USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= -5.99! C(o=-7.5!,f=-6.4!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -1.47! C(o=-7.5!,f=-18!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 160:sc= -0.0243 (180deg=-0.225) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.024) USER MOD Single : A 1 MET CE :methyl -149:sc= 0 (180deg=-0.327) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.109 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -30:sc= -0.0268 USER MOD Single : A 7 TYR OH : rot 31:sc= 0.994 USER MOD Single : A 9 SER OG : rot -68:sc= 1.21 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 12 HIS : no HD1:sc= -0.623 K(o=-0.62,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0596 X(o=-0.06,f=-0.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.593 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.57) USER MOD Single : A 37 MET CE :methyl -128:sc= -2.47 (180deg=-6.35!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.329 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 60 GLN : amide:sc= -3.16! C(o=-3.2!,f=-1.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 145:sc= -0.131 (180deg=-0.568) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.164 0.945 -6.460 1.00 0.00 N ATOM 2 CA MET A 1 -10.192 0.396 -5.082 1.00 0.00 C ATOM 3 C MET A 1 -8.951 0.814 -4.299 1.00 0.00 C ATOM 4 O MET A 1 -8.075 1.492 -4.838 1.00 0.00 O ATOM 5 CB MET A 1 -10.365 -1.117 -5.134 1.00 0.00 C ATOM 6 CG MET A 1 -10.933 -1.704 -3.845 1.00 0.00 C ATOM 7 SD MET A 1 -12.230 -0.701 -3.086 1.00 0.00 S ATOM 8 CE MET A 1 -13.664 -1.245 -4.010 1.00 0.00 C ATOM 0 H1 MET A 1 -11.034 1.487 -6.636 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.340 1.570 -6.568 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.099 0.164 -7.144 1.00 0.00 H new ATOM 0 HA MET A 1 -11.046 0.811 -4.547 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.025 -1.372 -5.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.400 -1.579 -5.341 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.332 -2.696 -4.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.122 -1.832 -3.128 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.378 -0.425 -4.090 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.357 -1.558 -5.008 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.132 -2.084 -3.495 1.00 0.00 H new ATOM 20 N PHE A 2 -8.900 0.453 -3.016 1.00 0.00 N ATOM 21 CA PHE A 2 -7.792 0.845 -2.148 1.00 0.00 C ATOM 22 C PHE A 2 -6.461 0.777 -2.871 1.00 0.00 C ATOM 23 O PHE A 2 -6.077 -0.252 -3.414 1.00 0.00 O ATOM 24 CB PHE A 2 -7.727 -0.040 -0.909 1.00 0.00 C ATOM 25 CG PHE A 2 -8.988 -0.050 -0.097 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.990 -0.970 -0.356 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.166 0.859 0.932 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.147 -0.982 0.397 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.320 0.853 1.689 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.313 -0.070 1.421 1.00 0.00 C ATOM 0 H PHE A 2 -9.615 -0.111 -2.556 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.979 1.877 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.497 -1.060 -1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.904 0.296 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.865 -1.685 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.392 1.582 1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.922 -1.704 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.447 1.568 2.489 1.00 0.00 H new ATOM 0 HZ PHE A 2 -12.217 -0.078 2.011 1.00 0.00 H new ATOM 40 N LYS A 3 -5.776 1.901 -2.871 1.00 0.00 N ATOM 41 CA LYS A 3 -4.489 2.020 -3.528 1.00 0.00 C ATOM 42 C LYS A 3 -3.357 1.660 -2.584 1.00 0.00 C ATOM 43 O LYS A 3 -3.231 2.233 -1.508 1.00 0.00 O ATOM 44 CB LYS A 3 -4.302 3.447 -4.032 1.00 0.00 C ATOM 45 CG LYS A 3 -4.968 3.715 -5.370 1.00 0.00 C ATOM 46 CD LYS A 3 -6.366 4.286 -5.184 1.00 0.00 C ATOM 47 CE LYS A 3 -7.333 3.744 -6.223 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.522 4.691 -7.356 1.00 0.00 N ATOM 0 H LYS A 3 -6.094 2.757 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.468 1.325 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.703 4.140 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.236 3.655 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.361 4.412 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.024 2.790 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.729 4.043 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.328 5.373 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.961 2.793 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.296 3.544 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.189 4.283 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.902 5.590 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.608 4.862 -7.821 1.00 0.00 H new ATOM 62 N VAL A 4 -2.521 0.718 -2.995 1.00 0.00 N ATOM 63 CA VAL A 4 -1.395 0.312 -2.176 1.00 0.00 C ATOM 64 C VAL A 4 -0.080 0.619 -2.870 1.00 0.00 C ATOM 65 O VAL A 4 0.029 0.544 -4.094 1.00 0.00 O ATOM 66 CB VAL A 4 -1.425 -1.190 -1.823 1.00 0.00 C ATOM 67 CG1 VAL A 4 -0.101 -1.620 -1.207 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.563 -1.499 -0.871 1.00 0.00 C ATOM 0 H VAL A 4 -2.602 0.225 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.477 0.884 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.584 -1.749 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.140 -2.682 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.706 -1.440 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.081 -1.047 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.563 -2.564 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.435 -0.926 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.511 -1.230 -1.337 1.00 0.00 H new ATOM 78 N TYR A 5 0.919 0.938 -2.068 1.00 0.00 N ATOM 79 CA TYR A 5 2.246 1.233 -2.571 1.00 0.00 C ATOM 80 C TYR A 5 3.261 0.400 -1.810 1.00 0.00 C ATOM 81 O TYR A 5 3.629 0.728 -0.683 1.00 0.00 O ATOM 82 CB TYR A 5 2.562 2.718 -2.421 1.00 0.00 C ATOM 83 CG TYR A 5 1.748 3.611 -3.330 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.481 4.040 -2.960 1.00 0.00 C ATOM 85 CD2 TYR A 5 2.254 4.038 -4.548 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.259 4.869 -3.780 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.521 4.865 -5.375 1.00 0.00 C ATOM 88 CZ TYR A 5 0.266 5.280 -4.987 1.00 0.00 C ATOM 89 OH TYR A 5 -0.467 6.104 -5.807 1.00 0.00 O ATOM 0 H TYR A 5 0.833 1.000 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 5 2.290 0.985 -3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.389 3.014 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.621 2.877 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.067 3.720 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.239 3.718 -4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.244 5.194 -3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.930 5.185 -6.322 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.422 5.930 -5.676 1.00 0.00 H new ATOM 99 N GLY A 6 3.688 -0.694 -2.416 1.00 0.00 N ATOM 100 CA GLY A 6 4.637 -1.566 -1.772 1.00 0.00 C ATOM 101 C GLY A 6 5.359 -2.451 -2.761 1.00 0.00 C ATOM 102 O GLY A 6 5.690 -2.026 -3.868 1.00 0.00 O ATOM 0 H GLY A 6 3.392 -0.993 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.364 -0.967 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.120 -2.187 -1.041 1.00 0.00 H new ATOM 106 N TYR A 7 5.606 -3.684 -2.359 1.00 0.00 N ATOM 107 CA TYR A 7 6.293 -4.636 -3.198 1.00 0.00 C ATOM 108 C TYR A 7 5.378 -5.798 -3.560 1.00 0.00 C ATOM 109 O TYR A 7 4.548 -6.215 -2.754 1.00 0.00 O ATOM 110 CB TYR A 7 7.522 -5.141 -2.462 1.00 0.00 C ATOM 111 CG TYR A 7 8.408 -4.021 -1.977 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.198 -3.312 -2.866 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.441 -3.663 -0.636 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.001 -2.279 -2.437 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.243 -2.629 -0.197 1.00 0.00 C ATOM 116 CZ TYR A 7 10.021 -1.941 -1.102 1.00 0.00 C ATOM 117 OH TYR A 7 10.822 -0.912 -0.668 1.00 0.00 O ATOM 0 H TYR A 7 5.336 -4.048 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 7 6.593 -4.148 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.208 -5.746 -1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.094 -5.792 -3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.184 -3.574 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.830 -4.201 0.074 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.612 -1.737 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.260 -2.361 0.849 1.00 0.00 H new ATOM 0 HH TYR A 7 10.904 -0.240 -1.377 1.00 0.00 H new ATOM 127 N ASP A 8 5.531 -6.321 -4.769 1.00 0.00 N ATOM 128 CA ASP A 8 4.712 -7.440 -5.217 1.00 0.00 C ATOM 129 C ASP A 8 5.530 -8.727 -5.230 1.00 0.00 C ATOM 130 O ASP A 8 5.256 -9.644 -6.006 1.00 0.00 O ATOM 131 CB ASP A 8 4.139 -7.164 -6.610 1.00 0.00 C ATOM 132 CG ASP A 8 2.817 -7.870 -6.839 1.00 0.00 C ATOM 133 OD1 ASP A 8 2.699 -9.052 -6.448 1.00 0.00 O ATOM 134 OD2 ASP A 8 1.898 -7.244 -7.409 1.00 0.00 O ATOM 0 H ASP A 8 6.211 -5.991 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 8 3.884 -7.559 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.002 -6.090 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.856 -7.486 -7.366 1.00 0.00 H new ATOM 139 N SER A 9 6.543 -8.785 -4.366 1.00 0.00 N ATOM 140 CA SER A 9 7.414 -9.952 -4.272 1.00 0.00 C ATOM 141 C SER A 9 8.198 -10.166 -5.567 1.00 0.00 C ATOM 142 O SER A 9 8.836 -11.201 -5.751 1.00 0.00 O ATOM 143 CB SER A 9 6.593 -11.201 -3.941 1.00 0.00 C ATOM 144 OG SER A 9 6.099 -11.819 -5.118 1.00 0.00 O ATOM 0 H SER A 9 6.780 -8.033 -3.719 1.00 0.00 H new ATOM 0 HA SER A 9 8.130 -9.772 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.210 -11.909 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.760 -10.930 -3.293 1.00 0.00 H new ATOM 0 HG SER A 9 5.423 -11.242 -5.532 1.00 0.00 H new ATOM 150 N ASN A 10 8.151 -9.181 -6.460 1.00 0.00 N ATOM 151 CA ASN A 10 8.859 -9.265 -7.729 1.00 0.00 C ATOM 152 C ASN A 10 10.300 -8.785 -7.581 1.00 0.00 C ATOM 153 O ASN A 10 11.244 -9.550 -7.776 1.00 0.00 O ATOM 154 CB ASN A 10 8.135 -8.430 -8.786 1.00 0.00 C ATOM 155 CG ASN A 10 8.525 -8.812 -10.202 1.00 0.00 C ATOM 156 OD1 ASN A 10 9.670 -8.629 -10.614 1.00 0.00 O ATOM 157 ND2 ASN A 10 7.569 -9.343 -10.958 1.00 0.00 N ATOM 0 H ASN A 10 7.629 -8.315 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 10 8.877 -10.308 -8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.059 -8.552 -8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.357 -7.375 -8.624 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.772 -9.616 -11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.633 -9.477 -10.576 1.00 