USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 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 5 LYS NZ :NH3+ -112:sc= -0.208! (180deg=-3.17!) USER MOD Set 1.2: A 131 SER OG : rot -114:sc= 0.688! USER MOD Set 2.1: A 116 THR OG1 : rot -156:sc= 2.27 USER MOD Set 2.2: A 121 LYS NZ :NH3+ -158:sc= 3.22 (180deg=1.36) USER MOD Set 3.1: A 11 ASN : amide:sc= 0.489 K(o=1.3,f=-16!) USER MOD Set 3.2: A 105 LYS NZ :NH3+ 174:sc= 0.777 (180deg=0) USER MOD Set 4.1: A 85 ASN : amide:sc= 0.0663 K(o=-1.5,f=-6.5!) USER MOD Set 4.2: A 86 HIS : no HE2:sc= -1.59 K(o=-1.5,f=-8.6!) USER MOD Set 5.1: A 60 MET CE :methyl -170:sc= -0.0128 (180deg=-0.0844) USER MOD Set 5.2: A 92 SER OG : rot -101:sc= 1.15 USER MOD Set 6.1: A 36 GLN :FLIP amide:sc= -0.0817 F(o=0.079,f=1) USER MOD Set 6.2: A 38 GLN : amide:sc= 0.29 K(o=1,f=-12!) USER MOD Set 6.3: A 50 LYS NZ :NH3+ 140:sc= 0.832 (180deg=0.27) USER MOD Set 7.1: A 48 TYR OH : rot -84:sc= 1.26 USER MOD Set 7.2: A 57 TYR OH : rot -168:sc= 0.364 USER MOD Set 8.1: A 40 SER OG : rot 41:sc= 1.92 USER MOD Set 8.2: A 132 SER OG : rot 12:sc= -0.308 USER MOD Set 9.1: A 34 HIS : no HE2:sc= -0.702 K(o=-0.54,f=-3.2!) USER MOD Set 9.2: A 52 THR OG1 : rot 90:sc= 0.16 USER MOD Set10.1: A 33 GLN : amide:sc= 0.722 K(o=1.7,f=-3.8!) USER MOD Set10.2: A 51 SER OG : rot 50:sc= 1.01 USER MOD Set11.1: A 8 TYR OH : rot 38:sc= 1.01 USER MOD Set11.2: A 14 HIS :FLIP no HD1:sc= -0.415 F(o=-0.75,f=0.59) USER MOD Set12.1: A 1 TYR OH : rot 180:sc= 0.972 USER MOD Set12.2: A 2 LYS NZ :NH3+ 180:sc= 1.14 (180deg=0.0244) USER MOD Single : A 1 TYR N :NH3+ -145:sc= 0.0722 (180deg=-0.00433) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -140:sc= -0.199 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 27 THR OG1 : rot 35:sc= -0.949! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -121:sc= 1.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -2.05! C(o=-2!,f=-5.4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -70:sc= 0.235 USER MOD Single : A 70 GLN : amide:sc= -0.809 K(o=-0.81,f=-3.6!) USER MOD Single : A 71 THR OG1 : rot -27:sc= 0.702 USER MOD Single : A 73 ASN : amide:sc= 0.309 K(o=0.31,f=-8.5!) USER MOD Single : A 76 CYS SG : rot 73:sc= 0.961 USER MOD Single : A 87 TYR OH : rot -107:sc= 1.15 USER MOD Single : A 88 ASN :FLIP amide:sc= 0.567 F(o=-2.6!,f=0.57) USER MOD Single : A 89 THR OG1 : rot -150:sc= -1.47 USER MOD Single : A 90 TYR OH : rot 8:sc= 1.2 USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= 0.952 (180deg=-0.412!) USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= 2.26 (180deg=1.86) USER MOD Single : A 95 HIS : no HD1:sc= 0.787 K(o=0.79,f=-7.6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.792 X(o=-0.79,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ -157:sc= 1.85 (180deg=0.364) USER MOD Single : A 107 ASN : amide:sc= -0.0696 X(o=-0.07,f=-0.1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= -0.406 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= -0.197 K(o=-0.2,f=-3.8!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.724 -0.936 -9.623 1.00 0.54 N ATOM 2 CA TYR A 1 14.551 -1.391 -8.835 1.00 0.51 C ATOM 3 C TYR A 1 14.564 -0.803 -7.417 1.00 0.43 C ATOM 4 O TYR A 1 13.540 -0.324 -6.935 1.00 0.59 O ATOM 5 CB TYR A 1 14.507 -2.929 -8.779 1.00 0.57 C ATOM 6 CG TYR A 1 15.533 -3.549 -7.855 1.00 0.55 C ATOM 7 CD1 TYR A 1 15.252 -3.747 -6.510 1.00 0.53 C ATOM 8 CD2 TYR A 1 16.784 -3.928 -8.326 1.00 0.77 C ATOM 9 CE1 TYR A 1 16.188 -4.297 -5.657 1.00 0.65 C ATOM 10 CE2 TYR A 1 17.725 -4.485 -7.482 1.00 0.93 C ATOM 11 CZ TYR A 1 17.424 -4.667 -6.147 1.00 0.85 C ATOM 12 OH TYR A 1 18.373 -5.194 -5.296 1.00 1.08 O ATOM 0 H1 TYR A 1 15.447 -0.813 -10.618 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.066 -0.030 -9.244 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.481 -1.646 -9.559 1.00 0.54 H new ATOM 0 HA TYR A 1 13.653 -1.030 -9.336 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.513 -3.241 -8.460 1.00 0.57 H new ATOM 0 HB3 TYR A 1 14.657 -3.322 -9.785 1.00 0.57 H new ATOM 0 HD1 TYR A 1 14.283 -3.466 -6.124 1.00 0.53 H new ATOM 0 HD2 TYR A 1 17.025 -3.785 -9.369 1.00 0.77 H new ATOM 0 HE1 TYR A 1 15.954 -4.437 -4.612 1.00 0.65 H new ATOM 0 HE2 TYR A 1 18.692 -4.777 -7.865 1.00 0.93 H new ATOM 0 HH TYR A 1 19.186 -5.402 -5.802 1.00 1.08 H new ATOM 24 N LYS A 2 15.724 -0.828 -6.753 1.00 0.35 N ATOM 25 CA LYS A 2 15.828 -0.305 -5.392 1.00 0.39 C ATOM 26 C LYS A 2 15.895 1.222 -5.404 1.00 0.34 C ATOM 27 O LYS A 2 16.976 1.811 -5.398 1.00 0.48 O ATOM 28 CB LYS A 2 17.045 -0.904 -4.654 1.00 0.54 C ATOM 29 CG LYS A 2 18.400 -0.600 -5.297 1.00 0.73 C ATOM 30 CD LYS A 2 18.892 -1.754 -6.156 1.00 1.05 C ATOM 31 CE LYS A 2 20.113 -2.439 -5.550 1.00 1.15 C ATOM 32 NZ LYS A 2 19.767 -3.273 -4.365 1.00 1.40 N ATOM 0 H LYS A 2 16.594 -1.201 -7.133 1.00 0.35 H new ATOM 0 HA LYS A 2 14.931 -0.604 -4.849 1.00 0.39 H new ATOM 0 HB2 LYS A 2 17.052 -0.529 -3.631 1.00 0.54 H new ATOM 0 HB3 LYS A 2 16.921 -1.985 -4.596 1.00 0.54 H new ATOM 0 HG2 LYS A 2 18.318 0.299 -5.909 1.00 0.73 H new ATOM 0 HG3 LYS A 2 19.133 -0.390 -4.518 1.00 0.73 H new ATOM 0 HD2 LYS A 2 18.091 -2.483 -6.277 1.00 1.05 H new ATOM 0 HD3 LYS A 2 19.140 -1.385 -7.151 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.587 -3.065 -6.306 1.00 1.15 H new ATOM 0 HE3 LYS A 2 20.843 -1.684 -5.259 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.629 -3.717 -3.989 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.339 -2.673 -3.631 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.091 -4.012 -4.646 1.00 1.40 H new ATOM 46 N LYS A 3 14.729 1.859 -5.439 1.00 0.28 N ATOM 47 CA LYS A 3 14.648 3.317 -5.458 1.00 0.26 C ATOM 48 C LYS A 3 13.493 3.808 -4.584 1.00 0.26 C ATOM 49 O LYS A 3 12.591 3.036 -4.250 1.00 0.29 O ATOM 50 CB LYS A 3 14.477 3.810 -6.898 1.00 0.30 C ATOM 51 CG LYS A 3 15.606 3.375 -7.821 1.00 0.49 C ATOM 52 CD LYS A 3 15.364 3.820 -9.251 1.00 0.55 C ATOM 53 CE LYS A 3 16.380 3.206 -10.201 1.00 0.78 C ATOM 54 NZ LYS A 3 16.156 3.626 -11.608 1.00 1.18 N ATOM 0 H LYS A 3 13.824 1.388 -5.455 1.00 0.28 H new ATOM 0 HA LYS A 3 15.575 3.723 -5.052 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.531 3.438 -7.292 1.00 0.30 H new ATOM 0 HB3 LYS A 3 14.416 4.898 -6.897 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.548 3.791 -7.465 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.705 2.290 -7.789 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.358 3.534 -9.557 1.00 0.55 H new ATOM 0 HD3 LYS A 3 15.419 4.907 -9.310 1.00 0.55 H new ATOM 0 HE2 LYS A 3 17.385 3.495 -9.893 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.327 2.119 -10.135 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 16.871 3.184 -12.220 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 15.207 3.328 -11.912 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 16.233 4.661 -11.678 1.00 1.18 H new ATOM 68 N PRO A 4 13.513 5.097 -4.195 1.00 0.28 N ATOM 69 CA PRO A 4 12.468 5.691 -3.352 1.00 0.30 C ATOM 70 C PRO A 4 11.101 5.693 -4.035 1.00 0.27 C ATOM 71 O PRO A 4 10.919 6.320 -5.084 1.00 0.35 O ATOM 72 CB PRO A 4 12.953 7.130 -3.121 1.00 0.35 C ATOM 73 CG PRO A 4 14.401 7.119 -3.475 1.00 0.43 C ATOM 74 CD PRO A 4 14.554 6.079 -4.544 1.00 0.37 C ATOM 0 HA PRO A 4 12.327 5.126 -2.430 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.402 7.835 -3.743 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.804 7.434 -2.085 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.723 8.097 -3.832 1.00 0.43 H new ATOM 0 HG3 PRO A 4 15.014 6.879 -2.606 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.399 6.496 -5.539 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.549 5.634 -4.536 1.00 0.37 H new ATOM 82 N LYS A 5 10.151 4.980 -3.446 1.00 0.24 N ATOM 83 CA LYS A 5 8.798 4.892 -3.981 1.00 0.22 C ATOM 84 C LYS A 5 7.795 5.524 -3.011 1.00 0.25 C ATOM 85 O LYS A 5 8.122 5.786 -1.853 1.00 0.48 O ATOM 86 CB LYS A 5 8.440 3.420 -4.229 1.00 0.24 C ATOM 87 CG LYS A 5 7.220 3.211 -5.113 1.00 0.24 C ATOM 88 CD LYS A 5 7.016 1.738 -5.441 1.00 0.34 C ATOM 89 CE LYS A 5 5.857 1.533 -6.405 1.00 0.35 C ATOM 90 NZ LYS A 5 5.794 0.142 -6.924 1.00 0.40 N ATOM 0 H LYS A 5 10.295 4.448 -2.588 1.00 0.24 H new ATOM 0 HA LYS A 5 8.753 5.438 -4.923 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.295 2.923 -4.687 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.266 2.934 -3.269 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.334 3.599 -4.610 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.337 3.778 -6.037 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.929 1.332 -5.877 1.00 0.34 H new ATOM 0 HD3 LYS A 5 6.828 1.183 -4.522 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.921 1.773 -5.900 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.955 2.226 -7.241 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 6.020 0.140 -7.939 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.481 -0.450 -6.415 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 4.837 -0.239 -6.782 1.00 0.40 H new ATOM 104 N LEU A 6 6.585 5.783 -3.495 1.00 0.22 N ATOM 105 CA LEU A 6 5.528 6.359 -2.669 1.00 0.23 C ATOM 106 C LEU A 6 4.177 5.778 -3.084 1.00 0.22 C ATOM 107 O LEU A 6 4.040 5.251 -4.194 1.00 0.25 O ATOM 108 CB LEU A 6 5.516 7.893 -2.767 1.00 0.27 C ATOM 109 CG LEU A 6 4.903 8.484 -4.044 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.686 9.982 -3.881 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.789 8.203 -5.248 1.00 0.50 C ATOM 0 H LEU A 6 6.310 5.602 -4.460 1.00 0.22 H new ATOM 0 HA LEU A 6 5.722 6.101 -1.628 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.970 8.287 -1.910 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.542 8.250 -2.682 1.00 0.27 H new ATOM 0 HG LEU A 6 3.937 8.008 -4.214 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.251 10.388 -4.794 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.010 10.163 -3.045 