.813 -8.863 14.310 1.00 0.00 C ATOM 611 OE1 GLU A 41 -4.643 -7.932 14.302 1.00 0.00 O ATOM 612 OE2 GLU A 41 -4.059 -10.005 13.866 1.00 0.00 O ATOM 0 H GLU A 41 -0.523 -5.303 15.340 1.00 0.00 H new ATOM 0 HA GLU A 41 0.053 -7.885 15.125 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.234 -6.496 15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.317 -6.940 13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.746 -9.367 14.538 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.478 -8.674 15.971 1.00 0.00 H new ATOM 619 N GLY A 42 -0.266 -6.750 12.026 1.00 0.00 N ATOM 620 CA GLY A 42 0.112 -7.031 10.653 1.00 0.00 C ATOM 621 C GLY A 42 -0.859 -6.438 9.651 1.00 0.00 C ATOM 622 O GLY A 42 -1.296 -7.118 8.722 1.00 0.00 O ATOM 0 H GLY A 42 -0.805 -5.894 12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.110 -6.634 10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.165 -8.110 10.508 1.00 0.00 H new ATOM 626 N TRP A 43 -1.198 -5.168 9.840 1.00 0.00 N ATOM 627 CA TRP A 43 -2.126 -4.484 8.945 1.00 0.00 C ATOM 628 C TRP A 43 -1.624 -3.083 8.610 1.00 0.00 C ATOM 629 O TRP A 43 -1.346 -2.283 9.503 1.00 0.00 O ATOM 630 CB TRP A 43 -3.514 -4.404 9.582 1.00 0.00 C ATOM 631 CG TRP A 43 -4.354 -5.618 9.331 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.813 -6.505 10.263 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.833 -6.081 8.063 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.549 -7.491 9.650 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.577 -7.254 8.302 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.710 -5.619 6.750 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.191 -7.968 7.276 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.319 -6.328 5.733 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.053 -7.491 6.001 1.00 0.00 C ATOM 0 H TRP A 43 -0.845 -4.591 10.604 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.191 -5.057 8.020 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.405 -4.263 10.657 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.033 -3.526 9.196 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.625 -6.441 11.325 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.001 -8.273 10.123 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.148 -4.722 6.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.756 -8.866 7.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.228 -5.980 4.715 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.519 -8.022 5.184 1.00 0.00 H new ATOM 650 N TRP A 44 -1.511 -2.794 7.319 1.00 0.00 N ATOM 651 CA TRP A 44 -1.043 -1.489 6.866 1.00 0.00 C ATOM 652 C TRP A 44 -2.060 -0.839 5.936 1.00 0.00 C ATOM 653 O TRP A 44 -2.209 -1.245 4.783 1.00 0.00 O ATOM 654 CB TRP A 44 0.304 -1.627 6.154 1.00 0.00 C ATOM 655 CG TRP A 44 1.471 -1.661 7.093 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.525 -2.273 8.313 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.753 -1.056 6.890 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.762 -2.084 8.879 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.534 -1.342 8.026 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.318 -0.301 5.857 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.848 -0.899 8.157 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.621 0.138 5.989 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.375 -0.163 7.131 1.00 0.00 C ATOM 0 H TRP A 44 -1.737 -3.445 6.567 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.920 -0.851 7.741 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.300 -2.539 5.558 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.428 -0.794 5.462 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.714 -2.824 8.766 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.058 -2.439 9.788 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.746 -0.065 4.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.430 -1.128 9.