0.00 H new ATOM 164 N ILE A 11 10.458 -7.505 -7.252 1.00 0.00 N ATOM 165 CA ILE A 11 11.781 -6.910 -7.098 1.00 0.00 C ATOM 166 C ILE A 11 12.238 -6.879 -5.643 1.00 0.00 C ATOM 167 O ILE A 11 13.425 -6.709 -5.368 1.00 0.00 O ATOM 168 CB ILE A 11 11.815 -5.471 -7.650 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.114 -5.407 -9.010 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.250 -4.976 -7.757 1.00 0.00 C ATOM 171 CD1 ILE A 11 11.771 -6.264 -10.069 1.00 0.00 C ATOM 0 H ILE A 11 9.685 -6.860 -7.087 1.00 0.00 H new ATOM 0 HA ILE A 11 12.461 -7.544 -7.667 1.00 0.00 H new ATOM 0 HB ILE A 11 11.282 -4.819 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.077 -5.722 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.095 -4.372 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.256 -3.959 -8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.714 -4.988 -6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.810 -5.626 -8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.222 -6.170 -11.006 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.800 -5.935 -10.217 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.766 -7.306 -9.749 1.00 0.00 H new ATOM 183 N HIS A 12 11.303 -7.031 -4.712 1.00 0.00 N ATOM 184 CA HIS A 12 11.644 -7.003 -3.299 1.00 0.00 C ATOM 185 C HIS A 12 10.649 -7.807 -2.463 1.00 0.00 C ATOM 186 O HIS A 12 9.530 -8.079 -2.898 1.00 0.00 O ATOM 187 CB HIS A 12 11.690 -5.560 -2.803 1.00 0.00 C ATOM 188 CG HIS A 12 12.445 -5.388 -1.523 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.729 -5.850 -1.318 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.069 -4.789 -0.364 1.00 0.00 C ATOM 191 CE1 HIS A 12 14.082 -5.526 -0.065 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.112 -4.881 0.554 1.00 0.00 N ATOM 0 H HIS A 12 10.313 -7.173 -4.910 1.00 0.00 H new ATOM 0 HA HIS A 12 12.626 -7.462 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.147 -4.936 -3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.671 -5.200 -2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.115 -4.317 -0.183 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.037 -5.763 0.380 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.124 -4.523 1.509 1.00 0.00 H new ATOM 200 N LYS A 13 11.072 -8.181 -1.256 1.00 0.00 N ATOM 201 CA LYS A 13 10.230 -8.951 -0.339 1.00 0.00 C ATOM 202 C LYS A 13 8.820 -8.360 -0.254 1.00 0.00 C ATOM 203 O LYS A 13 8.615 -7.181 -0.543 1.00 0.00 O ATOM 204 CB LYS A 13 10.867 -8.989 1.054 1.00 0.00 C ATOM 205 CG LYS A 13 10.432 -10.179 1.895 1.00 0.00 C ATOM 206 CD LYS A 13 11.543 -11.208 2.024 1.00 0.00 C ATOM 207 CE LYS A 13 11.067 -12.454 2.753 1.00 0.00 C ATOM 208 NZ LYS A 13 11.709 -12.593 4.089 1.00 0.00 N ATOM 0 H LYS A 13 11.998 -7.962 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 13 10.150 -9.967 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.952 -9.009 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.615 -8.070 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.136 -9.836 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.555 -10.644 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.904 -11.481 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.385 -10.771 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.984 -12.414 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.288 -13.335 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.359 -13.454 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.741 -12.657 3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.477 -11.765 4.674 1.00 0.00 H new ATOM 222 N CYS A 14 7.855 -9.190 0.139 1.00 0.00 N ATOM 223 CA CYS A 14 6.464 -8.753 0.257 1.00 0.00 C ATOM 224 C CYS A 14 5.708 -9.598 1.285 1.00 0.00 C ATOM 225 O CYS A 14 4.830 -10.384 0.931 1.00 0.00 O ATOM 226 CB CYS A 14 5.774 -8.841 -1.107 1.00 0.00 C ATOM 227 SG CYS A 14 3.989 -8.477 -1.076 1.00 0.00 S ATOM 0 H CYS A 14 8.010 -10.169 0.381 1.00 0.00 H new ATOM 0 HA CYS A 14 6.457 -7.718 0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.261 -8.147 -1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.921 -9.843 -1.510 1.00 0.00 H new ATOM 232 N VAL A 15 6.058 -9.434 2.558 1.00 0.00 N ATOM 233 CA VAL A 15 5.415 -10.186 3.635 1.00 0.00 C ATOM 234 C VAL A 15 4.221 -9.442 4.222 1.00 0.00 C ATOM 235 O VAL A 15 3.177 -10.038 4.490 1.00 0.00 O ATOM 236 CB VAL A 15 6.409 -10.506 4.765 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.519 -11.408 4.253 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.980 -9.225 5.358 1.00 0.00 C ATOM 0 H VAL A 15 6.783 -8.788 2.870 1.00 0.00 H new ATOM 0 HA VAL A 15 5.061 -11.115 3.187 1.00 0.00 H new ATOM 0 HB VAL A 15 5.876 -11.034 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.214 -11.625 5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.090 -12.339 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.051 -10.907 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.680 -9.474 6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.499 -8.664 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.170 -8.619 5.763 1.00 0.00 H new ATOM 248 N TYR A 16 4.387 -8.143 4.436 1.00 0.00 N ATOM 249 CA TYR A 16 3.331 -7.318 5.009 1.00 0.00 C ATOM 250 C TYR A 16 2.183 -7.115 4.022 1.00 0.00 C ATOM 251 O TYR A 16 1.054 -6.828 4.421 1.00 0.00 O ATOM 252 CB TYR A 16 3.901 -5.965 5.435 1.00 0.00 C ATOM 253 CG TYR A 16 3.861 -5.739 6.929 1.00 0.00 C ATOM 254 CD1 TYR A 16 4.910 -6.148 7.740 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.773 -5.118 7.526 1.00 0.00 C ATOM 256 CE1 TYR A 16 4.876 -5.944 9.108 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.730 -4.910 8.890 1.00 0.00 C ATOM 258 CZ TYR A 16 3.784 -5.324 9.677 1.00 0.00 C ATOM 259 OH TYR A 16 3.746 -5.117 11.037 1.00 0.00 O ATOM 0 H TYR A 16 5.246 -7.637 4.221 1.00 0.00 H new ATOM 0 HA TYR A 16 2.934 -7.837 5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.933 -5.889 5.091 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.341 -5.171 4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.767 -6.633 7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.946 -4.792 6.913 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.700 -6.268 9.726 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.875 -4.426 9.338 1.00 0.00 H new ATOM 0 HH TYR A 16 2.909 -4.668 11.276 1.00 0.00 H new ATOM 269 N CYS A 17 2.475 -7.271 2.736 1.00 0.00 N ATOM 270 CA CYS A 17 1.451 -7.104 1.706 1.00 0.00 C ATOM 271 C CYS A 17 0.671 -8.397 1.508 1.00 0.00 C ATOM 272 O CYS A 17 -0.554 -8.381 1.392 1.00 0.00 O ATOM 273 CB CYS A 17 2.050 -6.633 0.369 1.00 0.00 C ATOM 274 SG CYS A 17 3.849 -6.889 0.180 1.00 0.00 S ATOM 0 H CYS A 17 3.401 -7.510 2.382 1.00 0.00 H new ATOM 0 HA CYS A 17 0.769 -6.328 2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.539 -7.153 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.837 -5.571 0.250 1.00 0.00 H new ATOM 279 N ASP A 18 1.382 -9.520 1.483 1.00 0.00 N ATOM 280 CA ASP A 18 0.740 -10.819 1.309 1.00 0.00 C ATOM 281 C ASP A 18 -0.386 -10.996 2.323 1.00 0.00 C ATOM 282 O ASP A 18 -1.389 -11.654 2.046 1.00 0.00 O ATOM 283 CB ASP A 18 1.764 -11.945 1.462 1.00 0.00 C ATOM 284 CG ASP A 18 1.162 -13.311 1.194 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.898 -13.621 0.014 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.954 -14.068 2.164 1.00 0.00 O ATOM 0 H ASP A 18 2.397 -9.558 1.580 1.00 0.00 H new ATOM 0 HA ASP A 18 0.318 -10.862 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.593 -11.775 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.176 -11.924 2.471 1.00 0.00 H new ATOM 291 N ASN A 19 -0.213 -10.394 3.496 1.00 0.00 N ATOM 292 CA ASN A 19 -1.212 -10.473 4.552 1.00 0.00 C ATOM 293 C ASN A 19 -2.365 -9.512 4.275 1.00 0.00 C ATOM 294 O ASN A 19 -3.522 -9.923 4.204 1.00 0.00 O ATOM 295 CB ASN A 19 -0.580 -10.159 5.909 1.00 0.00 C ATOM 296 CG ASN A 19 0.504 -11.151 6.284 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.351 -12.357 6.093 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.610 -10.646 6.822 1.00 0.00 N ATOM 0 H ASN A 19 0.612 -9.845 3.738 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.605 -11.489 4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.158 -9.154 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.354 -10.162 6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.373 -11.265 7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.695 -9.639 6.963 1.00 0.00 H new ATOM 305 N ALA A 20 -2.043 -8.230 4.114 1.00 0.00 N ATOM 306 CA ALA A 20 -3.059 -7.218 3.841 1.00 0.00 C ATOM 307 C ALA A 20 -3.882 -7.585 2.610 1.00 0.00 C ATOM 308 O ALA A 20 -5.109 -7.492 2.620 1.00 0.00 O ATOM 309 CB ALA A 20 -2.413 -5.852 3.658 1.00 0.00 C ATOM 0 H ALA A 20 -1.090 -7.869 4.168 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.732 -7.176 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.184 -5.109 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.876 -5.579 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.715 -5.889 2.821 1.00 0.00 H new ATOM 315 N LYS A 21 -3.199 -8.009 1.553 1.00 0.00 N ATOM 316 CA LYS A 21 -3.869 -8.396 0.316 1.00 0.00 C ATOM 317 C LYS A 21 -4.854 -9.533 0.572 1.00 0.00 C ATOM 318 O LYS A 21 -5.992 -9.497 0.104 1.00 0.00 O ATOM 319 CB LYS A 21 -2.841 -8.818 -0.734 1.00 0.00 C ATOM 320 CG LYS A 21 -3.444 -9.093 -2.102 1.00 0.00 C ATOM 321 CD LYS A 21 -2.371 -9.170 -3.177 1.00 0.00 C ATOM 322 CE LYS A 21 -1.470 -10.378 -2.980 1.00 0.00 C ATOM 323 NZ LYS A 21 -0.149 -10.202 -3.643 1.00 0.00 N ATOM 0 H LYS A 21 -2.183 -8.094 1.527 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.423 -7.535 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.089 -8.035 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.326 -9.714 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.001 -10.030 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.156 -8.306 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.841 -9.222 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.771 -8.260 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.321 -10.549 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.961 -11.265 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.435 -11.048 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.289 -10.064 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.331 -9.370 -3.244 1.00 0.00 H new ATOM 337 N ARG A 22 -4.410 -10.538 1.322 1.00 0.00 N ATOM 338 CA ARG A 22 -5.259 -11.680 1.642 1.00 0.00 C ATOM 339 C ARG A 22 -6.462 -11.238 2.467 1.00 0.00 C ATOM 340 O ARG A 22 -7.570 -11.745 2.292 1.00 0.00 O ATOM 341 CB ARG A 22 -4.463 -12.741 2.404 1.00 0.00 C ATOM 342 CG ARG A 22 -4.755 -14.161 1.948 1.00 0.00 C ATOM 343 CD ARG A 22 -6.096 -14.649 2.471 1.00 0.00 C ATOM 344 NE ARG A 22 -6.041 -14.980 3.892 1.00 0.00 N ATOM 345 CZ ARG A 22 -5.531 -16.113 4.370 1.00 0.00 C ATOM 346 NH1 ARG A 22 -5.033 -17.024 