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.642 10.469 -3.687 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.335 8.631 -6.142 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.770 8.650 -5.090 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.898 7.126 -5.376 1.00 0.50 H new ATOM 123 N LEU A 7 3.193 5.864 -2.196 1.00 0.24 N ATOM 124 CA LEU A 7 1.861 5.332 -2.466 1.00 0.26 C ATOM 125 C LEU A 7 0.817 6.449 -2.440 1.00 0.22 C ATOM 126 O LEU A 7 0.248 6.762 -1.390 1.00 0.24 O ATOM 127 CB LEU A 7 1.508 4.248 -1.441 1.00 0.32 C ATOM 128 CG LEU A 7 0.182 3.521 -1.683 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.174 2.855 -3.051 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.063 2.497 -0.587 1.00 0.46 C ATOM 0 H LEU A 7 3.293 6.299 -1.279 1.00 0.24 H new ATOM 0 HA LEU A 7 1.861 4.888 -3.462 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.310 3.510 -1.427 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.477 4.704 -0.451 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.624 4.255 -1.660 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.777 2.345 -3.202 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.306 3.611 -3.825 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.987 2.131 -3.108 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.009 1.987 -0.770 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.747 1.768 -0.582 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.104 3.001 0.379 1.00 0.46 H new ATOM 142 N TYR A 8 0.567 7.045 -3.600 1.00 0.22 N ATOM 143 CA TYR A 8 -0.397 8.130 -3.713 1.00 0.21 C ATOM 144 C TYR A 8 -1.811 7.579 -3.895 1.00 0.21 C ATOM 145 O TYR A 8 -2.075 6.804 -4.819 1.00 0.29 O ATOM 146 CB TYR A 8 -0.027 9.038 -4.890 1.00 0.24 C ATOM 147 CG TYR A 8 -0.339 10.498 -4.660 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.590 11.015 -4.964 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.621 11.359 -4.140 1.00 0.46 C ATOM 150 CE1 TYR A 8 -1.878 12.351 -4.759 1.00 0.46 C ATOM 151 CE2 TYR A 8 0.340 12.696 -3.932 1.00 0.56 C ATOM 152 CZ TYR A 8 -0.910 13.188 -4.242 1.00 0.50 C ATOM 153 OH TYR A 8 -1.195 14.521 -4.032 1.00 0.63 O ATOM 0 H TYR A 8 1.021 6.793 -4.478 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.373 8.713 -2.792 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.038 8.933 -5.096 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.559 8.699 -5.779 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.351 10.363 -5.367 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.601 10.977 -3.895 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -2.856 12.738 -5.002 1.00 0.46 H new ATOM 0 HE2 TYR A 8 1.096 13.353 -3.528 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.113 14.611 -3.701 1.00 0.63 H new ATOM 163 N CYS A 9 -2.710 7.970 -3.004 1.00 0.23 N ATOM 164 CA CYS A 9 -4.094 7.525 -3.072 1.00 0.27 C ATOM 165 C CYS A 9 -4.975 8.634 -3.644 1.00 0.28 C ATOM 166 O CYS A 9 -4.953 9.768 -3.159 1.00 0.30 O ATOM 167 CB CYS A 9 -4.590 7.111 -1.685 1.00 0.30 C ATOM 168 SG CYS A 9 -3.579 5.833 -0.898 1.00 0.37 S ATOM 0 H CYS A 9 -2.506 8.595 -2.224 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.151 6.658 -3.731 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.614 7.990 -1.041 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.615 6.750 -1.769 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.351 4.986 -0.285 1.00 0.37 H new ATOM 174 N SER A 10 -5.740 8.312 -4.678 1.00 0.37 N ATOM 175 CA SER A 10 -6.612 9.290 -5.310 1.00 0.42 C ATOM 176 C SER A 10 -7.820 9.594 -4.421 1.00 0.39 C ATOM 177 O SER A 10 -8.913 9.058 -4.622 1.00 0.51 O ATOM 178 CB SER A 10 -7.062 8.791 -6.686 1.00 0.56 C ATOM 179 OG SER A 10 -6.975 9.819 -7.659 1.00 1.23 O ATOM 0 H SER A 10 -5.774 7.382 -5.096 1.00 0.37 H new ATOM 0 HA SER A 10 -6.052 10.215 -5.445 1.00 0.42 H new ATOM 0 HB2 SER A 10 -6.443 7.946 -6.989 1.00 0.56 H new ATOM 0 HB3 SER A 10 -8.088 8.429 -6.627 1.00 0.56 H new ATOM 0 HG SER A 10 -7.267 9.472 -8.528 1.00 1.23 H new ATOM 185 N ASN A 11 -7.607 10.431 -3.410 1.00 0.33 N ATOM 186 CA ASN A 11 -8.684 10.811 -2.503 1.00 0.36 C ATOM 187 C ASN A 11 -8.537 12.260 -2.033 1.00 0.35 C ATOM 188 O ASN A 11 -8.938 12.605 -0.919 1.00 0.47 O ATOM 189 CB ASN A 11 -8.724 9.864 -1.301 1.00 0.44 C ATOM 190 CG ASN A 11 -10.142 9.571 -0.840 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.454 9.660 0.350 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.011 9.191 -1.772 1.00 0.75 N ATOM 0 H ASN A 11 -6.704 10.857 -3.199 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.624 10.732 -3.050 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.230 8.929 -1.563 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.161 10.303 -0.477 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -11.970 8.962 -1.512 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.718 9.128 -2.747 1.00 0.75 H new ATOM 199 N GLY A 12 -7.976 13.110 -2.892 1.00 0.38 N ATOM 200 CA GLY A 12 -7.794 14.512 -2.552 1.00 0.45 C ATOM 201 C GLY A 12 -6.753 14.724 -1.469 1.00 0.46 C ATOM 202 O GLY A 12 -7.027 14.505 -0.286 1.00 0.87 O ATOM 0 H GLY A 12 -7.643 12.851 -3.821 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.499 15.063 -3.445 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.746 14.927 -2.221 1.00 0.45 H new ATOM 206 N GLY A 13 -5.563 15.147 -1.875 1.00 0.38 N ATOM 207 CA GLY A 13 -4.488 15.387 -0.933 1.00 0.36 C ATOM 208 C GLY A 13 -3.238 14.612 -1.300 1.00 0.31 C ATOM 209 O GLY A 13 -3.098 14.159 -2.439 1.00 0.40 O ATOM 0 H GLY A 13 -5.322 15.329 -2.849 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.260 16.453 -0.904 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.811 15.103 0.068 1.00 0.36 H new ATOM 213 N HIS A 14 -2.325 14.465 -0.349 1.00 0.26 N ATOM 214 CA HIS A 14 -1.083 13.726 -0.578 1.00 0.24 C ATOM 215 C HIS A 14 -0.966 12.607 0.448 1.00 0.22 C ATOM 216 O HIS A 14 -1.280 12.809 1.623 1.00 0.30 O ATOM 217 CB HIS A 14 0.131 14.662 -0.503 1.00 0.28 C ATOM 218 CG HIS A 14 0.214 15.639 -1.644 1.00 0.38 C ATOM 219 ND1 HIS A 14 1.065 15.700 -2.695 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.644 16.709 -1.792 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.711 16.791 -3.450 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.323 17.381 -2.882 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.418 14.848 0.592 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.105 13.294 -1.578 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.094 15.215 0.435 1.00 0.28 H new ATOM 0 HB3 HIS A 14 1.041 14.062 -0.484 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.452 16.958 -1.121 1.00 0.53 H new ATOM 0 HE1 HIS A 14 1.198 17.113 -4.358 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.795 18.217 -3.227 1.00 0.66 H new ATOM 231 N PHE A 15 -0.519 11.433 0.014 1.00 0.20 N ATOM 232 CA PHE A 15 -0.400 10.283 0.908 1.00 0.21 C ATOM 233 C PHE A 15 0.990 9.658 0.836 1.00 0.21 C ATOM 234 O PHE A 15 1.495 9.389 -0.254 1.00 0.23 O ATOM 235 CB PHE A 15 -1.449 9.222 0.552 1.00 0.27 C ATOM 236 CG PHE A 15 -2.868 9.716 0.605 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.375 10.526 -0.401 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.698 9.359 1.655 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.680 10.975 -0.355 1.00 0.37 C ATOM 240 CE2 PHE A 15 -5.004 9.804 1.705 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.496 10.611 0.698 1.00 0.45 C ATOM 0 H PHE A 15 -0.234 11.251 -0.948 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.566 10.642 1.924 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.244 8.847 -0.451 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.344 8.379 1.235 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.742 10.808 -1.229 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.319 8.725 2.443 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.062 11.610 -1.141 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.640 9.521 2.531 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.518 10.957 0.734 1.00 0.45 H new ATOM 251 N LEU A 16 1.599 9.441 2.005 1.00 0.20 N ATOM 252 CA LEU A 16 2.929 8.822 2.090 1.00 0.22 C ATOM 253 C LEU A 16 3.505 8.907 3.511 1.00 0.23 C ATOM 254 O LEU A 16 4.712 9.070 3.689 1.00 0.33 O ATOM 255 CB LEU A 16 3.901 9.464 1.083 1.00 0.23 C ATOM 256 CG LEU A 16 3.924 10.996 1.059 1.00 0.24 C ATOM 257 CD1 LEU A 16 5.004 11.532 1.987 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.137 11.502 -0.360 1.00 0.45 C ATOM 0 H LEU A 16 1.193 9.685 2.908 1.00 0.20 H new ATOM 0 HA LEU A 16 2.810 7.768 1.838 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.908 9.108 1.302 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.647 9.108 0.085 1.00 0.23 H new ATOM 0 HG LEU A 16 2.960 11.360 1.414 1.00 0.24 H new ATOM 0 HD11 LEU A 16 5.003 12.622 1.955 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.807 11.199 3.006 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.977 11.160 1.666 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.151 12.592 -0.359 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.087 11.127 -0.741 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.326 11.150 -0.997 1.00 0.45 H new ATOM 270 N ARG A 17 2.653 8.760 4.525 1.00 0.24 N ATOM 271 CA ARG A 17 3.109 8.828 5.910 1.00 0.26 C ATOM 272 C ARG A 17 2.772 7.550 6.666 1.00 0.22 C ATOM 273 O ARG A 17 1.617 7.130 6.708 1.00 0.29 O ATOM 274 CB ARG A 17 2.497 10.037 6.627 1.00 0.34 C ATOM 275 CG ARG A 17 2.832 10.104 8.112 1.00 0.47 C ATOM 276 CD ARG A 17 2.463 11.451 8.722 1.00 0.53 C ATOM 277 NE ARG A 17 1.026 11.719 8.646 1.00 0.54 N ATOM 278 CZ ARG A 17 0.450 12.861 9.026 1.00 0.72 C ATOM 279 NH1 ARG A 17 1.176 13.831 9.573 1.00 0.85 N ATOM 280 NH2 ARG A 17 -0.860 13.025 8.867 1.00 0.86 N ATOM 0 H ARG A 17 1.653 8.595 4.414 1.00 0.24 H new ATOM 0 HA ARG A 17 4.193 8.941 5.892 1.00 0.26 H new ATOM 0 HB2 ARG A 17 2.846 10.950 