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.066 0.723 5.198 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.392 0.193 7.203 1.00 0.00 H new ATOM 674 N TYR A 45 -2.758 0.172 6.442 1.00 0.00 N ATOM 675 CA TYR A 45 -3.763 0.876 5.656 1.00 0.00 C ATOM 676 C TYR A 45 -3.120 1.618 4.487 1.00 0.00 C ATOM 677 O TYR A 45 -2.309 2.523 4.684 1.00 0.00 O ATOM 678 CB TYR A 45 -4.532 1.862 6.538 1.00 0.00 C ATOM 679 CG TYR A 45 -5.951 2.107 6.077 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.823 1.049 5.854 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.420 3.398 5.864 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.120 1.270 5.432 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.715 3.627 5.444 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.561 2.560 5.228 1.00 0.00 C ATOM 685 OH TYR A 45 -9.853 2.784 4.809 1.00 0.00 O ATOM 0 H TYR A 45 -2.646 0.522 7.393 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.457 0.137 5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.551 1.484 7.560 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.997 2.811 6.559 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.482 0.037 6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.760 4.237 6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.785 0.436 5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.064 4.637 5.285 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.010 2.311 3.965 1.00 0.00 H new ATOM 695 N ILE A 46 -3.488 1.227 3.273 1.00 0.00 N ATOM 696 CA ILE A 46 -2.950 1.855 2.073 1.00 0.00 C ATOM 697 C ILE A 46 -4.068 2.343 1.158 1.00 0.00 C ATOM 698 O ILE A 46 -5.222 1.938 1.302 1.00 0.00 O ATOM 699 CB ILE A 46 -2.047 0.885 1.287 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.826 -0.375 0.905 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.816 0.526 2.106 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.242 -1.109 -0.282 1.00 0.00 C ATOM 0 H ILE A 46 -4.157 0.478 3.094 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.356 2.707 2.403 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.719 1.378 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.854 -1.049 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.857 -0.101 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.188 -0.160 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.253 1.431 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.124 0.049 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.845 -1.992 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.239 -0.451 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.220 -1.414 -0.055 1.00 0.00 H new ATOM 714 N ARG A 47 -3.718 3.215 0.218 1.00 0.00 N ATOM 715 CA ARG A 47 -4.693 3.758 -0.721 1.00 0.00 C ATOM 716 C ARG A 47 -4.286 3.457 -2.161 1.00 0.00 C ATOM 717 O ARG A 47 -3.219 3.870 -2.615 1.00 0.00 O ATOM 718 CB ARG A 47 -4.834 5.268 -0.524 1.00 0.00 C ATOM 719 CG ARG A 47 -5.595 5.960 -1.644 1.00 0.00 C ATOM 720 CD ARG A 47 -5.634 7.467 -1.444 1.00 0.00 C ATOM 721 NE ARG A 47 -5.849 8.181 -2.698 1.00 0.00 N ATOM 722 CZ ARG A 47 -5.635 9.482 -2.850 1.00 0.00 C ATOM 723 NH1 ARG A 47 -5.203 10.209 -1.829 1.00 0.00 N ATOM 724 NH2 ARG A 47 -5.853 10.061 -4.023 1.00 0.00 N ATOM 0 H ARG A 47 -2.767 3.560 0.086 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.654 3.282 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.344 5.457 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.841 5.710 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.125 5.731 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.612 5.571 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.430 7.719 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.697 7.797 -0.995 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.182 7.651 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.034 9.769 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.039 11.209 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.186 9.506 -4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.688 11.061 -4.137 1.00 0.00 H new ATOM 738 N TYR A 48 -5.143 2.735 -2.873 1.00 0.00 N ATOM 739 CA TYR A 48 -4.874 2.377 -4.260 1.00 0.00 C ATOM 740 C TYR A 48 -6.103 2.609 -5.133 1.00 0.00 C ATOM 741 O TYR A 48 -7.210 2.191 -4.791 1.00 0.00 O ATOM 