3.544 1.00 0.00 N ATOM 347 NH2 ARG A 22 -5.518 -16.335 5.677 1.00 0.00 N ATOM 0 H ARG A 22 -3.471 -10.584 1.718 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.616 -12.112 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.398 -12.541 2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.685 -12.656 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.751 -14.203 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.964 -14.826 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.851 -13.880 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.408 -15.527 1.906 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.415 -14.304 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.040 -16.858 2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.643 -17.890 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.899 -15.638 6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.127 -17.203 6.043 1.00 0.00 H new ATOM 361 N LEU A 23 -6.236 -10.279 3.362 1.00 0.00 N ATOM 362 CA LEU A 23 -7.300 -9.755 4.210 1.00 0.00 C ATOM 363 C LEU A 23 -8.443 -9.221 3.353 1.00 0.00 C ATOM 364 O LEU A 23 -9.599 -9.605 3.527 1.00 0.00 O ATOM 365 CB LEU A 23 -6.749 -8.647 5.119 1.00 0.00 C ATOM 366 CG LEU A 23 -7.788 -7.685 5.704 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.259 -7.040 6.975 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.165 -6.618 4.684 1.00 0.00 C ATOM 0 H LEU A 23 -5.324 -9.850 3.518 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.684 -10.562 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.210 -9.114 5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.022 -8.066 4.551 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.683 -8.256 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.010 -6.360 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.038 -7.813 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.349 -6.484 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.904 -5.944 5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.277 -6.051 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.585 -7.094 3.798 1.00 0.00 H new ATOM 380 N LEU A 24 -8.104 -8.339 2.418 1.00 0.00 N ATOM 381 CA LEU A 24 -9.095 -7.753 1.525 1.00 0.00 C ATOM 382 C LEU A 24 -9.852 -8.842 0.776 1.00 0.00 C ATOM 383 O LEU A 24 -11.078 -8.801 0.669 1.00 0.00 O ATOM 384 CB LEU A 24 -8.419 -6.808 0.532 1.00 0.00 C ATOM 385 CG LEU A 24 -7.940 -5.484 1.126 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.649 -5.039 0.463 1.00 0.00 C ATOM 387 CD2 LEU A 24 -9.008 -4.417 0.976 1.00 0.00 C ATOM 0 H LEU A 24 -7.150 -8.015 2.260 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.806 -7.186 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.565 -7.321 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.118 -6.595 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.748 -5.634 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.323 -4.095 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.880 -5.795 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.816 -4.907 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.650 -3.481 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.230 -4.271 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.912 -4.732 1.497 1.00 0.00 H new ATOM 399 N THR A 25 -9.112 -9.826 0.268 1.00 0.00 N ATOM 400 CA THR A 25 -9.717 -10.934 -0.458 1.00 0.00 C ATOM 401 C THR A 25 -10.727 -11.650 0.432 1.00 0.00 C ATOM 402 O THR A 25 -11.799 -12.053 -0.021 1.00 0.00 O ATOM 403 CB THR A 25 -8.641 -11.916 -0.924 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.597 -11.234 -1.597 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.168 -12.984 -1.857 1.00 0.00 C ATOM 0 H THR A 25 -8.096 -9.876 0.347 1.00 0.00 H new ATOM 0 HA THR A 25 -10.231 -10.539 -1.334 1.00 0.00 H new ATOM 0 HB THR A 25 -8.278 -12.398 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.013 -10.801 -0.940 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.353 -13.646 -2.149 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.941 -13.561 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.590 -12.515 -2.746 1.00 0.00 H new ATOM 413 N VAL A 26 -10.377 -11.787 1.708 1.00 0.00 N ATOM 414 CA VAL A 26 -11.246 -12.437 2.681 1.00 0.00 C ATOM 415 C VAL A 26 -12.428 -11.538 3.028 1.00 0.00 C ATOM 416 O VAL A 26 -13.558 -12.006 3.171 1.00 0.00 O ATOM 417 CB VAL A 26 -10.476 -12.781 3.972 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.369 -13.531 4.948 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.229 -13.591 3.650 1.00 0.00 C ATOM 0 H VAL A 26 -9.493 -11.454 2.092 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.610 -13.360 2.230 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.166 -11.849 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.806 -13.764 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.228 -12.911 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.715 -14.457 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.698 -13.825 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.515 -14.517 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.579 -13.012 2.994 1.00 0.00 H new ATOM 429 N LYS A 27 -12.156 -10.243 3.157 1.00 0.00 N ATOM 430 CA LYS A 27 -13.193 -9.270 3.477 1.00 0.00 C ATOM 431 C LYS A 27 -14.113 -9.036 2.279 1.00 0.00 C ATOM 432 O LYS A 27 -15.153 -8.388 2.403 1.00 0.00 O ATOM 433 CB LYS A 27 -12.559 -7.943 3.909 1.00 0.00 C ATOM 434 CG LYS A 27 -12.551 -7.725 5.415 1.00 0.00 C ATOM 435 CD LYS A 27 -11.154 -7.875 5.994 1.00 0.00 C ATOM 436 CE LYS A 27 -11.181 -8.583 7.340 1.00 0.00 C ATOM 437 NZ LYS A 27 -11.555 -10.018 7.205 1.00 0.00 N ATOM 0 H LYS A 27 -11.224 -9.843 3.044 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.788 -9.670 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.534 -7.904 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.099 -7.123 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.934 -6.730 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.221 -8.441 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.529 -8.436 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.699 -6.891 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.201 -8.506 7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.891 -8.083 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.243 -10.539 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.587 -10.100 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.096 -10.419 6.362 1.00 0.00 H new ATOM 451 N LYS A 28 -13.723 -9.560 1.117 1.00 0.00 N ATOM 452 CA LYS A 28 -14.511 -9.400 -0.101 1.00 0.00 C ATOM 453 C LYS A 28 -14.472 -7.950 -0.572 1.00 0.00 C ATOM 454 O LYS A 28 -15.510 -7.345 -0.847 1.00 0.00 O ATOM 455 CB LYS A 28 -15.960 -9.838 0.132 1.00 0.00 C ATOM 456 CG LYS A 28 -16.629 -10.411 -1.107 1.00 0.00 C ATOM 457 CD LYS A 28 -16.629 -11.930 -1.090 1.00 0.00 C ATOM 458 CE LYS A 28 -15.216 -12.488 -1.152 1.00 0.00 C ATOM 459 NZ LYS A 28 -15.207 -13.977 -1.182 1.00 0.00 N ATOM 0 H LYS A 28 -12.866 -10.099 0.995 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.077 -10.033 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.982 -10.585 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.537 -8.983 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.655 -10.047 -1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.111 -10.056 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.122 -12.285 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.207 -12.304 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.713 -12.104 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.650 -12.139 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.225 -14.317 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.664 -14.344 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.725 -14.310 -2.020 1.00 0.00 H new ATOM 473 N GLN A 29 -13.267 -7.396 -0.660 1.00 0.00 N ATOM 474 CA GLN A 29 -13.093 -6.017 -1.089 1.00 0.00 C ATOM 475 C GLN A 29 -11.911 -5.876 -2.044 1.00 0.00 C ATOM 476 O GLN A 29 -10.760 -6.039 -1.640 1.00 0.00 O ATOM 477 CB GLN A 29 -12.878 -5.109 0.125 1.00 0.00 C ATOM 478 CG GLN A 29 -14.171 -4.674 0.795 1.00 0.00 C ATOM 479 CD GLN A 29 -14.561 -3.252 0.440 1.00 0.00 C ATOM 480 OE1 GLN A 29 -15.025 -2.492 1.290 1.00 0.00 O ATOM 481 NE2 GLN A 29 -14.377 -2.885 -0.823 1.00 0.00 N ATOM 0 H GLN A 29 -12.398 -7.883 -0.440 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.999 -5.718 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.259 -5.631 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.324 -4.223 -0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.973 -5.351 0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.062 -4.758 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.989 -3.547 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.623 -1.941 -1.121 1.00 0.00 H new ATOM 490 N PRO A 30 -12.172 -5.557 -3.325 1.00 0.00 N ATOM 491 CA PRO A 30 -11.111 -5.377 -4.320 1.00 0.00 C ATOM 492 C PRO A 30 -10.025 -4.442 -3.816 1.00 0.00 C ATOM 493 O PRO A 30 -10.117 -3.914 -2.709 1.00 0.00 O ATOM 494 CB PRO A 30 -11.842 -4.727 -5.496 1.00 0.00 C ATOM 495 CG PRO A 30 -13.238 -5.218 -5.380 1.00 0.00 C ATOM 496 CD PRO A 30 -13.512 -5.330 -3.904 1.00 0.00 C ATOM 0 HA PRO A 30 -10.613 -6.315 -4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.797 -3.639 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.397 -5.015 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.936 -4.529 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.356 -6.183 -5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.972 -4.423 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.191 -6.154 -3.682 1.00 0.00 H new ATOM 504 N PHE A 31 -9.010 -4.217 -4.636 1.00 0.00 N ATOM 505 CA PHE A 31 -7.939 -3.306 -4.266 1.00 0.00 C ATOM 506 C PHE A 31 -7.101 -2.913 -5.478 1.00 0.00 C ATOM 507 O PHE A 31 -7.230 -3.495 -6.556 1.00 0.00 O ATOM 508 CB PHE A 31 -7.054 -3.914 -3.185 1.00 0.00 C ATOM 509 CG PHE A 31 -6.705 -5.338 -3.449 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.626 -6.337 -3.208 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.464 -5.675 -3.948 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.317 -7.654 -3.457 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.142 -6.991 -4.200 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.071 -7.987 -3.954 1.00 0.00 C ATOM 0 H PHE A 31 -8.906 -4.649 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.402 -2.403 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.137 -3.330 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.563 -3.843 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.601 -6.082 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.738 -4.900 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.047 -8.427 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.167 -7.245 -4.589 