6.144 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.414 10.008 6.509 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.302 9.310 8.639 1.00 0.47 H new ATOM 0 HG3 ARG A 17 3.898 9.923 8.251 1.00 0.47 H new ATOM 0 HD2 ARG A 17 2.780 11.475 9.765 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.006 12.242 8.205 1.00 0.53 H new ATOM 0 HE ARG A 17 0.424 10.983 8.277 1.00 0.54 H new ATOM 0 HH11 ARG A 17 2.180 13.705 9.704 1.00 0.85 H new ATOM 0 HH12 ARG A 17 0.729 14.702 9.861 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -1.421 12.279 8.456 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -1.304 13.897 9.156 1.00 0.86 H new ATOM 294 N ILE A 18 3.797 6.938 7.250 1.00 0.21 N ATOM 295 CA ILE A 18 3.640 5.712 8.029 1.00 0.20 C ATOM 296 C ILE A 18 4.270 5.898 9.412 1.00 0.20 C ATOM 297 O ILE A 18 5.407 6.377 9.519 1.00 0.26 O ATOM 298 CB ILE A 18 4.280 4.492 7.314 1.00 0.26 C ATOM 299 CG1 ILE A 18 4.055 3.208 8.121 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.767 4.716 7.081 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.647 2.671 8.026 1.00 0.33 C ATOM 0 H ILE A 18 4.758 7.276 7.198 1.00 0.21 H new ATOM 0 HA ILE A 18 2.574 5.512 8.133 1.00 0.20 H new ATOM 0 HB ILE A 18 3.794 4.381 6.345 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.750 2.444 7.773 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.291 3.401 9.167 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.192 3.847 6.579 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.909 5.600 6.459 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.267 4.862 8.038 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.563 1.762 8.622 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.947 3.417 8.402 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.413 2.445 6.986 1.00 0.33 H new ATOM 313 N LEU A 19 3.526 5.548 10.458 1.00 0.21 N ATOM 314 CA LEU A 19 4.012 5.694 11.830 1.00 0.24 C ATOM 315 C LEU A 19 4.387 4.343 12.435 1.00 0.23 C ATOM 316 O LEU A 19 3.691 3.344 12.220 1.00 0.22 O ATOM 317 CB LEU A 19 2.955 6.379 12.704 1.00 0.30 C ATOM 318 CG LEU A 19 2.815 7.894 12.505 1.00 0.40 C ATOM 319 CD1 LEU A 19 4.120 8.603 12.836 1.00 0.54 C ATOM 320 CD2 LEU A 19 2.383 8.215 11.082 1.00 0.48 C ATOM 0 H LEU A 19 2.585 5.162 10.383 1.00 0.21 H new ATOM 0 HA LEU A 19 4.908 6.314 11.797 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.989 5.913 12.508 1.00 0.30 H new ATOM 0 HB3 LEU A 19 3.194 6.188 13.750 1.00 0.30 H new ATOM 0 HG LEU A 19 2.044 8.254 13.187 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.999 9.676 12.688 1.00 0.54 H new ATOM 0 HD12 LEU A 19 4.387 8.408 13.875 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.911 8.234 12.183 1.00 0.54 H new ATOM 0 HD21 LEU A 19 2.290 9.295 10.965 1.00 0.48 H new ATOM 0 HD22 LEU A 19 3.127 7.836 10.382 1.00 0.48 H new ATOM 0 HD23 LEU A 19 1.421 7.744 10.879 1.00 0.48 H new ATOM 332 N PRO A 20 5.479 4.304 13.224 1.00 0.29 N ATOM 333 CA PRO A 20 5.971 3.078 13.868 1.00 0.33 C ATOM 334 C PRO A 20 4.881 2.361 14.659 1.00 0.30 C ATOM 335 O PRO A 20 4.877 1.131 14.751 1.00 0.36 O ATOM 336 CB PRO A 20 7.082 3.570 14.809 1.00 0.41 C ATOM 337 CG PRO A 20 6.916 5.050 14.880 1.00 0.55 C ATOM 338 CD PRO A 20 6.318 5.459 13.568 1.00 0.38 C ATOM 0 HA PRO A 20 6.317 2.352 13.133 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.990 3.117 15.796 1.00 0.41 H new ATOM 0 HB3 PRO A 20 8.067 3.303 14.427 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.267 5.331 15.710 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.874 5.543 15.043 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.732 6.374 13.657 1.00 0.38 H new ATOM 0 HD3 PRO A 20 7.083 5.643 12.814 1.00 0.38 H new ATOM 346 N ASP A 21 3.957 3.139 15.226 1.00 0.27 N ATOM 347 CA ASP A 21 2.847 2.586 16.001 1.00 0.30 C ATOM 348 C ASP A 21 2.069 1.560 15.181 1.00 0.29 C ATOM 349 O ASP A 21 1.407 0.684 15.740 1.00 0.41 O ATOM 350 CB ASP A 21 1.900 3.701 16.461 1.00 0.36 C ATOM 351 CG ASP A 21 2.505 4.581 17.537 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.474 4.189 18.721 1.00 0.96 O ATOM 353 OD2 ASP A 21 3.004 5.677 17.205 1.00 0.95 O ATOM 0 H ASP A 21 3.957 4.157 15.162 1.00 0.27 H new ATOM 0 HA ASP A 21 3.267 2.092 16.877 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.629 4.318 15.604 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.979 3.256 16.838 1.00 0.36 H new ATOM 358 N GLY A 22 2.154 1.676 13.855 1.00 0.24 N ATOM 359 CA GLY A 22 1.459 0.757 12.984 1.00 0.27 C ATOM 360 C GLY A 22 0.286 1.410 12.285 1.00 0.27 C ATOM 361 O GLY A 22 -0.843 0.930 12.380 1.00 0.35 O ATOM 0 H GLY A 22 2.695 2.394 13.374 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.154 0.369 12.239 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.106 -0.095 13.565 1.00 0.27 H new ATOM 365 N THR A 23 0.542 2.516 11.593 1.00 0.24 N ATOM 366 CA THR A 23 -0.513 3.226 10.876 1.00 0.27 C ATOM 367 C THR A 23 0.062 4.072 9.743 1.00 0.22 C ATOM 368 O THR A 23 1.143 4.656 9.880 1.00 0.25 O ATOM 369 CB THR A 23 -1.330 4.135 11.822 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.661 3.437 13.033 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.613 4.601 11.143 1.00 0.43 C ATOM 0 H THR A 23 1.467 2.939 11.513 1.00 0.24 H new ATOM 0 HA THR A 23 -1.174 2.466 10.458 1.00 0.27 H new ATOM 0 HB THR A 23 -0.716 5.003 12.064 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.177 4.028 13.621 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.174 5.240 11.825 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.365 5.162 10.242 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.219 3.735 10.876 1.00 0.43 H new ATOM 379 N VAL A 24 -0.657 4.114 8.625 1.00 0.25 N ATOM 380 CA VAL A 24 -0.248 4.892 7.461 1.00 0.24 C ATOM 381 C VAL A 24 -1.357 5.871 7.073 1.00 0.28 C ATOM 382 O VAL A 24 -2.541 5.540 7.184 1.00 0.37 O ATOM 383 CB VAL A 24 0.086 3.974 6.260 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.129 3.162 5.841 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.618 4.781 5.086 1.00 0.32 C ATOM 0 H VAL A 24 -1.536 3.612 8.501 1.00 0.25 H new ATOM 0 HA VAL A 24 0.653 5.446 7.725 1.00 0.24 H new ATOM 0 HB VAL A 24 0.866 3.283 6.579 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -0.867 2.526 4.996 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.457 2.541 6.675 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -1.935 3.836 5.552 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.844 4.111 4.257 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.133 5.506 4.772 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.525 5.306 5.386 1.00 0.32 H new ATOM 395 N ASP A 25 -0.980 7.072 6.637 1.00 0.28 N ATOM 396 CA ASP A 25 -1.967 8.080 6.251 1.00 0.35 C ATOM 397 C ASP A 25 -1.376 9.128 5.295 1.00 0.27 C ATOM 398 O ASP A 25 -0.305 8.920 4.707 1.00 0.26 O ATOM 399 CB ASP A 25 -2.563 8.750 7.501 1.00 0.50 C ATOM 400 CG ASP A 25 -1.746 9.925 8.002 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.628 9.708 8.513 1.00 1.19 O ATOM 402 OD2 ASP A 25 -2.226 11.073 7.902 1.00 1.28 O ATOM 0 H ASP A 25 -0.009 7.369 6.543 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.765 7.571 5.711 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.574 9.090 7.275 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.646 8.009 8.296 1.00 0.50 H new ATOM 407 N GLY A 26 -2.082 10.251 5.148 1.00 0.27 N ATOM 408 CA GLY A 26 -1.659 11.306 4.245 1.00 0.26 C ATOM 409 C GLY A 26 -0.389 12.021 4.678 1.00 0.32 C ATOM 410 O GLY A 26 0.039 11.911 5.828 1.00 0.72 O ATOM 0 H GLY A 26 -2.950 10.447 5.647 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.504 10.880 3.254 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.462 12.037 4.156 1.00 0.26 H new ATOM 414 N THR A 27 0.192 12.760 3.730 1.00 0.25 N ATOM 415 CA THR A 27 1.424 13.539 3.917 1.00 0.23 C ATOM 416 C THR A 27 2.005 13.881 2.540 1.00 0.23 C ATOM 417 O THR A 27 1.707 13.197 1.556 1.00 0.26 O ATOM 418 CB THR A 27 2.483 12.790 4.774 1.00 0.30 C ATOM 419 OG1 THR A 27 2.175 12.938 6.165 1.00 0.60 O ATOM 420 CG2 THR A 27 3.893 13.318 4.531 1.00 0.65 C ATOM 0 H THR A 27 -0.189 12.837 2.787 1.00 0.25 H new ATOM 0 HA THR A 27 1.169 14.447 4.463 1.00 0.23 H new ATOM 0 HB THR A 27 2.451 11.741 4.480 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.202 12.948 6.285 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.600 12.766 5.150 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.154 13.190 3.480 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.935 14.376 4.788 1.00 0.65 H new ATOM 428 N ARG A 28 2.809 14.943 2.457 1.00 0.26 N ATOM 429 CA ARG A 28 3.393 15.348 1.182 1.00 0.29 C ATOM 430 C ARG A 28 4.922 15.288 1.221 1.00 0.29 C ATOM 431 O ARG A 28 5.548 15.683 2.207 1.00 0.39 O ATOM 432 CB ARG A 28 2.928 16.761 0.801 1.00 0.36 C ATOM 433 CG ARG A 28 3.591 17.873 1.605 1.00 0.44 C ATOM 434 CD ARG A 28 3.014 19.234 1.254 1.00 0.57 C ATOM 435 NE ARG A 28 1.680 19.428 1.824 1.00 0.66 N ATOM 436 CZ ARG A 28 1.441 20.000 3.013 1.00 0.85 C ATOM 437 NH1 ARG A 28 2.448 20.450 3.765 1.00 1.04 N ATOM 438 NH2 ARG A 28 0.190 20.129 3.445 1.00 1.12 N ATOM 0 H ARG A 28 3.067 15.531 3.250 1.00 0.26 H new ATOM 0 HA ARG A 28 3.048 14.645 0.424 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.128 16.924 -0.258 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.848 16.825 0.935 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.456 17.683 2.670 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.664 17.871 1.414 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.681 20.015 1.618 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.964 19.338 0.170 1.00 0.57 H new ATOM 0 HE ARG A 28 0.879 19.107 1.281 1.00 0.66 H new ATOM 0 HH11 ARG A 28 3.409 20.360 3.437 1.00 1.04 H new ATOM 0 HH12 ARG A 28 2.256 20.884 4.668 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.584 19.793 2.872 1.00 1.12 H new ATOM 0 HH22 ARG A 