742 CB TYR A 48 -4.437 0.913 -4.355 1.00 0.00 C ATOM 743 CG TYR A 48 -4.456 0.365 -5.764 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.515 0.772 -6.701 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.415 -0.560 -6.158 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.529 0.275 -7.990 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.437 -1.063 -7.444 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.492 -0.643 -8.357 1.00 0.00 C ATOM 749 OH TYR A 48 -4.509 -1.141 -9.639 1.00 0.00 O ATOM 0 H TYR A 48 -6.031 2.386 -2.512 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.068 3.015 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.430 0.816 -3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.091 0.306 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.759 1.489 -6.417 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.156 -0.892 -5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.790 0.603 -8.706 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.190 -1.781 -7.733 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.249 -1.777 -9.733 1.00 0.00 H new ATOM 759 N LEU A 49 -5.901 3.279 -6.262 1.00 0.00 N ATOM 760 CA LEU A 49 -6.991 3.569 -7.186 1.00 0.00 C ATOM 761 C LEU A 49 -8.043 4.455 -6.527 1.00 0.00 C ATOM 762 O LEU A 49 -9.238 4.306 -6.774 1.00 0.00 O ATOM 763 CB LEU A 49 -7.635 2.268 -7.669 1.00 0.00 C ATOM 764 CG LEU A 49 -7.016 1.635 -8.916 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.691 0.310 -9.234 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.116 2.585 -10.101 1.00 0.00 C ATOM 0 H LEU A 49 -4.991 3.632 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.577 4.103 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.592 1.542 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.689 2.460 -7.869 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.962 1.443 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.237 -0.125 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.567 -0.372 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.753 0.477 -9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.671 2.119 -10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.164 2.809 -10.301 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.585 3.509 -9.872 1.00 0.00 H new ATOM 778 N GLY A 50 -7.587 5.381 -5.688 1.00 0.00 N ATOM 779 CA GLY A 50 -8.501 6.280 -5.007 1.00 0.00 C ATOM 780 C GLY A 50 -9.388 5.560 -4.011 1.00 0.00 C ATOM 781 O GLY A 50 -10.523 5.972 -3.767 1.00 0.00 O ATOM 0 H GLY A 50 -6.601 5.524 -5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.930 7.050 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.124 6.786 -5.744 1.00 0.00 H new ATOM 785 N LYS A 51 -8.872 4.480 -3.435 1.00 0.00 N ATOM 786 CA LYS A 51 -9.623 3.700 -2.458 1.00 0.00 C ATOM 787 C LYS A 51 -8.730 3.278 -1.296 1.00 0.00 C ATOM 788 O LYS A 51 -7.644 2.737 -1.501 1.00 0.00 O ATOM 789 CB LYS A 51 -10.231 2.464 -3.123 1.00 0.00 C ATOM 790 CG LYS A 51 -11.157 2.789 -4.283 1.00 0.00 C ATOM 791 CD LYS A 51 -11.185 1.668 -5.307 1.00 0.00 C ATOM 792 CE LYS A 51 -11.905 0.440 -4.770 1.00 0.00 C ATOM 793 NZ LYS A 51 -10.984 -0.459 -4.020 1.00 0.00 N ATOM 0 H LYS A 51 -7.936 4.124 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.424 4.327 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.426 1.822 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.785 1.895 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.165 2.964 -3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.831 3.712 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.681 2.014 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.165 1.401 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.719 0.753 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.354 -0.109 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.329 -1.438 -4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.031 -0.402 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.948 -0.165 -3.023 1.00 0.00 H new ATOM 807 N GLU A 52 -9.197 3.526 -0.076 1.00 0.00 N ATOM 808 CA GLU A 52 -8.440 3.171 1.119 1.00 