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.823 -9.020 -4.150 1.00 0.00 H new ATOM 524 N GLU A 32 -6.232 -1.933 -5.281 1.00 0.00 N ATOM 525 CA GLU A 32 -5.344 -1.457 -6.341 1.00 0.00 C ATOM 526 C GLU A 32 -3.918 -1.291 -5.815 1.00 0.00 C ATOM 527 O GLU A 32 -3.640 -0.399 -5.022 1.00 0.00 O ATOM 528 CB GLU A 32 -5.851 -0.127 -6.903 1.00 0.00 C ATOM 529 CG GLU A 32 -5.264 0.221 -8.262 1.00 0.00 C ATOM 530 CD GLU A 32 -6.303 0.754 -9.231 1.00 0.00 C ATOM 531 OE1 GLU A 32 -7.511 0.556 -8.977 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.908 1.369 -10.243 1.00 0.00 O ATOM 0 H GLU A 32 -6.120 -1.446 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.337 -2.199 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.937 -0.167 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.613 0.670 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.478 0.965 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.797 -0.666 -8.689 1.00 0.00 H new ATOM 539 N PHE A 33 -3.023 -2.168 -6.258 1.00 0.00 N ATOM 540 CA PHE A 33 -1.628 -2.139 -5.833 1.00 0.00 C ATOM 541 C PHE A 33 -0.766 -1.304 -6.774 1.00 0.00 C ATOM 542 O PHE A 33 -1.127 -1.065 -7.926 1.00 0.00 O ATOM 543 CB PHE A 33 -1.095 -3.570 -5.785 1.00 0.00 C ATOM 544 CG PHE A 33 0.038 -3.771 -4.829 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.200 -3.851 -3.472 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.337 -3.886 -5.290 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.841 -4.042 -2.584 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.383 -4.075 -4.408 1.00 0.00 C ATOM 549 CZ PHE A 33 2.135 -4.154 -3.052 1.00 0.00 C ATOM 0 H PHE A 33 -3.242 -2.914 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.580 -1.679 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.910 -4.240 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.768 -3.858 -6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.210 -3.763 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.535 -3.827 -6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.643 -4.104 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.394 -4.161 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.951 -4.303 -2.360 1.00 0.00 H new ATOM 559 N ILE A 34 0.388 -0.878 -6.266 1.00 0.00 N ATOM 560 CA ILE A 34 1.335 -0.085 -7.038 1.00 0.00 C ATOM 561 C ILE A 34 2.754 -0.356 -6.561 1.00 0.00 C ATOM 562 O ILE A 34 3.072 -0.188 -5.384 1.00 0.00 O ATOM 563 CB ILE A 34 1.061 1.424 -6.925 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.427 1.715 -7.113 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.888 2.190 -7.947 1.00 0.00 C ATOM 566 CD1 ILE A 34 -0.813 3.134 -6.765 1.00 0.00 C ATOM 0 H ILE A 34 0.690 -1.073 -5.311 1.00 0.00 H new ATOM 0 HA ILE A 34 1.216 -0.379 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 34 1.351 1.754 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.700 1.517 -8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.004 1.028 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.683 3.257 -7.855 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.948 2.007 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.626 1.856 -8.951 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.883 3.269 -6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.572 3.331 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.263 3.827 -7.401 1.00 0.00 H new ATOM 578 N ASN A 35 3.595 -0.783 -7.484 1.00 0.00 N ATOM 579 CA ASN A 35 4.987 -1.092 -7.174 1.00 0.00 C ATOM 580 C ASN A 35 5.829 0.177 -7.108 1.00 0.00 C ATOM 581 O ASN A 35 5.871 0.954 -8.062 1.00 0.00 O ATOM 582 CB ASN A 35 5.564 -2.047 -8.220 1.00 0.00 C ATOM 583 CG ASN A 35 6.479 -3.090 -7.610 1.00 0.00 C ATOM 584 OD1 ASN A 35 6.087 -3.823 -6.702 1.00 0.00 O ATOM 585 ND2 ASN A 35 7.708 -3.161 -8.107 1.00 0.00 N ATOM 0 H ASN A 35 3.341 -0.926 -8.461 1.00 0.00 H new ATOM 0 HA ASN A 35 5.015 -1.573 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.747 -2.545 -8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.116 -1.474 -8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.370 -3.843 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.991 -2.534 -8.860 1.00 0.00 H new ATOM 592 N ILE A 36 6.503 0.379 -5.981 1.00 0.00 N ATOM 593 CA ILE A 36 7.349 1.552 -5.800 1.00 0.00 C ATOM 594 C ILE A 36 8.771 1.289 -6.296 1.00 0.00 C ATOM 595 O ILE A 36 9.536 2.222 -6.541 1.00 0.00 O ATOM 596 CB ILE A 36 7.388 2.016 -4.323 1.00 0.00 C ATOM 597 CG1 ILE A 36 8.257 1.084 -3.459 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.976 2.110 -3.760 1.00 0.00 C ATOM 599 CD1 ILE A 36 7.621 -0.257 -3.160 1.00 0.00 C ATOM 0 H ILE A 36 6.480 -0.253 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 36 6.907 2.351 -6.396 1.00 0.00 H new ATOM 0 HB ILE A 36 7.843 3.006 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.207 0.918 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.482 1.585 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.020 2.437 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.399 2.828 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.497 1.132 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.298 -0.852 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.685 -0.104 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.422 -0.782 -4.094 1.00 0.00 H new ATOM 611 N MET A 37 9.118 0.013 -6.445 1.00 0.00 N ATOM 612 CA MET A 37 10.442 -0.365 -6.913 1.00 0.00 C ATOM 613 C MET A 37 10.342 -1.277 -8.136 1.00 0.00 C ATOM 614 O MET A 37 10.407 -2.501 -8.017 1.00 0.00 O ATOM 615 CB MET A 37 11.228 -1.053 -5.786 1.00 0.00 C ATOM 616 CG MET A 37 12.449 -1.838 -6.256 1.00 0.00 C ATOM 617 SD MET A 37 13.988 -1.270 -5.501 1.00 0.00 S ATOM 618 CE MET A 37 13.550 -1.278 -3.764 1.00 0.00 C ATOM 0 H MET A 37 8.499 -0.773 -6.248 1.00 0.00 H new ATOM 0 HA MET A 37 10.977 0.538 -7.207 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.551 -0.296 -5.071 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.559 -1.730 -5.254 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.306 -2.894 -6.025 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.531 -1.757 -7.340 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.788 -0.310 -3.324 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.483 -1.472 -3.659 1.00 0.00 H new ATOM 0 HE3 MET A 37 14.112 -2.058 -3.251 1.00 0.00 H new ATOM 628 N PRO A 38 10.185 -0.686 -9.333 1.00 0.00 N ATOM 629 CA PRO A 38 10.088 -1.446 -10.583 1.00 0.00 C ATOM 630 C PRO A 38 11.424 -2.071 -10.968 1.00 0.00 C ATOM 631 O PRO A 38 11.493 -2.935 -11.842 1.00 0.00 O ATOM 632 CB PRO A 38 9.674 -0.391 -11.609 1.00 0.00 C ATOM 633 CG PRO A 38 10.192 0.893 -11.060 1.00 0.00 C ATOM 634 CD PRO A 38 10.104 0.767 -9.562 1.00 0.00 C ATOM 0 HA PRO A 38 9.388 -2.278 -10.509 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.100 -0.603 -12.589 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.591 -0.361 -11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.220 1.067 -11.378 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.601 1.737 -11.416 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.917 1.297 -9.066 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.172 1.182 -9.178 1.00 0.00 H new ATOM 642 N GLU A 39 12.482 -1.625 -10.299 1.00 0.00 N ATOM 643 CA GLU A 39 13.822 -2.129 -10.546 1.00 0.00 C ATOM 644 C GLU A 39 14.563 -2.297 -9.229 1.00 0.00 C ATOM 645 O GLU A 39 14.490 -1.435 -8.355 1.00 0.00 O ATOM 646 CB GLU A 39 14.590 -1.176 -11.466 1.00 0.00 C ATOM 647 CG GLU A 39 14.318 -1.406 -12.943 1.00 0.00 C ATOM 648 CD GLU A 39 15.588 -1.438 -13.771 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.562 -0.755 -13.391 1.00 0.00 O ATOM 650 OE2 GLU A 39 15.609 -2.145 -14.802 1.00 0.00 O ATOM 0 H GLU A 39 12.432 -0.908 -9.575 1.00 0.00 H new ATOM 0 HA GLU A 39 13.747 -3.099 -11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.327 -0.149 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.658 -1.287 -11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.783 -2.348 -13.068 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.665 -0.617 -13.316 1.00 0.00 H new ATOM 657 N LYS A 40 15.276 -3.410 -9.085 1.00 0.00 N ATOM 658 CA LYS A 40 16.020 -3.678 -7.857 1.00 0.00 C ATOM 659 C LYS A 40 17.084 -2.623 -7.608 1.00 0.00 C ATOM 660 O LYS A 40 17.707 -2.581 -6.548 1.00 0.00 O ATOM 661 CB LYS A 40 16.640 -5.077 -7.888 1.00 0.00 C ATOM 662 CG LYS A 40 17.751 -5.232 -8.915 1.00 0.00 C ATOM 663 CD LYS A 40 17.302 -6.066 -10.105 1.00 0.00 C ATOM 664 CE LYS A 40 17.136 -7.530 -9.730 1.00 0.00 C ATOM 665 NZ LYS A 40 18.445 -8.234 -9.646 1.00 0.00 N ATOM 0 H LYS A 40 15.355 -4.136 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 40 15.312 -3.635 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.036 -5.311 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.858 -5.806 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.069 -4.248 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.617 -5.701 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.358 -5.678 -10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.032 -5.976 -10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.622 -7.603 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.505 -8.024 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.288 -9.229 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.924 -8.187 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.038 -7.779 -8.923 1.00 0.00 H new ATOM 679 N GLY A 41 17.269 -1.774 -8.592 1.00 0.00 N ATOM 680 CA GLY A 41 18.243 -0.710 -8.497 1.00 0.00 C ATOM 681 C GLY A 41 17.777 0.427 -7.609 1.00 0.00 C ATOM 682 O GLY A 41 18.422 0.740 -6.607 1.00 0.00 O ATOM 0 H GLY A 41 16.755 -1.800 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.178 -1.112 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.454 -0.325 -9.495 1.00 0.00 H new ATOM 686 N VAL A 42 16.661 1.058 -7.975 1.00 0.00 N ATOM 687 CA VAL A 42 16.136 2.176 -7.192 1.00 0.00 C ATOM 688 C VAL A 42 14.616 2.304 -7.307 1.00 0.00 C ATOM 689 O VAL A 42 14.005 1.795 -8.246 1.00 0.00 O ATOM 690 CB VAL A 42 16.779 3.506 -7.631 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.397 4.630 -6.681 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.292 3.367 -7.720 1.00 0.00 C ATOM 0 H VAL A 42 16.109 0.818 -8.798 1.00 0.00 H new ATOM 0 HA VAL A 42 16.388 1.965 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 42 16.400 3.756 -8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.862 5.559 -7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.314 4.749 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.741 4.389 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.727 4.317 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.690 3.088 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.544 2.596 -8.448 1.00 0.00 H new ATOM 702 N PHE A 43 14.019 3.006 -6.343 1.00 0.00 N ATOM 703 CA