28 0.005 20.564 4.349 1.00 1.12 H new ATOM 452 N ASP A 29 5.512 14.779 0.144 1.00 0.27 N ATOM 453 CA ASP A 29 6.967 14.669 0.022 1.00 0.29 C ATOM 454 C ASP A 29 7.349 14.472 -1.442 1.00 0.30 C ATOM 455 O ASP A 29 6.502 14.109 -2.266 1.00 0.37 O ATOM 456 CB ASP A 29 7.502 13.502 0.863 1.00 0.31 C ATOM 457 CG ASP A 29 8.942 13.708 1.313 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.827 13.896 0.451 1.00 0.47 O ATOM 459 OD2 ASP A 29 9.191 13.681 2.536 1.00 0.53 O ATOM 0 H ASP A 29 5.000 14.432 -0.667 1.00 0.27 H new ATOM 0 HA ASP A 29 7.414 15.591 0.394 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.868 13.372 1.740 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.436 12.582 0.282 1.00 0.31 H new ATOM 464 N ARG A 30 8.611 14.703 -1.767 1.00 0.35 N ATOM 465 CA ARG A 30 9.082 14.557 -3.134 1.00 0.39 C ATOM 466 C ARG A 30 9.313 13.083 -3.455 1.00 0.37 C ATOM 467 O ARG A 30 10.438 12.591 -3.382 1.00 0.41 O ATOM 468 CB ARG A 30 10.366 15.367 -3.353 1.00 0.48 C ATOM 469 CG ARG A 30 10.863 15.366 -4.792 1.00 0.53 C ATOM 470 CD ARG A 30 9.773 15.797 -5.760 1.00 0.62 C ATOM 471 NE ARG A 30 10.296 16.065 -7.097 1.00 0.72 N ATOM 472 CZ ARG A 30 9.573 15.981 -8.216 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.288 15.620 -8.167 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.136 16.253 -9.386 1.00 1.02 N ATOM 0 H ARG A 30 9.328 14.993 -1.102 1.00 0.35 H new ATOM 0 HA ARG A 30 8.319 14.944 -3.809 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.191 16.397 -3.041 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.149 14.967 -2.709 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.717 16.037 -4.883 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.212 14.368 -5.057 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.013 15.018 -5.819 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.283 16.692 -5.377 1.00 0.62 H new ATOM 0 HE ARG A 30 11.276 16.334 -7.181 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.852 15.406 -7.270 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.742 15.558 -9.027 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.118 16.525 -9.428 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.587 16.190 -10.243 1.00 1.02 H new ATOM 488 N SER A 31 8.233 12.385 -3.800 1.00 0.44 N ATOM 489 CA SER A 31 8.305 10.965 -4.130 1.00 0.51 C ATOM 490 C SER A 31 8.990 10.201 -2.995 1.00 0.51 C ATOM 491 O SER A 31 9.948 9.452 -3.214 1.00 0.86 O ATOM 492 CB SER A 31 9.056 10.765 -5.451 1.00 0.65 C ATOM 493 OG SER A 31 8.672 11.738 -6.415 1.00 0.74 O ATOM 0 H SER A 31 7.295 12.782 -3.858 1.00 0.44 H new ATOM 0 HA SER A 31 7.294 10.575 -4.251 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.130 10.828 -5.275 1.00 0.65 H new ATOM 0 HB3 SER A 31 8.855 9.766 -5.839 1.00 0.65 H new ATOM 0 HG SER A 31 9.168 11.588 -7.247 1.00 0.74 H new ATOM 499 N ASP A 32 8.489 10.406 -1.783 1.00 0.47 N ATOM 500 CA ASP A 32 9.047 9.765 -0.600 1.00 0.47 C ATOM 501 C ASP A 32 7.930 9.246 0.310 1.00 0.49 C ATOM 502 O ASP A 32 6.767 9.188 -0.097 1.00 1.05 O ATOM 503 CB ASP A 32 9.936 10.761 0.152 1.00 0.57 C ATOM 504 CG ASP A 32 11.061 10.091 0.915 1.00 0.73 C ATOM 505 OD1 ASP A 32 10.772 9.382 1.904 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.238 10.284 0.541 1.00 0.83 O ATOM 0 H ASP A 32 7.693 11.015 -1.594 1.00 0.47 H new ATOM 0 HA ASP A 32 9.651 8.912 -0.910 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.359 11.471 -0.559 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.323 11.334 0.848 1.00 0.57 H new ATOM 511 N GLN A 33 8.285 8.875 1.533 1.00 0.35 N ATOM 512 CA GLN A 33 7.330 8.357 2.499 1.00 0.34 C ATOM 513 C GLN A 33 7.733 8.816 3.910 1.00 0.35 C ATOM 514 O GLN A 33 7.927 10.011 4.139 1.00 0.54 O ATOM 515 CB GLN A 33 7.285 6.830 2.384 1.00 0.45 C ATOM 516 CG GLN A 33 6.071 6.183 3.031 1.00 0.53 C ATOM 517 CD GLN A 33 6.426 4.900 3.760 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.496 4.795 4.369 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.541 3.916 3.698 1.00 0.82 N ATOM 0 H GLN A 33 9.242 8.925 1.881 1.00 0.35 H new ATOM 0 HA GLN A 33 6.330 8.741 2.299 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.307 6.557 1.329 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.186 6.418 2.839 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.618 6.884 3.732 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.324 5.970 2.266 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.670 4.045 3.184 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.731 3.029 4.164 1.00 0.82 H new ATOM 528 N HIS A 34 7.867 7.881 4.855 1.00 0.34 N ATOM 529 CA HIS A 34 8.274 8.225 6.211 1.00 0.39 C ATOM 530 C HIS A 34 9.777 8.498 6.249 1.00 0.37 C ATOM 531 O HIS A 34 10.260 9.226 7.113 1.00 0.50 O ATOM 532 CB HIS A 34 7.919 7.088 7.179 1.00 0.48 C ATOM 533 CG HIS A 34 8.525 7.235 8.546 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.538 6.422 9.016 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.253 8.108 9.546 1.00 0.83 C ATOM 536 CE1 HIS A 34 9.861 6.792 10.243 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.098 7.813 10.584 1.00 0.95 N ATOM 0 H HIS A 34 7.700 6.886 4.703 1.00 0.34 H new ATOM 0 HA HIS A 34 7.741 9.124 6.521 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.835 7.034 7.278 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.247 6.142 6.748 1.00 0.48 H new ATOM 0 HD1 HIS A 34 9.969 5.657 8.498 1.00 0.86 H new ATOM 0 HD2 HIS A 34 7.509 8.891 9.528 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.620 6.336 10.861 1.00 0.99 H new ATOM 546 N ILE A 35 10.496 7.896 5.297 1.00 0.31 N ATOM 547 CA ILE A 35 11.950 8.039 5.183 1.00 0.34 C ATOM 548 C ILE A 35 12.417 7.585 3.795 1.00 0.33 C ATOM 549 O ILE A 35 13.297 8.198 3.192 1.00 0.40 O ATOM 550 CB ILE A 35 12.707 7.209 6.254 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.403 7.719 7.668 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.208 7.243 5.993 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.240 7.069 8.750 1.00 0.51 C ATOM 0 H ILE A 35 10.085 7.295 4.583 1.00 0.31 H new ATOM 0 HA ILE A 35 12.177 9.094 5.339 1.00 0.34 H new ATOM 0 HB ILE A 35 12.360 6.178 6.184 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.564 8.797 7.697 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.349 7.548 7.886 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.723 6.656 6.753 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.416 6.824 5.009 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.560 8.274 6.030 1.00 0.52 H new ATOM 0 HD11 ILE A 35 12.966 7.483 9.720 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.062 5.994 8.751 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.296 7.262 8.559 1.00 0.51 H new ATOM 565 N GLN A 36 11.837 6.479 3.319 1.00 0.29 N ATOM 566 CA GLN A 36 12.165 5.920 2.011 1.00 0.30 C ATOM 567 C GLN A 36 11.373 4.633 1.786 1.00 0.30 C ATOM 568 O GLN A 36 11.636 3.623 2.436 1.00 0.64 O ATOM 569 CB GLN A 36 13.668 5.629 1.915 1.00 0.37 C ATOM 570 CG GLN A 36 14.067 4.846 0.676 1.00 0.40 C ATOM 571 CD GLN A 36 15.516 4.399 0.716 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.768 3.250 1.326 1.00 0.76 O flip ATOM 573 NE2 GLN A 36 16.403 5.088 0.217 1.00 0.61 N flip ATOM 0 H GLN A 36 11.130 5.950 3.830 1.00 0.29 H new ATOM 0 HA GLN A 36 11.900 6.647 1.243 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.212 6.573 1.926 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.977 5.072 2.800 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.423 3.972 0.579 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.904 5.462 -0.208 1.00 0.40 H new ATOM 0 HE21 GLN A 36 16.168 5.967 -0.244 1.00 0.61 H new ATOM 0 HE22 GLN A 36 17.375 4.781 0.264 1.00 0.61 H new ATOM 582 N LEU A 37 10.393 4.674 0.892 1.00 0.27 N ATOM 583 CA LEU A 37 9.578 3.495 0.607 1.00 0.25 C ATOM 584 C LEU A 37 10.200 2.677 -0.520 1.00 0.22 C ATOM 585 O LEU A 37 10.487 3.208 -1.595 1.00 0.26 O ATOM 586 CB LEU A 37 8.150 3.902 0.229 1.00 0.33 C ATOM 587 CG LEU A 37 7.043 2.983 0.754 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.675 3.531 0.376 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.215 1.567 0.218 1.00 0.53 C ATOM 0 H LEU A 37 10.143 5.504 0.354 1.00 0.27 H new ATOM 0 HA LEU A 37 9.540 2.884 1.509 1.00 0.25 H new ATOM 0 HB2 LEU A 37 7.968 4.911 0.600 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.078 3.944 -0.858 1.00 0.33 H new ATOM 0 HG LEU A 37 7.116 2.947 1.841 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.899 2.867 0.756 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.548 4.523 0.810 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.597 3.597 -0.709 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.417 0.932 0.604 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.171 1.582 -0.871 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.180 1.172 0.537 1.00 0.53 H new ATOM 601 N GLN A 38 10.424 1.395 -0.261 1.00 0.23 N ATOM 602 CA GLN A 38 11.004 0.493 -1.248 1.00 0.27 C ATOM 603 C GLN A 38 10.014 -0.613 -1.610 1.00 0.24 C ATOM 604 O GLN A 38 9.332 -1.161 -0.740 1.00 0.32 O ATOM 605 CB GLN A 38 12.295 -0.126 -0.706 1.00 0.38 C ATOM 606 CG GLN A 38 13.526 0.750 -0.898 1.00 0.51 C ATOM 607 CD GLN A 38 14.498 0.662 0.268 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.091 0.561 1.428 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.786 0.689 -0.032 1.00 0.75 N ATOM 0 H GLN A 38 10.210 0.953 0.633 1.00 0.23 H new ATOM 0 HA GLN A 38 11.233 1.068 -2.145 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.170 -0.332 0.357 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.462 -1.084 -1.199 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.037 0.455 -1.814 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.213 1.786 -1.027 1.00 0.51 H new ATOM 0 HE21 GLN A 38 16.081 0.774 -1.005 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.484 0.625 0.709 1.00 