0.00 C ATOM 809 C GLU A 52 -8.960 1.870 1.725 1.00 0.00 C ATOM 810 O GLU A 52 -10.124 1.774 2.111 1.00 0.00 O ATOM 811 CB GLU A 52 -8.519 4.296 2.153 1.00 0.00 C ATOM 812 CG GLU A 52 -8.068 5.646 1.620 1.00 0.00 C ATOM 813 CD GLU A 52 -9.205 6.440 1.007 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.534 6.189 -0.172 1.00 0.00 O ATOM 815 OE2 GLU A 52 -9.764 7.312 1.704 1.00 0.00 O ATOM 0 H GLU A 52 -10.096 3.971 0.111 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.399 3.027 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.546 4.380 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.905 4.031 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.623 6.222 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.290 5.496 0.872 1.00 0.00 H new ATOM 822 N GLY A 53 -8.086 0.871 1.804 1.00 0.00 N ATOM 823 CA GLY A 53 -8.475 -0.411 2.363 1.00 0.00 C ATOM 824 C GLY A 53 -7.384 -1.025 3.218 1.00 0.00 C ATOM 825 O GLY A 53 -6.327 -0.424 3.412 1.00 0.00 O ATOM 0 H GLY A 53 -7.117 0.926 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.375 -0.284 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.727 -1.096 1.553 1.00 0.00 H new ATOM 829 N TRP A 54 -7.640 -2.222 3.730 1.00 0.00 N ATOM 830 CA TRP A 54 -6.671 -2.918 4.570 1.00 0.00 C ATOM 831 C TRP A 54 -5.857 -3.913 3.752 1.00 0.00 C ATOM 832 O TRP A 54 -6.410 -4.707 2.993 1.00 0.00 O ATOM 833 CB TRP A 54 -7.384 -3.641 5.715 1.00 0.00 C ATOM 834 CG TRP A 54 -7.664 -2.757 6.893 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.888 -2.442 7.408 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.698 -2.074 7.701 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.742 -1.604 8.488 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.409 -1.364 8.688 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.303 -1.997 7.687 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.769 -0.586 9.650 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.670 -1.223 8.641 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.402 -0.527 9.612 1.00 0.00 C ATOM 0 H TRP A 54 -8.510 -2.732 3.579 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.990 -2.176 4.987 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.324 -4.052 5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.773 -4.484 6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.832 -2.799 7.024 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.503 -1.223 9.049 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.730 -2.532 6.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.331 -0.048 10.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.592 -1.153 8.638 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.877 0.068 10.345 1.00 0.00 H new ATOM 853 N ALA A 55 -4.538 -3.866 3.914 1.00 0.00 N ATOM 854 CA ALA A 55 -3.648 -4.767 3.192 1.00 0.00 C ATOM 855 C ALA A 55 -2.506 -5.242 4.085 1.00 0.00 C ATOM 856 O ALA A 55 -1.995 -4.503 4.927 1.00 0.00 O ATOM 857 CB ALA A 55 -3.099 -4.082 1.949 1.00 0.00 C ATOM 0 H ALA A 55 -4.063 -3.214 4.538 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.224 -5.641 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.436 -4.766 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.924 -3.798 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.543 -3.191 2.240 1.00 0.00 H new ATOM 863 N PRO A 56 -2.094 -6.504 3.898 1.00 0.00 N ATOM 864 CA PRO A 56 -1.008 -7.106 4.677 1.00 0.00 C ATOM 865 C PRO A 56 0.353 -6.509 4.334 1.00 0.00 C ATOM 866 O PRO A 56 0.726 -6.424 3.164 1.00 0.00 O ATOM 867 CB PRO A 56 -1.060 -8.583 4.276 1.00 0.00 C ATOM 868 CG PRO A 56 -1.681 -8.586 2.922 1.00 0.00 C ATOM 869 CD PRO A 56 -2.657 -7.442 2.911 1.00 0.00 C ATOM 0 HA PRO A 56 -1.131 -6.935 5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.063 -9.023 4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.650 -9.165 4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.926 -8.462 2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.186 -9.532 2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.733 -6.988 1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.659 -7.766 