PHE A 43 12.575 3.237 -6.324 1.00 0.00 C ATOM 704 C PHE A 43 12.134 3.987 -7.581 1.00 0.00 C ATOM 705 O PHE A 43 12.964 4.486 -8.340 1.00 0.00 O ATOM 706 CB PHE A 43 12.193 4.062 -5.090 1.00 0.00 C ATOM 707 CG PHE A 43 11.701 3.254 -3.920 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.098 1.938 -3.739 1.00 0.00 C ATOM 709 CD2 PHE A 43 10.844 3.823 -2.992 1.00 0.00 C ATOM 710 CE1 PHE A 43 11.648 1.207 -2.656 1.00 0.00 C ATOM 711 CE2 PHE A 43 10.390 3.097 -1.909 1.00 0.00 C ATOM 712 CZ PHE A 43 10.793 1.789 -1.739 1.00 0.00 C ATOM 0 H PHE A 43 14.518 3.427 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 43 12.075 2.269 -6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.061 4.641 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.419 4.775 -5.372 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.766 1.479 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.527 4.848 -3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.964 0.182 -2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.720 3.553 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.441 1.220 -0.891 1.00 0.00 H new ATOM 722 N ASP A 44 10.821 4.085 -7.780 1.00 0.00 N ATOM 723 CA ASP A 44 10.269 4.796 -8.932 1.00 0.00 C ATOM 724 C ASP A 44 9.815 6.196 -8.529 1.00 0.00 C ATOM 725 O ASP A 44 8.710 6.378 -8.020 1.00 0.00 O ATOM 726 CB ASP A 44 9.091 4.020 -9.527 1.00 0.00 C ATOM 727 CG ASP A 44 8.521 4.685 -10.766 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.910 5.837 -11.056 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.686 4.055 -11.447 1.00 0.00 O ATOM 0 H ASP A 44 10.120 3.681 -7.159 1.00 0.00 H new ATOM 0 HA ASP A 44 11.052 4.882 -9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.415 3.010 -9.778 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.306 3.926 -8.776 1.00 0.00 H new ATOM 734 N ASP A 45 10.673 7.184 -8.764 1.00 0.00 N ATOM 735 CA ASP A 45 10.363 8.571 -8.423 1.00 0.00 C ATOM 736 C ASP A 45 8.980 8.970 -8.930 1.00 0.00 C ATOM 737 O ASP A 45 8.276 9.755 -8.293 1.00 0.00 O ATOM 738 CB ASP A 45 11.422 9.508 -9.005 1.00 0.00 C ATOM 739 CG ASP A 45 12.711 9.489 -8.207 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.756 10.134 -7.139 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.675 8.830 -8.651 1.00 0.00 O ATOM 0 H ASP A 45 11.590 7.051 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 45 10.365 8.657 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.631 9.220 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.029 10.524 -9.031 1.00 0.00 H new ATOM 746 N GLU A 46 8.595 8.426 -10.079 1.00 0.00 N ATOM 747 CA GLU A 46 7.295 8.728 -10.668 1.00 0.00 C ATOM 748 C GLU A 46 6.165 8.204 -9.786 1.00 0.00 C ATOM 749 O GLU A 46 5.306 8.968 -9.340 1.00 0.00 O ATOM 750 CB GLU A 46 7.190 8.120 -12.068 1.00 0.00 C ATOM 751 CG GLU A 46 8.235 8.644 -13.038 1.00 0.00 C ATOM 752 CD GLU A 46 7.705 8.775 -14.453 1.00 0.00 C ATOM 753 OE1 GLU A 46 7.372 7.737 -15.062 1.00 0.00 O ATOM 754 OE2 GLU A 46 7.622 9.918 -14.952 1.00 0.00 O ATOM 0 H GLU A 46 9.163 7.775 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 46 7.201 9.811 -10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.287 7.037 -11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.198 8.324 -12.470 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.588 9.616 -12.695 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.095 7.974 -13.037 1.00 0.00 H new ATOM 761 N LYS A 47 6.175 6.900 -9.534 1.00 0.00 N ATOM 762 CA LYS A 47 5.155 6.275 -8.701 1.00 0.00 C ATOM 763 C LYS A 47 5.166 6.873 -7.297 1.00 0.00 C ATOM 764 O LYS A 47 4.128 6.975 -6.645 1.00 0.00 O ATOM 765 CB LYS A 47 5.376 4.763 -8.632 1.00 0.00 C ATOM 766 CG LYS A 47 4.120 3.953 -8.912 1.00 0.00 C ATOM 767 CD LYS A 47 3.569 4.237 -10.301 1.00 0.00 C ATOM 768 CE LYS A 47 3.908 3.119 -11.274 1.00 0.00 C ATOM 769 NZ LYS A 47 4.154 3.635 -12.649 1.00 0.00 N ATOM 0 H LYS A 47 6.878 6.255 -9.895 1.00 0.00 H new ATOM 0 HA LYS A 47 4.181 6.467 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.147 4.483 -9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.753 4.504 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.343 2.890 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.362 4.186 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.487 4.358 -10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.977 5.178 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.792 2.587 -10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.091 2.398 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.382 2.842 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.302 4.120 -12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.950 4.304 -12.632 1.00 0.00 H new ATOM 783 N ILE A 48 6.348 7.272 -6.842 1.00 0.00 N ATOM 784 CA ILE A 48 6.495 7.865 -5.519 1.00 0.00 C ATOM 785 C ILE A 48 5.978 9.303 -5.516 1.00 0.00 C ATOM 786 O ILE A 48 5.498 9.797 -4.497 1.00 0.00 O ATOM 787 CB ILE A 48 7.972 7.832 -5.052 1.00 0.00 C ATOM 788 CG1 ILE A 48 8.303 6.466 -4.449 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.258 8.938 -4.042 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.679 5.423 -5.477 1.00 0.00 C ATOM 0 H ILE A 48 7.218 7.196 -7.370 1.00 0.00 H new ATOM 0 HA ILE A 48 5.902 7.273 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 48 8.605 8.001 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.125 6.580 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.443 6.111 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.302 8.888 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.060 9.908 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.616 8.810 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.900 4.481 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.850 5.279 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.559 5.756 -6.028 1.00 0.00 H new ATOM 802 N ALA A 49 6.073 9.967 -6.664 1.00 0.00 N ATOM 803 CA ALA A 49 5.611 11.344 -6.787 1.00 0.00 C ATOM 804 C ALA A 49 4.122 11.446 -6.484 1.00 0.00 C ATOM 805 O ALA A 49 3.707 12.224 -5.625 1.00 0.00 O ATOM 806 CB ALA A 49 5.909 11.878 -8.180 1.00 0.00 C ATOM 0 H ALA A 49 6.465 9.574 -7.520 1.00 0.00 H new ATOM 0 HA ALA A 49 6.147 11.951 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.559 12.907 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.984 11.846 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.399 11.264 -8.922 1.00 0.00 H new ATOM 812 N GLU A 50 3.321 10.651 -7.187 1.00 0.00 N ATOM 813 CA GLU A 50 1.878 10.655 -6.978 1.00 0.00 C ATOM 814 C GLU A 50 1.548 10.175 -5.568 1.00 0.00 C ATOM 815 O GLU A 50 0.609 10.662 -4.937 1.00 0.00 O ATOM 816 CB GLU A 50 1.180 9.773 -8.017 1.00 0.00 C ATOM 817 CG GLU A 50 1.445 8.287 -7.843 1.00 0.00 C ATOM 818 CD GLU A 50 1.333 7.519 -9.146 1.00 0.00 C ATOM 819 OE1 GLU A 50 2.346 7.425 -9.868 1.00 0.00 O ATOM 820 OE2 GLU A 50 0.231 7.013 -9.442 1.00 0.00 O ATOM 0 H GLU A 50 3.645 10.000 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 50 1.515 11.676 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.106 9.949 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.505 10.076 -9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.442 8.146 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.738 7.877 -7.122 1.00 0.00 H new ATOM 827 N LEU A 51 2.340 9.228 -5.078 1.00 0.00 N ATOM 828 CA LEU A 51 2.161 8.686 -3.740 1.00 0.00 C ATOM 829 C LEU A 51 2.349 9.798 -2.711 1.00 0.00 C ATOM 830 O LEU A 51 1.437 10.114 -1.949 1.00 0.00 O ATOM 831 CB LEU A 51 3.178 7.559 -3.521 1.00 0.00 C ATOM 832 CG LEU A 51 2.869 6.530 -2.427 1.00 0.00 C ATOM 833 CD1 LEU A 51 4.154 5.886 -1.945 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.105 7.126 -1.255 1.00 0.00 C ATOM 0 H LEU A 51 3.118 8.818 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 51 1.155 8.281 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.295 7.024 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.141 8.015 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 51 2.221 5.774 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.926 5.156 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.646 5.386 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.815 6.652 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.915 6.351 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.695 7.924 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.156 7.531 -1.607 1.00 0.00 H new ATOM 846 N LEU A 52 3.535 10.404 -2.720 1.00 0.00 N ATOM 847 CA LEU A 52 3.868 11.496 -1.817 1.00 0.00 C ATOM 848 C LEU A 52 2.748 12.523 -1.722 1.00 0.00 C ATOM 849 O LEU A 52 2.437 13.031 -0.645 1.00 0.00 O ATOM 850 CB LEU A 52 5.130 12.154 -2.299 1.00 0.00 C ATOM 851 CG LEU A 52 6.360 11.311 -2.048 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.548 11.966 -2.668 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.565 11.106 -0.559 1.00 0.00 C ATOM 0 H LEU A 52 4.291 10.149 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 52 4.010 11.084 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.045 12.356 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.246 13.116 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 52 6.225 10.330 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.434 11.358 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.389 12.066 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.689 12.954 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.454 10.497 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.692 12.073 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.696 10.600 -0.138 1.00 0.00 H new ATOM 865 N THR A 53 2.155 12.827 -2.867 1.00 0.00 N ATOM 866 CA THR A 53 1.071 13.801 -2.939 1.00 0.00 C ATOM 867 C THR A 53 -0.208 13.266 -2.299 1.00 0.00 C ATOM 868 O THR A 53 -1.002 14.028 -1.747 1.00 0.00 O ATOM 869 CB THR A 53 0.801 14.185 -4.394 1.00 0.00 C ATOM 870 OG1 THR A 53 1.977 14.680 -5.009 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.276 15.238 -4.546 1.00 0.00 C ATOM 0 H THR A 53 2.406 12.412 -3.764 1.00 0.00 H new ATOM 0 HA THR A 53 1.384 14.684 -2.382 1.00 0.00 H new ATOM 0 HB THR A 53 0.460 13.269 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.572 13.932 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.417 15.464 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.211 14.866 -4.126 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.023 16.143 -4.018 1.00 0.00 H new ATOM 879 N LYS A 54 -0.411 11.956 -2.392 1.00 0.00 N ATOM 880 CA LYS A 54 -1.604 11.327 -1.836 1.00 0.00 C ATOM 881 C LYS A 54 -1.650 11.447 -0.313 1.00 0.00 C ATOM 882 O LYS A 54 -2.691 11.769 0.259 1.00 0.00 O ATOM 883 CB LYS A 54 -1.671 9.855 -2.248 1.00 0.00 C ATOM 884 CG LYS A 54 -2.149 9.645 -3.676 1.00 0.00 C ATOM 885 CD LYS A 54 -2.192 8.169 -4.036 1.00 0.00 C ATOM 886 CE LYS A 54 -3.452 7.503 -3.507 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.564 