0.75 H new ATOM 618 N LEU A 39 9.934 -0.931 -2.898 1.00 0.24 N ATOM 619 CA LEU A 39 9.038 -1.977 -3.379 1.00 0.24 C ATOM 620 C LEU A 39 9.667 -2.704 -4.563 1.00 0.26 C ATOM 621 O LEU A 39 9.720 -2.167 -5.673 1.00 0.34 O ATOM 622 CB LEU A 39 7.680 -1.380 -3.774 1.00 0.26 C ATOM 623 CG LEU A 39 6.581 -2.398 -4.105 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.209 -1.741 -4.046 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.821 -3.017 -5.475 1.00 0.41 C ATOM 0 H LEU A 39 10.481 -0.478 -3.630 1.00 0.24 H new ATOM 0 HA LEU A 39 8.876 -2.695 -2.575 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.330 -0.747 -2.959 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.825 -0.734 -4.640 1.00 0.26 H new ATOM 0 HG LEU A 39 6.612 -3.193 -3.360 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.442 -2.478 -4.284 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.037 -1.348 -3.044 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.165 -0.926 -4.768 1.00 0.38 H new ATOM 0 HD21 LEU A 39 6.032 -3.736 -5.693 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.818 -2.234 -6.234 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.786 -3.524 -5.481 1.00 0.41 H new ATOM 637 N SER A 40 10.157 -3.917 -4.316 1.00 0.25 N ATOM 638 CA SER A 40 10.794 -4.723 -5.355 1.00 0.28 C ATOM 639 C SER A 40 11.392 -6.007 -4.770 1.00 0.29 C ATOM 640 O SER A 40 11.162 -6.320 -3.602 1.00 0.38 O ATOM 641 CB SER A 40 11.891 -3.907 -6.053 1.00 0.36 C ATOM 642 OG SER A 40 11.374 -3.203 -7.173 1.00 0.55 O ATOM 0 H SER A 40 10.125 -4.365 -3.400 1.00 0.25 H new ATOM 0 HA SER A 40 10.032 -5.003 -6.082 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.328 -3.201 -5.347 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.692 -4.572 -6.376 1.00 0.36 H new ATOM 0 HG SER A 40 10.494 -2.834 -6.950 1.00 0.55 H new ATOM 648 N ALA A 41 12.119 -6.754 -5.616 1.00 0.33 N ATOM 649 CA ALA A 41 12.797 -7.998 -5.221 1.00 0.37 C ATOM 650 C ALA A 41 11.967 -9.248 -5.524 1.00 0.36 C ATOM 651 O ALA A 41 12.524 -10.342 -5.665 1.00 0.76 O ATOM 652 CB ALA A 41 13.204 -7.968 -3.754 1.00 0.46 C ATOM 0 H ALA A 41 12.253 -6.511 -6.597 1.00 0.33 H new ATOM 0 HA ALA A 41 13.699 -8.058 -5.830 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.702 -8.902 -3.495 1.00 0.46 H new ATOM 0 HB2 ALA A 41 13.885 -7.134 -3.582 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.317 -7.846 -3.133 1.00 0.46 H new ATOM 658 N GLU A 42 10.651 -9.097 -5.631 1.00 0.35 N ATOM 659 CA GLU A 42 9.775 -10.230 -5.921 1.00 0.30 C ATOM 660 C GLU A 42 9.703 -10.501 -7.431 1.00 0.33 C ATOM 661 O GLU A 42 10.385 -9.840 -8.217 1.00 0.51 O ATOM 662 CB GLU A 42 8.383 -9.982 -5.341 1.00 0.32 C ATOM 663 CG GLU A 42 8.337 -10.044 -3.822 1.00 0.54 C ATOM 664 CD GLU A 42 9.040 -11.269 -3.263 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.420 -12.350 -3.209 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.220 -11.156 -2.871 1.00 1.05 O ATOM 0 H GLU A 42 10.168 -8.205 -5.522 1.00 0.35 H new ATOM 0 HA GLU A 42 10.193 -11.119 -5.448 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.032 -9.003 -5.667 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.692 -10.721 -5.748 1.00 0.32 H new ATOM 0 HG2 GLU A 42 8.799 -9.146 -3.412 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.298 -10.046 -3.494 1.00 0.54 H new ATOM 673 N SER A 43 8.881 -11.472 -7.828 1.00 0.31 N ATOM 674 CA SER A 43 8.746 -11.843 -9.236 1.00 0.38 C ATOM 675 C SER A 43 7.803 -10.897 -9.990 1.00 0.34 C ATOM 676 O SER A 43 7.284 -9.933 -9.422 1.00 0.61 O ATOM 677 CB SER A 43 8.255 -13.291 -9.345 1.00 0.52 C ATOM 678 OG SER A 43 6.906 -13.417 -8.918 1.00 1.04 O ATOM 0 H SER A 43 8.298 -12.017 -7.193 1.00 0.31 H new ATOM 0 HA SER A 43 9.728 -11.757 -9.702 1.00 0.38 H new ATOM 0 HB2 SER A 43 8.344 -13.630 -10.377 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.891 -13.938 -8.741 1.00 0.52 H new ATOM 0 HG SER A 43 6.857 -14.049 -8.171 1.00 1.04 H new ATOM 684 N VAL A 44 7.593 -11.180 -11.278 1.00 0.39 N ATOM 685 CA VAL A 44 6.720 -10.368 -12.126 1.00 0.39 C ATOM 686 C VAL A 44 5.259 -10.464 -11.667 1.00 0.36 C ATOM 687 O VAL A 44 4.435 -11.158 -12.269 1.00 0.59 O ATOM 688 CB VAL A 44 6.848 -10.766 -13.622 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.573 -12.254 -13.824 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.925 -9.922 -14.494 1.00 0.58 C ATOM 0 H VAL A 44 8.020 -11.972 -11.758 1.00 0.39 H new ATOM 0 HA VAL A 44 7.044 -9.332 -12.026 1.00 0.39 H new ATOM 0 HB VAL A 44 7.876 -10.571 -13.928 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.670 -12.502 -14.881 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.290 -12.838 -13.247 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.562 -12.486 -13.488 1.00 0.60 H new ATOM 0 HG21 VAL A 44 6.035 -10.221 -15.536 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.892 -10.071 -14.181 1.00 0.58 H new ATOM 0 HG23 VAL A 44 6.188 -8.869 -14.389 1.00 0.58 H new ATOM 700 N GLY A 45 4.960 -9.767 -10.583 1.00 0.32 N ATOM 701 CA GLY A 45 3.621 -9.754 -10.024 1.00 0.33 C ATOM 702 C GLY A 45 3.662 -9.532 -8.531 1.00 0.28 C ATOM 703 O GLY A 45 3.037 -8.606 -8.006 1.00 0.33 O ATOM 0 H GLY A 45 5.634 -9.199 -10.070 1.00 0.32 H new ATOM 0 HA2 GLY A 45 3.033 -8.967 -10.497 1.00 0.33 H new ATOM 0 HA3 GLY A 45 3.123 -10.699 -10.242 1.00 0.33 H new ATOM 707 N GLU A 46 4.414 -10.385 -7.847 1.00 0.27 N ATOM 708 CA GLU A 46 4.570 -10.283 -6.407 1.00 0.28 C ATOM 709 C GLU A 46 5.418 -9.064 -6.080 1.00 0.24 C ATOM 710 O GLU A 46 6.331 -8.718 -6.833 1.00 0.31 O ATOM 711 CB GLU A 46 5.227 -11.545 -5.844 1.00 0.39 C ATOM 712 CG GLU A 46 4.428 -12.813 -6.103 1.00 0.51 C ATOM 713 CD GLU A 46 5.229 -14.073 -5.863 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.183 -14.333 -6.628 1.00 0.86 O ATOM 715 OE2 GLU A 46 4.897 -14.820 -4.923 1.00 0.82 O ATOM 0 H GLU A 46 4.927 -11.158 -8.272 1.00 0.27 H new ATOM 0 HA GLU A 46 3.586 -10.179 -5.950 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.219 -11.655 -6.282 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.364 -11.425 -4.769 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.548 -12.820 -5.460 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.070 -12.807 -7.132 1.00 0.51 H new ATOM 722 N VAL A 47 5.114 -8.404 -4.975 1.00 0.22 N ATOM 723 CA VAL A 47 5.861 -7.226 -4.576 1.00 0.25 C ATOM 724 C VAL A 47 6.064 -7.173 -3.067 1.00 0.23 C ATOM 725 O VAL A 47 5.179 -7.542 -2.290 1.00 0.29 O ATOM 726 CB VAL A 47 5.166 -5.928 -5.044 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.134 -5.857 -6.564 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.760 -5.825 -4.465 1.00 0.35 C ATOM 0 H VAL A 47 4.358 -8.663 -4.341 1.00 0.22 H new ATOM 0 HA VAL A 47 6.835 -7.300 -5.059 1.00 0.25 H new ATOM 0 HB VAL A 47 5.743 -5.080 -4.675 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.641 -4.936 -6.875 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.153 -5.871 -6.950 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.585 -6.713 -6.957 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.292 -4.903 -4.809 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.167 -6.678 -4.795 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.814 -5.820 -3.376 1.00 0.35 H new ATOM 738 N TYR A 48 7.250 -6.733 -2.668 1.00 0.22 N ATOM 739 CA TYR A 48 7.595 -6.596 -1.263 1.00 0.22 C ATOM 740 C TYR A 48 7.674 -5.115 -0.915 1.00 0.22 C ATOM 741 O TYR A 48 8.501 -4.387 -1.466 1.00 0.29 O ATOM 742 CB TYR A 48 8.927 -7.286 -0.966 1.00 0.25 C ATOM 743 CG TYR A 48 9.027 -7.785 0.455 1.00 0.35 C ATOM 744 CD1 TYR A 48 8.501 -9.021 0.812 1.00 0.49 C ATOM 745 CD2 TYR A 48 9.629 -7.015 1.440 1.00 0.58 C ATOM 746 CE1 TYR A 48 8.575 -9.474 2.113 1.00 0.66 C ATOM 747 CE2 TYR A 48 9.710 -7.463 2.742 1.00 0.74 C ATOM 748 CZ TYR A 48 9.181 -8.693 3.072 1.00 0.72 C ATOM 749 OH TYR A 48 9.249 -9.138 4.371 1.00 0.92 O ATOM 0 H TYR A 48 7.996 -6.462 -3.308 1.00 0.22 H new ATOM 0 HA TYR A 48 6.828 -7.074 -0.654 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.056 -8.125 -1.650 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.742 -6.589 -1.159 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.028 -9.635 0.060 1.00 0.49 H new ATOM 0 HD2 TYR A 48 10.040 -6.050 1.183 1.00 0.58 H new ATOM 0 HE1 TYR A 48 8.160 -10.435 2.378 1.00 0.66 H new ATOM 0 HE2 TYR A 48 10.184 -6.855 3.498 1.00 0.74 H new ATOM 0 HH TYR A 48 8.412 -8.925 4.834 1.00 0.92 H new ATOM 759 N ILE A 49 6.802 -4.672 -0.019 1.00 0.21 N ATOM 760 CA ILE A 49 6.749 -3.269 0.380 1.00 0.22 C ATOM 761 C ILE A 49 7.589 -2.999 1.627 1.00 0.23 C ATOM 762 O ILE A 49 7.237 -3.416 2.734 1.00 0.37 O ATOM 763 CB ILE A 49 5.295 -2.816 0.636 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.412 -3.141 -0.576 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.253 -1.327 0.941 1.00 0.30 C ATOM 766 CD1 ILE A 49 2.942 -2.859 -0.351 1.00 0.38 C ATOM 0 H ILE A 49 6.118 -5.267 0.448 1.00 0.21 H new ATOM 0 HA ILE A 49 7.164 -2.695 -0.448 1.00 0.22 H new ATOM 0 HB ILE A 49 4.908 -3.358 1.499 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.757 -2.561 -1.432 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.536 -4.193 -0.833 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.222 -1.021 1.119 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.852 -1.120 1.828 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.655 -0.771 0.094 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.381 -3.113 -1.250 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.580 -3.459 0.484 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.805 -1.802 -0.124 1.00 0.38 H new ATOM 778 N LYS A 50 8.695 -2.288 1.446 1.00 0.21 N ATOM 779 CA LYS A 50 9.578 -1.951 2.553 1.00 0.25 C ATOM 780 C LYS A 50 9.538 -0.452 2.829 1.00 0.21 C ATOM 781 O LYS A 50 10.094 0.347 2.073 1.00 0.26 O ATOM 782 CB LYS A 50 11.015 -2.403 2.267 1.00 0.34 C ATOM 783 CG LYS A 50 11.940 -2.272 