3.191 1.00 0.00 H new ATOM 877 N ALA A 57 1.088 -6.097 5.360 1.00 0.00 N ATOM 878 CA ALA A 57 2.408 -5.509 5.167 1.00 0.00 C ATOM 879 C ALA A 57 3.313 -6.442 4.369 1.00 0.00 C ATOM 880 O ALA A 57 4.318 -6.014 3.803 1.00 0.00 O ATOM 881 CB ALA A 57 3.041 -5.178 6.510 1.00 0.00 C ATOM 0 H ALA A 57 0.792 -6.159 6.334 1.00 0.00 H new ATOM 0 HA ALA A 57 2.288 -4.587 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.026 -4.740 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.410 -4.467 7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.141 -6.089 7.100 1.00 0.00 H new ATOM 887 N SER A 58 2.951 -7.720 4.331 1.00 0.00 N ATOM 888 CA SER A 58 3.733 -8.716 3.607 1.00 0.00 C ATOM 889 C SER A 58 3.678 -8.461 2.104 1.00 0.00 C ATOM 890 O SER A 58 4.659 -8.673 1.391 1.00 0.00 O ATOM 891 CB SER A 58 3.218 -10.123 3.917 1.00 0.00 C ATOM 892 OG SER A 58 3.475 -10.475 5.265 1.00 0.00 O ATOM 0 H SER A 58 2.121 -8.091 4.793 1.00 0.00 H new ATOM 0 HA SER A 58 4.770 -8.637 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.147 -10.172 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.696 -10.843 3.253 1.00 0.00 H new ATOM 0 HG SER A 58 3.135 -11.378 5.438 1.00 0.00 H new ATOM 898 N TYR A 59 2.524 -8.006 1.629 1.00 0.00 N ATOM 899 CA TYR A 59 2.339 -7.724 0.211 1.00 0.00 C ATOM 900 C TYR A 59 2.744 -6.290 -0.117 1.00 0.00 C ATOM 901 O TYR A 59 2.300 -5.719 -1.115 1.00 0.00 O ATOM 902 CB TYR A 59 0.883 -7.958 -0.192 1.00 0.00 C ATOM 903 CG TYR A 59 0.507 -9.421 -0.279 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.595 -10.248 0.834 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.065 -9.975 -1.473 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.254 -11.586 0.759 1.00 0.00 C ATOM 907 CE2 TYR A 59 -0.280 -11.310 -1.558 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.184 -12.111 -0.439 1.00 0.00 C ATOM 909 OH TYR A 59 -0.525 -13.441 -0.519 1.00 0.00 O ATOM 0 H TYR A 59 1.702 -7.825 2.206 1.00 0.00 H new ATOM 0 HA TYR A 59 2.979 -8.402 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.231 -7.466 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.702 -7.487 -1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.936 -9.839 1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.010 -9.351 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.330 -12.216 1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.623 -11.724 -2.495 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.814 -13.650 -1.432 1.00 0.00 H new ATOM 919 N LEU A 60 3.589 -5.712 0.729 1.00 0.00 N ATOM 920 CA LEU A 60 4.056 -4.345 0.531 1.00 0.00 C ATOM 921 C LEU A 60 5.525 -4.210 0.919 1.00 0.00 C ATOM 922 O LEU A 60 5.961 -4.739 1.941 1.00 0.00 O ATOM 923 CB LEU A 60 3.209 -3.371 1.353 1.00 0.00 C ATOM 924 CG LEU A 60 1.699 -3.613 1.332 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.022 -2.862 2.468 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.112 -3.197 -0.010 1.00 0.00 C ATOM 0 H LEU A 60 3.965 -6.169 1.560 1.00 0.00 H new ATOM 0 HA LEU A 60 3.954 -4.103 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.549 -3.409 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.400 -2.360 0.992 1.00 0.00 H new ATOM 0 HG LEU A 60 1.519 -4.679 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.052 -3.046 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.422 -3.207 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.210 -1.794 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.037 -3.376 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.303 -2.137 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.575 -3.780 -0.806 1.00 0.00 H new ATOM 938 N LYS A 61 6.285 -3.494 0.096 1.00 0.00 N ATOM 939 CA LYS A 61 7.705 -3.285 0.352 1.00 0.00 C ATOM 940 C LYS A 61 8.073 -1.812 0.208 1.00 0.00 C ATOM 941 O LYS A 61 7.727 -1.169 -0.784 1.00 0.00 O ATOM 942 CB LYS A 61 8.547 -4.128 -0.608 1.00 0.00 C ATOM 943 CG LYS A 61 8.375 -3.743 -2.067 1.00 0.00 C ATOM 944 CD LYS A 61 9.250 -4.591 -2.975 1.00 0.00 C ATOM 945 CE LYS A 61 10.617 -3.957 -3.182 1.00 0.00 C ATOM 946 NZ LYS A 61 11.643 -4.965 -3.568 1.00 0.00 N ATOM 0 