7.550 -4.497 1.00 0.00 N ATOM 0 H LYS A 54 0.234 11.310 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.469 11.853 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.683 9.409 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.339 9.326 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.141 10.079 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.486 10.170 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.147 8.056 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.315 7.668 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.235 6.465 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.764 7.997 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.404 7.085 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.789 8.541 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.276 7.057 -5.366 1.00 0.00 H new ATOM 901 N LEU A 55 -0.523 11.182 0.342 1.00 0.00 N ATOM 902 CA LEU A 55 -0.459 11.259 1.800 1.00 0.00 C ATOM 903 C LEU A 55 -0.808 12.658 2.293 1.00 0.00 C ATOM 904 O LEU A 55 -1.489 12.819 3.306 1.00 0.00 O ATOM 905 CB LEU A 55 0.918 10.853 2.311 1.00 0.00 C ATOM 906 CG LEU A 55 1.506 9.637 1.611 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.447 10.088 0.530 1.00 0.00 C ATOM 908 CD2 LEU A 55 2.215 8.728 2.594 1.00 0.00 C ATOM 0 H LEU A 55 0.352 10.914 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.196 10.560 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.601 11.694 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.851 10.647 3.379 1.00 0.00 H new ATOM 0 HG LEU A 55 0.694 9.064 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.869 9.217 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.905 10.697 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.251 10.678 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.625 7.868 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.024 9.275 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.507 8.386 3.349 1.00 0.00 H new ATOM 920 N GLY A 56 -0.337 13.668 1.569 1.00 0.00 N ATOM 921 CA GLY A 56 -0.604 15.045 1.944 1.00 0.00 C ATOM 922 C GLY A 56 0.182 16.033 1.106 1.00 0.00 C ATOM 923 O GLY A 56 0.050 16.063 -0.118 1.00 0.00 O ATOM 0 H GLY A 56 0.227 13.557 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.670 15.248 1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.357 15.187 2.996 1.00 0.00 H new ATOM 927 N ARG A 57 1.009 16.840 1.764 1.00 0.00 N ATOM 928 CA ARG A 57 1.830 17.829 1.071 1.00 0.00 C ATOM 929 C ARG A 57 3.158 18.021 1.789 1.00 0.00 C ATOM 930 O ARG A 57 3.748 19.101 1.755 1.00 0.00 O ATOM 931 CB ARG A 57 1.089 19.164 0.967 1.00 0.00 C ATOM 932 CG ARG A 57 1.763 20.166 0.043 1.00 0.00 C ATOM 933 CD ARG A 57 1.750 21.569 0.630 1.00 0.00 C ATOM 934 NE ARG A 57 0.773 22.430 -0.032 1.00 0.00 N ATOM 935 CZ ARG A 57 0.773 23.758 0.057 1.00 0.00 C ATOM 936 NH1 ARG A 57 1.697 24.382 0.779 1.00 0.00 N ATOM 937 NH2 ARG A 57 -0.151 24.466 -0.578 1.00 0.00 N ATOM 0 H ARG A 57 1.129 16.829 2.777 1.00 0.00 H new ATOM 0 HA ARG A 57 2.029 17.461 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.075 18.980 0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.004 19.601 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.792 19.857 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.255 20.170 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.523 21.514 1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.743 22.010 0.538 1.00 0.00 H new ATOM 0 HE ARG A 57 0.048 21.987 -0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.411 23.843 1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.692 25.400 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.862 23.993 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.150 25.484 -0.509 1.00 0.00 H new ATOM 951 N ASP A 58 3.623 16.959 2.432 1.00 0.00 N ATOM 952 CA ASP A 58 4.882 16.985 3.160 1.00 0.00 C ATOM 953 C ASP A 58 5.839 15.928 2.602 1.00 0.00 C ATOM 954 O ASP A 58 5.829 15.643 1.405 1.00 0.00 O ATOM 955 CB ASP A 58 4.621 16.764 4.655 1.00 0.00 C ATOM 956 CG ASP A 58 4.178 15.347 4.967 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.746 14.640 4.031 1.00 0.00 O ATOM 958 OD2 ASP A 58 4.262 14.944 6.146 1.00 0.00 O ATOM 0 H ASP A 58 3.141 16.061 2.463 1.00 0.00 H new ATOM 0 HA ASP A 58 5.352 17.960 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.528 16.989 5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.856 17.463 4.994 1.00 0.00 H new ATOM 963 N THR A 59 6.659 15.343 3.470 1.00 0.00 N ATOM 964 CA THR A 59 7.608 14.318 3.057 1.00 0.00 C ATOM 965 C THR A 59 7.344 13.011 3.800 1.00 0.00 C ATOM 966 O THR A 59 6.584 12.981 4.768 1.00 0.00 O ATOM 967 CB THR A 59 9.041 14.787 3.312 1.00 0.00 C ATOM 968 OG1 THR A 59 9.974 13.815 2.875 1.00 0.00 O ATOM 969 CG2 THR A 59 9.325 15.076 4.772 1.00 0.00 C ATOM 0 H THR A 59 6.684 15.563 4.466 1.00 0.00 H new ATOM 0 HA THR A 59 7.480 14.142 1.989 1.00 0.00 H new ATOM 0 HB THR A 59 9.146 15.714 2.748 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.884 14.135 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.358 15.404 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.655 15.860 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.166 14.172 5.360 1.00 0.00 H new ATOM 977 N GLN A 60 7.982 11.936 3.349 1.00 0.00 N ATOM 978 CA GLN A 60 7.818 10.635 3.979 1.00 0.00 C ATOM 979 C GLN A 60 8.813 10.465 5.115 1.00 0.00 C ATOM 980 O GLN A 60 9.978 10.132 4.899 1.00 0.00 O ATOM 981 CB GLN A 60 8.003 9.515 2.960 1.00 0.00 C ATOM 982 CG GLN A 60 6.755 9.220 2.144 1.00 0.00 C ATOM 983 CD GLN A 60 7.011 8.235 1.020 1.00 0.00 C ATOM 984 OE1 GLN A 60 6.305 7.236 0.883 1.00 0.00 O ATOM 985 NE2 GLN A 60 8.024 8.513 0.208 1.00 0.00 N ATOM 0 H GLN A 60 8.616 11.942 2.550 1.00 0.00 H new ATOM 0 HA GLN A 60 6.806 10.580 4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.814 9.782 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.308 8.608 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.982 8.822 2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.371 10.150 1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.583 9.353 0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.243 7.887 -0.567 1.00 0.00 H new ATOM 994 N ILE A 61 8.336 10.696 6.322 1.00 0.00 N ATOM 995 CA ILE A 61 9.162 10.577 7.517 1.00 0.00 C ATOM 996 C ILE A 61 9.308 9.121 7.942 1.00 0.00 C ATOM 997 O ILE A 61 8.566 8.636 8.796 1.00 0.00 O ATOM 998 CB ILE A 61 8.575 11.385 8.690 1.00 0.00 C ATOM 999 CG1 ILE A 61 7.102 11.029 8.898 1.00 0.00 C ATOM 1000 CG2 ILE A 61 8.735 12.876 8.439 1.00 0.00 C ATOM 1001 CD1 ILE A 61 6.709 10.907 10.354 1.00 0.00 C ATOM 0 H ILE A 61 7.371 10.970 6.506 1.00 0.00 H new ATOM 0 HA ILE A 61 10.143 10.979 7.263 1.00 0.00 H new ATOM 0 HB ILE A 61 9.122 11.129 9.597 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.482 11.791 8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.889 10.087 8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.315 13.433 9.277 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.793 13.116 8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.211 13.149 7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.651 10.653 10.425 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.303 10.125 10.827 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.889 11.855 10.860 1.00 0.00 H new ATOM 1013 N GLY A 62 10.268 8.431 7.341 1.00 0.00 N ATOM 1014 CA GLY A 62 10.494 7.037 7.671 1.00 0.00 C ATOM 1015 C GLY A 62 9.282 6.173 7.387 1.00 0.00 C ATOM 1016 O GLY A 62 9.095 5.129 8.012 1.00 0.00 O ATOM 0 H GLY A 62 10.894 8.811 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.344 6.664 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.757 6.954 8.726 1.00 0.00 H new ATOM 1020 N LEU A 63 8.453 6.610 6.442 1.00 0.00 N ATOM 1021 CA LEU A 63 7.252 5.867 6.074 1.00 0.00 C ATOM 1022 C LEU A 63 7.597 4.426 5.710 1.00 0.00 C ATOM 1023 O LEU A 63 8.710 4.134 5.275 1.00 0.00 O ATOM 1024 CB LEU A 63 6.538 6.553 4.906 1.00 0.00 C ATOM 1025 CG LEU A 63 5.276 7.334 5.283 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.132 6.382 5.598 1.00 0.00 C ATOM 1027 CD2 LEU A 63 5.550 8.252 6.465 1.00 0.00 C ATOM 0 H LEU A 63 8.591 7.474 5.918 1.00 0.00 H new ATOM 0 HA LEU A 63 6.583 5.852 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.238 7.235 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.271 5.796 4.169 1.00 0.00 H new ATOM 0 HG LEU A 63 4.985 7.949 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.244 6.956 5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.919 5.767 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.412 5.740 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.642 8.799 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.867 7.657 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.338 8.958 6.202 1.00 0.00 H new ATOM 1039 N THR A 64 6.635 3.528 5.894 1.00 0.00 N ATOM 1040 CA THR A 64 6.845 2.119 5.591 1.00 0.00 C ATOM 1041 C THR A 64 5.879 1.629 4.517 1.00 0.00 C ATOM 1042 O THR A 64 4.844 2.245 4.263 1.00 0.00 O ATOM 1043 CB THR A 64 6.685 1.276 6.857 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.455 1.563 7.498 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.791 1.495 7.866 1.00 0.00 C ATOM 0 H THR A 64 5.706 3.751 6.250 1.00 0.00 H new ATOM 0 HA THR A 64 7.860 2.010 5.209 1.00 0.00 H new ATOM 0 HB THR A 64 6.723 0.240 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.370 1.013 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.616 0.867 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.750 1.234 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.805 2.542 8.169 1.00 0.00 H new ATOM 1053 N MET A 65 6.226 0.509 3.897 1.00 0.00 N ATOM 1054 CA MET A 65 5.398 -0.083 2.857 1.00 0.00 C ATOM 1055 C MET A 65 4.740 -1.361 3.365 1.00 0.00 C ATOM 1056 O MET A 65 5.257 -2.012 4.271 1.00 0.00 O ATOM 1057 CB MET A 65 6.239 -0.383 1.613 1.00 0.00 C ATOM 1058 CG MET A 65 7.025 0.816 1.109 1.00 0.00 C ATOM 1059 SD MET A 65 5.977 2.245 0.771 1.00 0.00 S ATOM 1060 CE MET A 65 7.098 3.270 -0.178 1.00 0.00 C ATOM 0 H MET A 65 7.081 -0.010 4.099 1.00 0.00 H new ATOM 0 HA MET A 65 4.618 0.630 2.589 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.932 -1.193 1.840 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.583 -0.738 0.818 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.777 1.089 1.849 1.00 0.00 H new ATOM 0 HG3 MET A 65 7.559 0.539 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.539 3.809 -0.943 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.588 3.984 0.485 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.851 2.642 -0.654 1.00 0.00 H new ATOM 1070 N PRO A 66 3.581 -1.735 2.798 1.00 0.00 N ATOM 1071 CA PRO A 66 2.918 -1.003 1.721 1.00 0.00 C ATOM 1072 C PRO A 66 2.010 0.113 2.232 1.00 0.00 C ATOM 1073 O PRO A 66 1.374 -0.017 3.278 1.00 0.00 O