3.471 1.00 0.49 C ATOM 784 CD LYS A 50 13.220 -3.078 3.295 1.00 0.73 C ATOM 785 CE LYS A 50 14.300 -2.287 2.565 1.00 1.35 C ATOM 786 NZ LYS A 50 14.705 -1.065 3.312 1.00 1.74 N ATOM 0 H LYS A 50 9.001 -1.933 0.540 1.00 0.21 H new ATOM 0 HA LYS A 50 9.226 -2.479 3.439 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.003 -3.442 1.939 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.417 -1.813 1.443 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.190 -1.222 3.624 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.419 -2.609 4.367 1.00 0.49 H new ATOM 0 HD2 LYS A 50 13.593 -3.383 4.273 1.00 0.73 H new ATOM 0 HD3 LYS A 50 13.000 -3.989 2.739 1.00 0.73 H new ATOM 0 HE2 LYS A 50 15.172 -2.923 2.412 1.00 1.35 H new ATOM 0 HE3 LYS A 50 13.935 -2.003 1.578 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 15.735 -0.942 3.244 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.229 -0.235 2.904 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 14.434 -1.163 4.311 1.00 1.74 H new ATOM 800 N SER A 51 8.845 -0.075 3.894 1.00 0.24 N ATOM 801 CA SER A 51 8.740 1.322 4.283 1.00 0.25 C ATOM 802 C SER A 51 9.951 1.719 5.120 1.00 0.25 C ATOM 803 O SER A 51 10.163 1.174 6.201 1.00 0.33 O ATOM 804 CB SER A 51 7.445 1.557 5.068 1.00 0.32 C ATOM 805 OG SER A 51 6.307 1.443 4.225 1.00 0.53 O ATOM 0 H SER A 51 8.346 -0.721 4.506 1.00 0.24 H new ATOM 0 HA SER A 51 8.716 1.940 3.386 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.373 0.834 5.881 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.467 2.547 5.523 1.00 0.32 H new ATOM 0 HG SER A 51 6.362 0.609 3.713 1.00 0.53 H new ATOM 811 N THR A 52 10.751 2.649 4.602 1.00 0.24 N ATOM 812 CA THR A 52 11.951 3.122 5.287 1.00 0.28 C ATOM 813 C THR A 52 13.092 2.126 5.092 1.00 0.28 C ATOM 814 O THR A 52 12.871 0.915 5.072 1.00 0.34 O ATOM 815 CB THR A 52 11.703 3.342 6.799 1.00 0.32 C ATOM 816 OG1 THR A 52 10.557 4.187 7.001 1.00 0.35 O ATOM 817 CG2 THR A 52 12.922 3.957 7.470 1.00 0.38 C ATOM 0 H THR A 52 10.586 3.094 3.699 1.00 0.24 H new ATOM 0 HA THR A 52 12.221 4.083 4.849 1.00 0.28 H new ATOM 0 HB THR A 52 11.514 2.369 7.252 1.00 0.32 H new ATOM 0 HG1 THR A 52 9.750 3.634 7.064 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.719 4.100 8.531 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.777 3.292 7.350 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.144 4.920 7.010 1.00 0.38 H new ATOM 825 N GLU A 53 14.308 2.639 4.928 1.00 0.31 N ATOM 826 CA GLU A 53 15.467 1.779 4.734 1.00 0.35 C ATOM 827 C GLU A 53 15.596 0.795 5.895 1.00 0.31 C ATOM 828 O GLU A 53 15.720 -0.412 5.682 1.00 0.37 O ATOM 829 CB GLU A 53 16.742 2.612 4.585 1.00 0.43 C ATOM 830 CG GLU A 53 17.928 1.816 4.065 1.00 0.47 C ATOM 831 CD GLU A 53 17.613 1.072 2.781 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.042 -0.037 2.857 1.00 0.74 O ATOM 833 OE2 GLU A 53 17.921 1.596 1.690 1.00 0.73 O ATOM 0 H GLU A 53 14.514 3.638 4.926 1.00 0.31 H new ATOM 0 HA GLU A 53 15.326 1.212 3.814 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.547 3.443 3.907 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.000 3.044 5.552 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.767 2.491 3.893 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.244 1.102 4.826 1.00 0.47 H new ATOM 840 N THR A 54 15.552 1.318 7.118 1.00 0.28 N ATOM 841 CA THR A 54 15.648 0.486 8.312 1.00 0.31 C ATOM 842 C THR A 54 14.794 1.055 9.449 1.00 0.33 C ATOM 843 O THR A 54 14.553 2.265 9.506 1.00 0.52 O ATOM 844 CB THR A 54 17.111 0.361 8.787 1.00 0.40 C ATOM 845 OG1 THR A 54 17.753 1.647 8.757 1.00 0.63 O ATOM 846 CG2 THR A 54 17.883 -0.621 7.915 1.00 0.68 C ATOM 0 H THR A 54 15.450 2.315 7.307 1.00 0.28 H new ATOM 0 HA THR A 54 15.275 -0.503 8.046 1.00 0.31 H new ATOM 0 HB THR A 54 17.105 -0.015 9.810 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.680 1.557 9.062 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.911 -0.692 8.270 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.412 -1.603 7.968 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.879 -0.272 6.882 1.00 0.68 H new ATOM 854 N GLY A 55 14.317 0.182 10.335 1.00 0.39 N ATOM 855 CA GLY A 55 13.512 0.627 11.463 1.00 0.44 C ATOM 856 C GLY A 55 12.025 0.389 11.264 1.00 0.42 C ATOM 857 O GLY A 55 11.307 0.075 12.219 1.00 0.76 O ATOM 0 H GLY A 55 14.473 -0.825 10.292 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.840 0.107 12.363 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.685 1.690 11.628 1.00 0.44 H new ATOM 861 N GLN A 56 11.555 0.540 10.029 1.00 0.34 N ATOM 862 CA GLN A 56 10.144 0.347 9.711 1.00 0.30 C ATOM 863 C GLN A 56 9.932 -0.963 8.954 1.00 0.27 C ATOM 864 O GLN A 56 10.893 -1.600 8.519 1.00 0.38 O ATOM 865 CB GLN A 56 9.623 1.527 8.888 1.00 0.37 C ATOM 866 CG GLN A 56 8.877 2.565 9.707 1.00 0.49 C ATOM 867 CD GLN A 56 7.525 2.062 10.174 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.541 2.150 9.447 1.00 1.02 O ATOM 869 NE2 GLN A 56 7.467 1.538 11.389 1.00 0.89 N ATOM 0 H GLN A 56 12.134 0.797 9.229 1.00 0.34 H new ATOM 0 HA GLN A 56 9.585 0.294 10.645 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.464 2.008 8.388 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.962 1.150 8.108 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.478 2.843 10.573 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.741 3.467 9.110 1.00 0.49 H new ATOM 0 HE21 GLN A 56 8.309 1.484 11.962 1.00 0.89 H new ATOM 0 HE22 GLN A 56 6.580 1.189 11.752 1.00 0.89 H new ATOM 878 N TYR A 57 8.673 -1.361 8.808 1.00 0.24 N ATOM 879 CA TYR A 57 8.325 -2.595 8.110 1.00 0.23 C ATOM 880 C TYR A 57 6.832 -2.609 7.792 1.00 0.25 C ATOM 881 O TYR A 57 6.001 -2.563 8.697 1.00 0.42 O ATOM 882 CB TYR A 57 8.701 -3.805 8.975 1.00 0.26 C ATOM 883 CG TYR A 57 8.478 -5.145 8.307 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.204 -5.697 8.213 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.545 -5.864 7.786 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.004 -6.926 7.615 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.353 -7.094 7.190 1.00 0.73 C ATOM 888 CZ TYR A 57 8.080 -7.623 7.107 1.00 0.79 C ATOM 889 OH TYR A 57 7.883 -8.858 6.520 1.00 1.03 O ATOM 0 H TYR A 57 7.871 -0.843 9.166 1.00 0.24 H new ATOM 0 HA TYR A 57 8.880 -2.648 7.174 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.751 -3.723 9.256 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.121 -3.771 9.897 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.359 -5.156 8.614 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.542 -5.454 7.848 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.009 -7.339 7.546 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.195 -7.640 6.790 1.00 0.73 H new ATOM 0 HH TYR A 57 8.748 -9.301 6.392 1.00 1.03 H new ATOM 899 N LEU A 58 6.496 -2.673 6.508 1.00 0.20 N ATOM 900 CA LEU A 58 5.101 -2.674 6.083 1.00 0.22 C ATOM 901 C LEU A 58 4.502 -4.071 6.214 1.00 0.23 C ATOM 902 O LEU A 58 4.984 -5.024 5.594 1.00 0.30 O ATOM 903 CB LEU A 58 4.986 -2.176 4.636 1.00 0.27 C ATOM 904 CG LEU A 58 3.600 -1.676 4.205 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.593 -2.818 4.184 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.124 -0.554 5.123 1.00 0.38 C ATOM 0 H LEU A 58 7.170 -2.725 5.744 1.00 0.20 H new ATOM 0 HA LEU A 58 4.542 -1.998 6.730 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.703 -1.367 4.493 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.282 -2.986 3.969 1.00 0.27 H new ATOM 0 HG LEU A 58 3.682 -1.279 3.193 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.619 -2.438 3.876 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.924 -3.582 3.481 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.514 -3.252 5.181 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.140 -0.213 4.801 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.063 -0.923 6.147 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.828 0.277 5.078 1.00 0.38 H new ATOM 918 N ALA A 59 3.459 -4.186 7.026 1.00 0.23 N ATOM 919 CA ALA A 59 2.790 -5.459 7.241 1.00 0.27 C ATOM 920 C ALA A 59 1.275 -5.294 7.209 1.00 0.24 C ATOM 921 O ALA A 59 0.746 -4.234 7.558 1.00 0.26 O ATOM 922 CB ALA A 59 3.230 -6.070 8.561 1.00 0.35 C ATOM 0 H ALA A 59 3.058 -3.407 7.548 1.00 0.23 H new ATOM 0 HA ALA A 59 3.073 -6.132 6.431 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.721 -7.023 8.709 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.308 -6.233 8.545 1.00 0.35 H new ATOM 0 HB3 ALA A 59 2.977 -5.393 9.377 1.00 0.35 H new ATOM 928 N MET A 60 0.585 -6.347 6.785 1.00 0.28 N ATOM 929 CA MET A 60 -0.873 -6.336 6.706 1.00 0.30 C ATOM 930 C MET A 60 -1.475 -7.155 7.840 1.00 0.26 C ATOM 931 O MET A 60 -0.992 -8.243 8.152 1.00 0.44 O ATOM 932 CB MET A 60 -1.349 -6.903 5.360 1.00 0.40 C ATOM 933 CG MET A 60 -1.052 -8.388 5.178 1.00 0.73 C ATOM 934 SD MET A 60 -1.886 -9.110 3.747 1.00 0.93 S ATOM 935 CE MET A 60 -3.555 -9.262 4.374 1.00 1.97 C ATOM 0 H MET A 60 1.014 -7.224 6.489 1.00 0.28 H new ATOM 0 HA MET A 60 -1.205 -5.301 6.794 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.423 -6.743 5.268 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.874 -6.345 4.553 1.00 0.40 H new ATOM 0 HG2 MET A 60 0.024 -8.526 5.071 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.355 -8.925 6.077 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.153 -9.852 3.679 1.00 1.97 H new ATOM 0 HE2 MET A 60 -3.535 -9.756 5.345 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.995 -8.271 4.480 1.00 1.97 H new ATOM 945 N ASP A 61 -2.525 -6.629 8.457 1.00 0.30 N ATOM 946 CA ASP A 61 -3.199 -7.329 9.542 1.00 0.31 C ATOM 947 C ASP A 61 -4.298 -8.226 8.978 1.00 0.29 C ATOM 948 O ASP A 61 -5.014 -7.839 8.046 1.00 0.34 O ATOM 949 CB ASP A 61 -3.789 -6.341 10.549 1.00 0.42 C ATOM 950 CG ASP A 61 -4.314 -7.036 11.790 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.417 -7.616 11.729 