H LYS A 61 5.940 -3.049 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 61 7.913 -3.595 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.598 -4.031 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.282 -5.178 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.330 -3.860 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.626 -2.690 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.370 -5.584 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.758 -4.721 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.549 -3.193 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.927 -3.456 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.561 -4.493 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.726 -5.681 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.360 -5.426 -4.456 1.00 0.00 H new ATOM 960 N LYS A 62 8.777 -1.282 1.202 1.00 0.00 N ATOM 961 CA LYS A 62 9.195 0.115 1.186 1.00 0.00 C ATOM 962 C LYS A 62 9.963 0.438 -0.092 1.00 0.00 C ATOM 963 O LYS A 62 11.064 -0.066 -0.309 1.00 0.00 O ATOM 964 CB LYS A 62 10.064 0.424 2.407 1.00 0.00 C ATOM 965 CG LYS A 62 10.036 1.885 2.819 1.00 0.00 C ATOM 966 CD LYS A 62 11.343 2.305 3.473 1.00 0.00 C ATOM 967 CE LYS A 62 11.307 3.762 3.904 1.00 0.00 C ATOM 968 NZ LYS A 62 11.457 4.687 2.745 1.00 0.00 N ATOM 0 H LYS A 62 9.071 -1.800 2.030 1.00 0.00 H new ATOM 0 HA LYS A 62 8.300 0.736 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.729 -0.188 3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.093 0.135 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.849 2.507 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.211 2.053 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.537 1.673 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.166 2.151 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.365 3.967 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.105 3.948 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.312 5.266 2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.539 4.134 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.625 5.308 2.686 1.00 0.00 H new ATOM 982 N ALA A 63 9.375 1.282 -0.934 1.00 0.00 N ATOM 983 CA ALA A 63 10.005 1.674 -2.188 1.00 0.00 C ATOM 984 C ALA A 63 11.202 2.586 -1.939 1.00 0.00 C ATOM 985 O ALA A 63 11.243 3.318 -0.948 1.00 0.00 O ATOM 986 CB ALA A 63 8.995 2.362 -3.093 1.00 0.00 C ATOM 0 H ALA A 63 8.463 1.707 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 63 10.365 0.772 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.479 2.650 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.173 1.679 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.608 3.252 -2.596 1.00 0.00 H new ATOM 992 N LYS A 64 12.175 2.537 -2.841 1.00 0.00 N ATOM 993 CA LYS A 64 13.374 3.359 -2.720 1.00 0.00 C ATOM 994 C LYS A 64 13.597 4.184 -3.984 1.00 0.00 C ATOM 995 O LYS A 64 12.790 4.144 -4.913 1.00 0.00 O ATOM 996 CB LYS A 64 14.596 2.478 -2.452 1.00 0.00 C ATOM 997 CG LYS A 64 15.043 1.672 -3.660 1.00 0.00 C ATOM 998 CD LYS A 64 14.192 0.428 -3.845 1.00 0.00 C ATOM 999 CE LYS A 64 14.977 -0.689 -4.517 1.00 0.00 C ATOM 1000 NZ LYS A 64 14.083 -1.654 -5.216 1.00 0.00 N ATOM 0 H LYS A 64 12.158 1.936 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 64 13.234 4.041 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.422 3.108 -2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.368 1.795 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.983 2.292 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.088 1.385 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.829 0.087 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.316 0.671 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.678 -0.260 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.568 -1.218 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.656 -2.399 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.430 -2.083 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.537 -1.155 -5.947 1.00 0.00 H new ATOM 1014 N ASP A 65 14.695 4.930 -4.010 1.00 0.00 N ATOM 1015 CA ASP A 65 15.026 5.763 -5.160 