ATOM 1074 CB PRO A 66 2.079 -2.087 1.023 1.00 0.00 C ATOM 1075 CG PRO A 66 2.284 -3.344 1.813 1.00 0.00 C ATOM 1076 CD PRO A 66 2.817 -2.924 3.151 1.00 0.00 C ATOM 0 HA PRO A 66 3.639 -0.505 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.025 -1.809 0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.397 -2.220 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.347 -3.890 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.984 -4.010 1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.019 -2.703 3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.442 -3.694 3.604 1.00 0.00 H new ATOM 1084 N GLN A 67 1.937 1.200 1.469 1.00 0.00 N ATOM 1085 CA GLN A 67 1.087 2.331 1.824 1.00 0.00 C ATOM 1086 C GLN A 67 -0.239 2.236 1.080 1.00 0.00 C ATOM 1087 O GLN A 67 -0.262 2.169 -0.147 1.00 0.00 O ATOM 1088 CB GLN A 67 1.786 3.650 1.488 1.00 0.00 C ATOM 1089 CG GLN A 67 1.410 4.796 2.415 1.00 0.00 C ATOM 1090 CD GLN A 67 1.874 4.578 3.843 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.129 4.817 4.793 1.00 0.00 O ATOM 1092 NE2 GLN A 67 3.115 4.129 4.002 1.00 0.00 N ATOM 0 H GLN A 67 2.457 1.321 0.600 1.00 0.00 H new ATOM 0 HA GLN A 67 0.896 2.304 2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.865 3.500 1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.542 3.929 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.843 5.721 2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.328 4.924 2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.699 3.944 3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.483 3.970 4.940 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.342 2.206 1.822 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.659 2.089 1.207 1.00 0.00 C ATOM 1103 C VAL A 68 -3.427 3.408 1.203 1.00 0.00 C ATOM 1104 O VAL A 68 -3.162 4.305 2.007 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.516 1.019 1.910 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.742 0.683 1.073 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.693 -0.231 2.190 1.00 0.00 C ATOM 0 H VAL A 68 -1.351 2.261 2.841 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.475 1.794 0.174 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.854 1.422 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.336 -0.074 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.343 1.581 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.426 0.301 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.317 -0.974 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.321 -0.640 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.851 0.024 2.834 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.391 3.508 0.290 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.211 4.704 0.166 1.00 0.00 C ATOM 1119 C PHE A 69 -6.653 4.346 -0.168 1.00 0.00 C ATOM 1120 O PHE A 69 -6.944 3.223 -0.575 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.656 5.609 -0.922 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.299 6.133 -0.604 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -2.171 5.394 -0.905 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -3.154 7.362 0.002 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -0.916 5.877 -0.611 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.903 7.853 0.301 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.779 7.110 -0.006 1.00 0.00 C ATOM 0 H PHE A 69 -4.621 2.770 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.190 5.224 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.616 5.057 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.337 6.446 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.275 4.428 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.030 7.946 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.041 5.293 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.800 8.818 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.204 7.493 0.227 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.551 5.307 0.011 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.972 5.092 -0.262 1.00 0.00 C ATOM 1139 C ALA A 70 -9.230 4.820 -1.745 1.00 0.00 C ATOM 1140 O ALA A 70 -8.427 5.188 -2.603 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.782 6.296 0.196 1.00 0.00 C ATOM 0 H ALA A 70 -7.323 6.244 0.344 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.286 4.210 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.838 6.125 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.642 6.442 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.446 7.185 -0.338 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.365 4.166 -2.060 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.744 3.846 -3.443 1.00 0.00 C ATOM 1149 C PRO A 71 -10.901 5.094 -4.307 1.00 0.00 C ATOM 1150 O PRO A 71 -10.830 5.022 -5.534 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.097 3.136 -3.296 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.140 2.674 -1.881 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.372 3.694 -1.094 1.00 0.00 C ATOM 0 HA PRO A 71 -9.981 3.244 -3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.923 3.812 -3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.179 2.297 -3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.168 2.599 -1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.694 1.685 -1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.013 4.506 -0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.909 3.257 -0.209 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.124 6.236 -3.661 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.302 7.497 -4.375 1.00 0.00 C ATOM 1163 C ASP A 72 -10.113 8.432 -4.170 1.00 0.00 C ATOM 1164 O ASP A 72 -9.940 9.398 -4.914 1.00 0.00 O ATOM 1165 CB ASP A 72 -12.587 8.186 -3.913 1.00 0.00 C ATOM 1166 CG ASP A 72 -12.607 8.431 -2.417 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.058 9.463 -1.977 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.169 7.590 -1.686 1.00 0.00 O ATOM 0 H ASP A 72 -11.186 6.314 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.372 7.268 -5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.694 9.137 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.444 7.572 -4.189 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.296 8.149 -3.159 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.142 8.987 -2.894 1.00 0.00 C ATOM 1175 C GLY A 73 -8.102 9.498 -1.466 1.00 0.00 C ATOM 1176 O GLY A 73 -8.752 10.489 -1.134 1.00 0.00 O ATOM 0 H GLY A 73 -9.412 7.360 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.233 8.421 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.150 9.835 -3.579 1.00 0.00 H new ATOM 1180 N SER A 74 -7.331 8.819 -0.624 1.00 0.00 N ATOM 1181 CA SER A 74 -7.191 9.202 0.777 1.00 0.00 C ATOM 1182 C SER A 74 -6.221 8.267 1.487 1.00 0.00 C ATOM 1183 O SER A 74 -6.071 7.112 1.103 1.00 0.00 O ATOM 1184 CB SER A 74 -8.549 9.179 1.481 1.00 0.00 C ATOM 1185 OG SER A 74 -8.465 9.764 2.769 1.00 0.00 O ATOM 0 H SER A 74 -6.790 7.996 -0.889 1.00 0.00 H new ATOM 0 HA SER A 74 -6.796 10.217 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.283 9.717 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.900 8.151 1.567 1.00 0.00 H new ATOM 0 HG SER A 74 -9.346 9.739 3.198 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.558 8.775 2.517 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.596 7.978 3.269 1.00 0.00 C ATOM 1193 C HIS A 75 -5.287 7.169 4.363 1.00 0.00 C ATOM 1194 O HIS A 75 -5.819 7.732 5.318 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.533 8.888 3.889 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.244 8.188 4.186 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.217 8.748 4.914 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.821 6.946 3.835 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.224 7.852 4.980 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.541 6.740 4.342 1.00 0.00 N ATOM 0 H HIS A 75 -5.667 9.733 2.851 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.120 7.282 2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.338 9.719 3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.926 9.315 4.812 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.387 6.232 3.255 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.714 8.017 5.489 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.033 5.903 4.241 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.271 5.845 4.222 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.894 4.969 5.211 1.00 0.00 C ATOM 1210 C ILE A 76 -4.836 4.326 6.103 1.00 0.00 C ATOM 1211 O ILE A 76 -5.029 4.185 7.311 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.755 3.870 4.539 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -8.073 4.465 4.042 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.027 2.715 5.499 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -8.240 4.372 2.545 1.00 0.00 C ATOM 0 H ILE A 76 -4.837 5.358 3.438 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.551 5.587 5.823 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.197 3.476 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.902 3.950 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.128 5.511 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.633 1.960 4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.082 2.272 5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.561 3.087 6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.195 4.812 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.430 4.911 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.216 3.326 2.241 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.717 3.939 5.500 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.645 3.323 6.257 1.00 0.00 C ATOM 1229 C GLY A 77 -2.106 2.071 5.595 1.00 0.00 C ATOM 1230 O GLY A 77 -2.289 1.866 4.395 1.00 0.00 O ATOM 0 H GLY A 77 -3.534 4.041 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.834 4.041 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.007 3.075 7.255 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.431 1.235 6.378 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.867 0.010 5.844 1.00 0.00 C ATOM 1236 C GLY A 78 -1.768 -1.192 6.064 1.00 0.00 C ATOM 1237 O GLY A 78 -2.975 -1.123 5.829 1.00 0.00 O ATOM 0 H GLY A 78 -1.265 1.385 7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.686 0.133 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.100 -0.175 6.312 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.176 -2.295 6.510 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.925 -3.523 6.755 1.00 0.00 C ATOM 1243 C PHE A 79 -2.834 -3.388 7.975 1.00 0.00 C ATOM 1244 O PHE A 79 -4.056 -3.331 7.845 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.955 -4.696 6.941 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.616 -5.977 7.373 