1.00 0.96 O ATOM 952 OD2 ASP A 61 -3.619 -7.009 12.830 1.00 0.94 O ATOM 0 H ASP A 61 -2.928 -5.721 8.225 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.465 -7.944 10.062 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.026 -5.617 10.835 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.598 -5.783 10.077 1.00 0.42 H new ATOM 957 N THR A 62 -4.429 -9.420 9.549 1.00 0.37 N ATOM 958 CA THR A 62 -5.420 -10.390 9.097 1.00 0.44 C ATOM 959 C THR A 62 -6.845 -9.819 9.128 1.00 0.41 C ATOM 960 O THR A 62 -7.672 -10.160 8.277 1.00 0.50 O ATOM 961 CB THR A 62 -5.357 -11.688 9.937 1.00 0.59 C ATOM 962 OG1 THR A 62 -6.148 -12.714 9.322 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.842 -11.453 11.363 1.00 0.74 C ATOM 0 H THR A 62 -3.857 -9.740 10.331 1.00 0.37 H new ATOM 0 HA THR A 62 -5.173 -10.625 8.062 1.00 0.44 H new ATOM 0 HB THR A 62 -4.315 -12.006 9.979 1.00 0.59 H new ATOM 0 HG1 THR A 62 -6.100 -13.531 9.861 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.784 -12.385 11.925 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.214 -10.701 11.842 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.875 -11.104 11.343 1.00 0.74 H new ATOM 971 N ASP A 63 -7.129 -8.935 10.084 1.00 0.36 N ATOM 972 CA ASP A 63 -8.464 -8.349 10.204 1.00 0.41 C ATOM 973 C ASP A 63 -8.806 -7.493 8.983 1.00 0.40 C ATOM 974 O ASP A 63 -9.948 -7.493 8.522 1.00 0.65 O ATOM 975 CB ASP A 63 -8.583 -7.529 11.493 1.00 0.47 C ATOM 976 CG ASP A 63 -9.722 -6.528 11.448 1.00 0.62 C ATOM 977 OD1 ASP A 63 -10.874 -6.918 11.731 1.00 0.82 O ATOM 978 OD2 ASP A 63 -9.468 -5.350 11.135 1.00 0.75 O ATOM 0 H ASP A 63 -6.459 -8.611 10.781 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.184 -9.166 10.250 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.731 -8.204 12.336 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -7.647 -7.000 11.670 1.00 0.47 H new ATOM 983 N GLY A 64 -7.820 -6.773 8.453 1.00 0.45 N ATOM 984 CA GLY A 64 -8.064 -5.947 7.281 1.00 0.50 C ATOM 985 C GLY A 64 -7.495 -4.548 7.397 1.00 0.43 C ATOM 986 O GLY A 64 -8.178 -3.571 7.070 1.00 0.64 O ATOM 0 H GLY A 64 -6.865 -6.746 8.810 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.632 -6.435 6.407 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -9.139 -5.880 7.111 1.00 0.50 H new ATOM 990 N LEU A 65 -6.243 -4.452 7.828 1.00 0.40 N ATOM 991 CA LEU A 65 -5.569 -3.168 7.979 1.00 0.34 C ATOM 992 C LEU A 65 -4.081 -3.335 7.680 1.00 0.33 C ATOM 993 O LEU A 65 -3.531 -4.424 7.852 1.00 0.60 O ATOM 994 CB LEU A 65 -5.772 -2.630 9.404 1.00 0.37 C ATOM 995 CG LEU A 65 -6.175 -1.151 9.517 1.00 0.71 C ATOM 996 CD1 LEU A 65 -5.030 -0.239 9.101 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.413 -0.865 8.678 1.00 1.16 C ATOM 0 H LEU A 65 -5.669 -5.256 8.081 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.994 -2.452 7.276 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.538 -3.233 9.892 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.847 -2.777 9.961 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.409 -0.947 10.562 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -5.343 0.801 9.191 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -4.170 -0.417 9.747 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.756 -0.448 8.067 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.681 0.187 8.772 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -7.205 -1.094 7.633 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.240 -1.483 9.028 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.442 -2.276 7.201 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.015 -2.312 6.893 1.00 0.36 C ATOM 1011 C LEU A 66 -1.268 -1.394 7.850 1.00 0.34 C ATOM 1012 O LEU A 66 -1.725 -0.285 8.131 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.762 -1.898 5.440 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.206 -2.919 4.387 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -3.719 -2.923 4.233 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.538 -2.630 3.053 1.00 0.61 C ATOM 0 H LEU A 66 -3.889 -1.378 7.016 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.650 -3.332 7.017 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.278 -0.957 5.251 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.696 -1.708 5.313 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.898 -3.908 4.725 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.006 -3.657 3.480 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.181 -3.182 5.186 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.056 -1.934 3.923 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -1.864 -3.364 2.316 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -1.815 -1.631 2.717 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.456 -2.687 3.168 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.125 -1.848 8.350 1.00 0.28 N ATOM 1029 CA TYR A 67 0.647 -1.057 9.302 1.00 0.33 C ATOM 1030 C TYR A 67 2.146 -1.149 9.044 1.00 0.30 C ATOM 1031 O TYR A 67 2.611 -1.995 8.271 1.00 0.32 O ATOM 1032 CB TYR A 67 0.342 -1.512 10.732 1.00 0.43 C ATOM 1033 CG TYR A 67 0.555 -2.992 10.958 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.797 -3.485 11.333 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -0.486 -3.896 10.792 1.00 0.45 C ATOM 1036 CE1 TYR A 67 1.995 -4.837 11.539 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -0.297 -5.248 10.996 1.00 0.55 C ATOM 1038 CZ TYR A 67 0.943 -5.714 11.369 1.00 0.63 C ATOM 1039 OH TYR A 67 1.129 -7.064 11.569 1.00 0.80 O ATOM 0 H TYR A 67 0.286 -2.752 8.115 1.00 0.28 H new ATOM 0 HA TYR A 67 0.352 -0.016 9.172 1.00 0.33 H new ATOM 0 HB2 TYR A 67 0.973 -0.953 11.424 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.692 -1.262 10.971 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.622 -2.801 11.466 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -1.461 -3.535 10.498 1.00 0.45 H new ATOM 0 HE1 TYR A 67 2.967 -5.205 11.831 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -1.118 -5.937 10.864 1.00 0.55 H new ATOM 0 HH TYR A 67 0.286 -7.538 11.408 1.00 0.80 H new ATOM 1049 N GLY A 68 2.892 -0.266 9.701 1.00 0.34 N ATOM 1050 CA GLY A 68 4.331 -0.239 9.568 1.00 0.38 C ATOM 1051 C GLY A 68 5.022 -0.503 10.893 1.00 0.52 C ATOM 1052 O GLY A 68 5.207 0.414 11.698 1.00 1.27 O ATOM 0 H GLY A 68 2.514 0.441 10.332 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.643 -0.987 8.839 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.643 0.732 9.182 1.00 0.38 H new ATOM 1056 N SER A 69 5.401 -1.751 11.118 1.00 0.36 N ATOM 1057 CA SER A 69 6.067 -2.144 12.352 1.00 0.39 C ATOM 1058 C SER A 69 7.011 -3.318 12.091 1.00 0.32 C ATOM 1059 O SER A 69 6.663 -4.254 11.368 1.00 0.37 O ATOM 1060 CB SER A 69 5.031 -2.512 13.419 1.00 0.51 C ATOM 1061 OG SER A 69 4.020 -1.518 13.516 1.00 1.23 O ATOM 0 H SER A 69 5.258 -2.515 10.458 1.00 0.36 H new ATOM 0 HA SER A 69 6.655 -1.303 12.719 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.578 -3.473 13.174 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.524 -2.629 14.384 1.00 0.51 H new ATOM 0 HG SER A 69 4.398 -0.704 13.910 1.00 1.23 H new ATOM 1067 N GLN A 70 8.208 -3.252 12.674 1.00 0.31 N ATOM 1068 CA GLN A 70 9.212 -4.297 12.499 1.00 0.33 C ATOM 1069 C GLN A 70 8.660 -5.665 12.894 1.00 0.32 C ATOM 1070 O GLN A 70 8.608 -6.010 14.077 1.00 0.45 O ATOM 1071 CB GLN A 70 10.471 -3.981 13.315 1.00 0.43 C ATOM 1072 CG GLN A 70 11.741 -3.934 12.477 1.00 0.61 C ATOM 1073 CD GLN A 70 12.009 -5.232 11.730 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.623 -6.312 12.175 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.670 -5.133 10.587 1.00 1.29 N ATOM 0 H GLN A 70 8.505 -2.482 13.273 1.00 0.31 H new ATOM 0 HA GLN A 70 9.477 -4.327 11.442 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.339 -3.021 13.815 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.587 -4.733 14.095 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.666 -3.117 11.759 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.589 -3.712 13.125 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.974 -4.219 10.251 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.876 -5.971 10.043 1.00 1.29 H new ATOM 1084 N THR A 71 8.211 -6.415 11.899 1.00 0.29 N ATOM 1085 CA THR A 71 7.672 -7.750 12.108 1.00 0.33 C ATOM 1086 C THR A 71 7.740 -8.548 10.807 1.00 0.30 C ATOM 1087 O THR A 71 6.771 -8.604 10.049 1.00 0.38 O ATOM 1088 CB THR A 71 6.213 -7.702 12.619 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.102 -6.790 13.724 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.742 -9.085 13.052 1.00 0.58 C ATOM 0 H THR A 71 8.210 -6.115 10.924 1.00 0.29 H new ATOM 0 HA THR A 71 8.278 -8.239 12.871 1.00 0.33 H new ATOM 0 HB THR A 71 5.582 -7.357 11.800 1.00 0.43 H new ATOM 0 HG1 THR A 71 6.963 -6.732 14.188 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.713 -9.024 13.407 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.794 -9.769 12.205 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.382 -9.453 13.854 1.00 0.58 H new ATOM 1098 N PRO A 72 8.904 -9.153 10.519 1.00 0.30 N ATOM 1099 CA PRO A 72 9.111 -9.935 9.295 1.00 0.33 C ATOM 1100 C PRO A 72 8.210 -11.167 9.232 1.00 0.31 C ATOM 1101 O PRO A 72 8.352 -12.084 10.044 1.00 0.44 O ATOM 1102 CB PRO A 72 10.585 -10.345 9.373 1.00 0.44 C ATOM 1103 CG PRO A 72 10.929 -10.266 10.818 1.00 0.50 C ATOM 1104 CD PRO A 72 10.109 -9.137 11.369 1.00 0.41 C ATOM 0 HA PRO A 72 8.866 -9.362 8.401 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.736 -11.353 8.986 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.212 -9.679 8.781 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.699 -11.202 11.327 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.994 -10.081 10.957 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.863 -9.292 12.420 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.637 -8.186 11.302 1.00 0.41 H