1.00 0.00 C ATOM 1016 C ASP A 65 16.439 5.471 -5.656 1.00 0.00 C ATOM 1017 O ASP A 65 17.304 5.057 -4.885 1.00 0.00 O ATOM 1018 CB ASP A 65 14.895 7.244 -4.799 1.00 0.00 C ATOM 1019 CG ASP A 65 15.651 7.601 -3.534 1.00 0.00 C ATOM 1020 OD1 ASP A 65 15.344 7.014 -2.474 1.00 0.00 O ATOM 1021 OD2 ASP A 65 16.551 8.463 -3.604 1.00 0.00 O ATOM 0 H ASP A 65 15.371 4.975 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 65 14.324 5.528 -5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.267 7.850 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.841 7.492 -4.671 1.00 0.00 H new ATOM 1026 N SER A 66 16.664 5.688 -6.948 1.00 0.00 N ATOM 1027 CA SER A 66 17.970 5.442 -7.547 1.00 0.00 C ATOM 1028 C SER A 66 19.083 6.036 -6.688 1.00 0.00 C ATOM 1029 O SER A 66 19.251 7.253 -6.624 1.00 0.00 O ATOM 1030 CB SER A 66 18.027 6.035 -8.957 1.00 0.00 C ATOM 1031 OG SER A 66 19.317 5.880 -9.523 1.00 0.00 O ATOM 0 H SER A 66 15.959 6.033 -7.599 1.00 0.00 H new ATOM 0 HA SER A 66 18.118 4.364 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 66 17.287 5.546 -9.591 1.00 0.00 H new ATOM 0 HB3 SER A 66 17.767 7.093 -8.921 1.00 0.00 H new ATOM 0 HG SER A 66 19.327 6.265 -10.424 1.00 0.00 H new ATOM 1037 N GLY A 67 19.841 5.165 -6.028 1.00 0.00 N ATOM 1038 CA GLY A 67 20.927 5.621 -5.181 1.00 0.00 C ATOM 1039 C GLY A 67 21.585 4.487 -4.420 1.00 0.00 C ATOM 1040 O GLY A 67 20.937 3.515 -4.029 1.00 0.00 O ATOM 0 H GLY A 67 19.722 4.153 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.674 6.125 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.547 6.357 -4.473 1.00 0.00 H new ATOM 1044 N PRO A 68 22.904 4.601 -4.202 1.00 0.00 N ATOM 1045 CA PRO A 68 23.677 3.585 -3.483 1.00 0.00 C ATOM 1046 C PRO A 68 23.336 3.540 -1.997 1.00 0.00 C ATOM 1047 O PRO A 68 22.561 4.359 -1.503 1.00 0.00 O ATOM 1048 CB PRO A 68 25.127 4.035 -3.685 1.00 0.00 C ATOM 1049 CG PRO A 68 25.038 5.504 -3.916 1.00 0.00 C ATOM 1050 CD PRO A 68 23.739 5.731 -4.639 1.00 0.00 C ATOM 0 HA PRO A 68 23.472 2.580 -3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 68 25.738 3.808 -2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 68 25.585 3.528 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 68 25.060 6.050 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 68 25.882 5.858 -4.509 1.00 0.00 H new ATOM 0 HD2 PRO A 68 23.292 6.688 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 68 23.876 5.735 -5.720 1.00 0.00 H new ATOM 1058 N SER A 69 23.918 2.576 -1.290 1.00 0.00 N ATOM 1059 CA SER A 69 23.672 2.422 0.139 1.00 0.00 C ATOM 1060 C SER A 69 24.824 3.002 0.954 1.00 0.00 C ATOM 1061 O SER A 69 24.618 3.836 1.835 1.00 0.00 O ATOM 1062 CB SER A 69 23.477 0.946 0.488 1.00 0.00 C ATOM 1063 OG SER A 69 22.431 0.373 -0.278 1.00 0.00 O ATOM 0 H SER A 69 24.563 1.890 -1.683 1.00 0.00 H new ATOM 0 HA SER A 69 22.763 2.969 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 69 24.404 0.401 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.250 0.847 1.550 1.00 0.00 H new ATOM 0 HG SER A 69 22.328 -0.571 -0.037 1.00 0.00 H new ATOM 1069 N SER A 70 26.039 2.553 0.652 1.00 0.00 N ATOM 1070 CA SER A 70 27.225 3.023 1.359 1.00 0.00 C ATOM 1071 C SER A 70 28.221 3.650 0.389 1.00 0.00 C ATOM 1072 O SER A 70 28.541 3.073 -0.650 1.00 0.00 O ATOM 1073 CB SER A 70 27.886 1.868 2.113 1.00 0.00 C ATOM 1074 OG SER A 70 27.007 1.321 3.081 1.00 0.00 O ATOM 0 H SER A 70 26.227 1.865 -0.077 1.00 0.00 H new ATOM 0 HA SER A 70 26.914 3.783 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 70 28.183 1.092 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 70 28.795 2.221 2.601 1.00 0.00 H new ATOM 0 HG SER A 70 27.453 0.583 3.548 1.00 0.00 H new ATOM 1080 N GLY A 71 28.711 4.836 0.738 1.00 0.00 N ATOM 1081 CA GLY A 71 29.666 5.523 -0.112 1.00 0.00 C ATOM 1082 C GLY A 71 30.931 4.717 -0.331 1.00 0.00 C ATOM 1083 O GLY A 71 31.026 3.945 -1.285 1.00 0.00 O ATOM 0 H GLY A 71 28.464 5.333 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 71 29.203 5.736 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 71 29.923 6.482 0.337 1.00 0.00 H new TER 1087 GLY A 71