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.837 -6.358 6.842 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.011 -6.798 8.312 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.444 -7.535 7.239 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.613 -7.976 8.713 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.831 -8.345 8.175 1.00 0.00 C ATOM 0 H PHE A 79 -0.178 -2.364 6.710 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.559 -3.713 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.428 -4.870 6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.205 -4.419 7.682 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.320 -5.729 6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.059 -6.514 8.735 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.396 -7.821 6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.132 -8.607 9.446 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.303 -9.265 8.486 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.231 -3.340 9.160 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.994 -3.216 10.398 1.00 0.00 C ATOM 1263 C ASP A 80 -3.810 -1.929 10.410 1.00 0.00 C ATOM 1264 O ASP A 80 -4.986 -1.926 10.782 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.056 -3.248 11.607 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.809 -3.336 12.920 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.511 -2.362 13.268 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.699 -4.379 13.599 1.00 0.00 O ATOM 0 H ASP A 80 -1.220 -3.385 9.289 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.680 -4.061 10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.383 -4.101 11.519 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.436 -2.352 11.606 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.179 -0.833 9.998 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.848 0.462 9.960 1.00 0.00 C ATOM 1275 C GLN A 81 -5.162 0.367 9.195 1.00 0.00 C ATOM 1276 O GLN A 81 -6.171 0.944 9.603 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.946 1.514 9.313 1.00 0.00 C ATOM 1278 CG GLN A 81 -1.506 1.465 9.798 1.00 0.00 C ATOM 1279 CD GLN A 81 -0.819 2.815 9.724 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -1.473 3.853 9.620 1.00 0.00 O ATOM 1281 NE2 GLN A 81 0.508 2.806 9.778 1.00 0.00 N ATOM 0 H GLN A 81 -2.208 -0.816 9.687 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.060 0.762 10.986 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.961 1.377 8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.355 2.504 9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.485 1.107 10.827 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.949 0.745 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.009 1.922 9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.026 3.683 9.733 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.146 -0.368 8.089 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.344 -0.534 7.280 1.00 0.00 C ATOM 1292 C LEU A 82 -7.327 -1.490 7.941 1.00 0.00 C ATOM 1293 O LEU A 82 -8.537 -1.302 7.841 1.00 0.00 O ATOM 1294 CB LEU A 82 -6.007 -1.019 5.882 1.00 0.00 C ATOM 1295 CG LEU A 82 -7.228 -1.124 4.978 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.946 -0.559 3.601 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.687 -2.560 4.893 1.00 0.00 C ATOM 0 H LEU A 82 -4.322 -0.855 7.735 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.814 0.446 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.286 -0.338 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.526 -1.995 5.948 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.030 -0.527 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.838 -0.649 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.670 0.492 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.127 -1.112 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.561 -2.625 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.885 -3.175 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.947 -2.918 5.889 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.814 -2.500 8.640 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.683 -3.449 9.333 1.00 0.00 C ATOM 1311 C ARG A 83 -8.680 -2.680 10.188 1.00 0.00 C ATOM 1312 O ARG A 83 -9.820 -3.106 10.377 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.860 -4.402 10.203 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.531 -5.746 10.435 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.508 -6.855 10.613 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.856 -6.793 11.920 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.030 -7.730 12.382 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -4.754 -8.801 11.648 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -4.479 -7.595 13.579 1.00 0.00 N ATOM 0 H ARG A 83 -5.815 -2.682 8.741 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.219 -4.047 8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.891 -4.566 9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.670 -3.929 11.166 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.166 -5.689 11.319 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.180 -5.980 9.591 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.998 -7.822 10.497 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.755 -6.783 9.828 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.045 -5.985 12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.175 -8.909 10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.121 -9.516 12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.687 -6.774 14.147 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.846 -8.312 13.933 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.243 -1.521 10.678 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.100 -0.664 11.480 1.00 0.00 C ATOM 1335 C GLU A 84 -10.229 -0.128 10.609 1.00 0.00 C ATOM 1336 O GLU A 84 -11.363 0.023 11.063 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.298 0.493 12.079 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.813 0.952 13.434 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.975 0.427 14.584 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -8.006 -0.797 14.830 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.289 1.241 15.238 1.00 0.00 O ATOM 0 H GLU A 84 -7.301 -1.158 10.531 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.518 -1.246 12.301 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.256 0.189 12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.319 1.335 11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.824 2.042 13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.844 0.620 13.559 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.909 0.129 9.342 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.892 0.613 8.388 1.00 0.00 C ATOM 1350 C TYR A 85 -11.971 -0.447 8.193 1.00 0.00 C ATOM 1351 O TYR A 85 -13.144 -0.133 7.992 1.00 0.00 O ATOM 1352 CB TYR A 85 -10.204 0.924 7.056 1.00 0.00 C ATOM 1353 CG TYR A 85 -11.082 1.628 6.049 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -12.111 0.956 5.403 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.872 2.964 5.735 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.907 1.596 4.473 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.664 3.612 4.808 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.680 2.923 4.178 1.00 0.00 C ATOM 1359 OH TYR A 85 -13.471 3.565 3.253 1.00 0.00 O ATOM 0 H TYR A 85 -8.973 0.008 8.956 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.355 1.525 8.765 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.327 1.542 7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.847 -0.009 6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.292 -0.084 5.631 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.076 3.506 6.224 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.703 1.059 3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.489 4.652 4.577 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.179 4.496 3.163 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.553 -1.709 8.275 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.457 -2.843 8.119 1.00 0.00 C ATOM 1371 C PHE A 86 -13.112 -3.215 9.445 1.00 0.00 C ATOM 1372 O PHE A 86 -14.311 -3.007 9.636 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.681 -4.042 7.559 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.496 -3.987 6.070 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.549 -3.642 5.236 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.263 -4.256 5.505 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.371 -3.565 3.870 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -10.081 -4.185 4.138 1.00 0.00 C ATOM 1379 CZ PHE A 86 -11.136 -3.837 3.320 1.00 0.00 C ATOM 0 H PHE A 86 -10.583 -1.972 8.451 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.248 -2.561 7.424 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.703 -4.089 8.038 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.208 -4.960 7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.519 -3.431 5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.432 -4.525 6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.198 -3.292 3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.114 -4.402 3.710 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.995 -3.778 2.251 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.320 -3.765 10.361 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.826 -4.166 11.669 1.00 0.00 C ATOM 1391 C LYS A 87 -12.914 -2.969 12.611 1.00 0.00 C ATOM 1392 O LYS A 87 -12.367 -1.901 12.263 1.00 0.00 O ATOM 1393 CB LYS A 87 -11.925 -5.242 12.278 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.029 -6.588 11.580 1.00 0.00 C ATOM 1395 CD LYS A 87 -13.231 -7.379 12.069 1.00 0.00 C ATOM 1396 CE LYS A 87 -13.642 -8.445 11.067 1.00 0.00 C ATOM 1397 NZ LYS A 87 -12.555 -9.435 10.831 1.00 0.00 N ATOM 1398 OXT LYS A 87 -13.530 -3.109 13.689 1.00 0.00 O ATOM 0 H LYS A 87 -11.325 -3.943 10.221 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.828 -4.572 11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.890 -4.902 12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.182 -5.367 13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.106 -6.435 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.119 -7.161 11.756 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.995 -7.848 13.024 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.067 -6.702 12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.530 -8.961 11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.912 -7.971 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.903 -10.191 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.746 -8.961 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.256 -9.845 11.739 1.00 0.00 H new