new ATOM 1112 N ASN A 73 7.278 -11.184 8.278 1.00 0.28 N ATOM 1113 CA ASN A 73 6.374 -12.319 8.127 1.00 0.31 C ATOM 1114 C ASN A 73 5.743 -12.343 6.733 1.00 0.28 C ATOM 1115 O ASN A 73 5.731 -11.329 6.026 1.00 0.31 O ATOM 1116 CB ASN A 73 5.290 -12.278 9.209 1.00 0.38 C ATOM 1117 CG ASN A 73 4.782 -13.662 9.580 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.607 -14.527 8.720 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.547 -13.883 10.867 1.00 1.26 N ATOM 0 H ASN A 73 7.132 -10.431 7.605 1.00 0.28 H new ATOM 0 HA ASN A 73 6.954 -13.234 8.244 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.688 -11.791 10.099 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.455 -11.670 8.859 1.00 0.38 H new ATOM 0 HD21 ASN A 73 4.209 -14.795 11.174 1.00 1.26 H new ATOM 0 HD22 ASN A 73 4.704 -13.141 11.549 1.00 1.26 H new ATOM 1126 N GLU A 74 5.202 -13.500 6.360 1.00 0.28 N ATOM 1127 CA GLU A 74 4.576 -13.702 5.045 1.00 0.30 C ATOM 1128 C GLU A 74 3.601 -12.579 4.688 1.00 0.28 C ATOM 1129 O GLU A 74 3.434 -12.240 3.514 1.00 0.31 O ATOM 1130 CB GLU A 74 3.818 -15.027 5.014 1.00 0.37 C ATOM 1131 CG GLU A 74 4.635 -16.230 5.450 1.00 0.45 C ATOM 1132 CD GLU A 74 3.792 -17.480 5.546 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.111 -17.660 6.577 1.00 0.66 O ATOM 1134 OE2 GLU A 74 3.788 -18.279 4.590 1.00 0.79 O ATOM 0 H GLU A 74 5.182 -14.327 6.957 1.00 0.28 H new ATOM 0 HA GLU A 74 5.384 -13.706 4.314 1.00 0.30 H new ATOM 0 HB2 GLU A 74 2.943 -14.945 5.658 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.454 -15.199 4.001 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.447 -16.393 4.741 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.093 -16.026 6.418 1.00 0.45 H new ATOM 1141 N GLU A 75 2.953 -12.017 5.701 1.00 0.28 N ATOM 1142 CA GLU A 75 1.974 -10.944 5.505 1.00 0.30 C ATOM 1143 C GLU A 75 2.515 -9.816 4.612 1.00 0.34 C ATOM 1144 O GLU A 75 1.741 -9.083 4.002 1.00 0.60 O ATOM 1145 CB GLU A 75 1.530 -10.362 6.852 1.00 0.37 C ATOM 1146 CG GLU A 75 1.265 -11.407 7.932 1.00 0.49 C ATOM 1147 CD GLU A 75 0.660 -12.691 7.389 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.446 -12.642 6.822 1.00 1.21 O ATOM 1149 OE2 GLU A 75 1.293 -13.761 7.539 1.00 1.26 O ATOM 0 H GLU A 75 3.086 -12.286 6.676 1.00 0.28 H new ATOM 0 HA GLU A 75 1.118 -11.391 4.999 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.298 -9.675 7.208 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.624 -9.776 6.700 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.201 -11.641 8.440 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.594 -10.985 8.680 1.00 0.49 H new ATOM 1156 N CYS A 76 3.838 -9.684 4.538 1.00 0.25 N ATOM 1157 CA CYS A 76 4.460 -8.641 3.725 1.00 0.28 C ATOM 1158 C CYS A 76 4.447 -8.988 2.225 1.00 0.28 C ATOM 1159 O CYS A 76 4.856 -8.171 1.396 1.00 0.36 O ATOM 1160 CB CYS A 76 5.899 -8.405 4.197 1.00 0.31 C ATOM 1161 SG CYS A 76 6.506 -6.720 3.936 1.00 0.49 S ATOM 0 H CYS A 76 4.499 -10.285 5.030 1.00 0.25 H new ATOM 0 HA CYS A 76 3.875 -7.730 3.853 1.00 0.28 H new ATOM 0 HB2 CYS A 76 5.963 -8.641 5.259 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.558 -9.100 3.676 1.00 0.31 H new ATOM 0 HG CYS A 76 5.937 -5.917 4.785 1.00 0.49 H new ATOM 1167 N LEU A 77 3.988 -10.190 1.869 1.00 0.27 N ATOM 1168 CA LEU A 77 3.942 -10.599 0.465 1.00 0.31 C ATOM 1169 C LEU A 77 2.674 -10.080 -0.215 1.00 0.25 C ATOM 1170 O LEU A 77 1.576 -10.619 -0.016 1.00 0.31 O ATOM 1171 CB LEU A 77 4.028 -12.126 0.339 1.00 0.41 C ATOM 1172 CG LEU A 77 5.441 -12.715 0.430 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.333 -12.146 -0.667 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.051 -12.452 1.800 1.00 0.58 C ATOM 0 H LEU A 77 3.646 -10.891 2.527 1.00 0.27 H new ATOM 0 HA LEU A 77 4.804 -10.162 -0.038 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.415 -12.573 1.122 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.591 -12.420 -0.615 1.00 0.41 H new ATOM 0 HG LEU A 77 5.366 -13.793 0.290 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.331 -12.577 -0.585 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.912 -12.391 -1.642 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.395 -11.063 -0.560 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.053 -12.879 1.840 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.107 -11.377 1.973 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.430 -12.911 2.569 1.00 0.58 H new ATOM 1186 N PHE A 78 2.831 -9.035 -1.024 1.00 0.21 N ATOM 1187 CA PHE A 78 1.707 -8.430 -1.729 1.00 0.21 C ATOM 1188 C PHE A 78 1.862 -8.570 -3.243 1.00 0.19 C ATOM 1189 O PHE A 78 2.940 -8.905 -3.744 1.00 0.23 O ATOM 1190 CB PHE A 78 1.582 -6.946 -1.366 1.00 0.26 C ATOM 1191 CG PHE A 78 1.460 -6.680 0.107 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.264 -6.903 0.767 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.542 -6.198 0.828 1.00 0.32 C ATOM 1194 CE1 PHE A 78 0.147 -6.652 2.121 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.432 -5.946 2.182 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.233 -6.172 2.829 1.00 0.45 C ATOM 0 H PHE A 78 3.730 -8.589 -1.207 1.00 0.21 H new ATOM 0 HA PHE A 78 0.804 -8.957 -1.420 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.454 -6.415 -1.748 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.710 -6.532 -1.872 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.587 -7.277 0.218 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.481 -6.018 0.326 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.791 -6.831 2.625 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.282 -5.573 2.734 1.00 0.38 H new ATOM 0 HZ PHE A 78 1.144 -5.974 3.887 1.00 0.45 H new ATOM 1206 N LEU A 79 0.771 -8.320 -3.954 1.00 0.21 N ATOM 1207 CA LEU A 79 0.741 -8.386 -5.410 1.00 0.21 C ATOM 1208 C LEU A 79 0.415 -6.999 -5.960 1.00 0.20 C ATOM 1209 O LEU A 79 -0.628 -6.428 -5.619 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.319 -9.402 -5.861 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.145 -9.986 -7.270 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.083 -8.887 -8.321 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.099 -10.861 -7.330 1.00 0.35 C ATOM 0 H LEU A 79 -0.123 -8.064 -3.535 1.00 0.21 H new ATOM 0 HA LEU A 79 1.711 -8.707 -5.789 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.328 -10.226 -5.148 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.297 -8.923 -5.807 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.016 -10.603 -7.490 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.041 -9.334 -9.308 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.007 -8.309 -8.298 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.762 -8.231 -8.112 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.209 -11.268 -8.335 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.976 -10.264 -7.082 1.00 0.35 H new ATOM 0 HD23 LEU A 79 1.003 -11.679 -6.616 1.00 0.35 H new ATOM 1225 N GLU A 80 1.304 -6.455 -6.787 1.00 0.21 N ATOM 1226 CA GLU A 80 1.100 -5.129 -7.366 1.00 0.22 C ATOM 1227 C GLU A 80 0.692 -5.241 -8.831 1.00 0.22 C ATOM 1228 O GLU A 80 1.508 -5.587 -9.687 1.00 0.35 O ATOM 1229 CB GLU A 80 2.373 -4.276 -7.242 1.00 0.28 C ATOM 1230 CG GLU A 80 2.248 -2.880 -7.844 1.00 0.33 C ATOM 1231 CD GLU A 80 3.507 -2.042 -7.677 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.556 -2.403 -8.250 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.457 -1.004 -6.978 1.00 0.45 O ATOM 0 H GLU A 80 2.171 -6.911 -7.071 1.00 0.21 H new ATOM 0 HA GLU A 80 0.298 -4.641 -6.812 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.634 -4.183 -6.188 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.196 -4.798 -7.730 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.016 -2.968 -8.905 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.410 -2.363 -7.376 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.574 -4.968 -9.115 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.072 -5.021 -10.483 1.00 0.23 C ATOM 1242 C ARG A 81 -1.216 -3.605 -11.033 1.00 0.20 C ATOM 1243 O ARG A 81 -2.155 -2.882 -10.685 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.411 -5.757 -10.556 1.00 0.29 C ATOM 1245 CG ARG A 81 -2.953 -5.862 -11.973 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.342 -6.477 -12.012 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.926 -6.402 -13.349 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.215 -6.618 -13.628 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.066 -6.962 -12.663 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.651 -6.504 -14.877 1.00 1.02 N ATOM 0 H ARG A 81 -1.273 -4.708 -8.419 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.354 -5.573 -11.090 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.292 -6.759 -10.143 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.139 -5.239 -9.932 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -2.984 -4.870 -12.423 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.274 -6.464 -12.576 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.288 -7.519 -11.696 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -4.989 -5.961 -11.302 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.306 -6.168 -14.124 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.735 -7.062 -11.703 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.048 -7.125 -12.884 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -6.002 -6.252 -15.623 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.635 -6.669 -15.091 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.286 -3.213 -11.893 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.293 -1.878 -12.474 1.00 0.24 C ATOM 1266 C LEU A 82 -0.974 -1.870 -13.837 1.00 0.27 C ATOM 1267 O LEU A 82 -0.444 -2.404 -14.811 1.00 0.40 O ATOM 1268 CB LEU A 82 1.143 -1.350 -12.595 1.00 0.32 C ATOM 1269 CG LEU A 82 1.278 0.038 -13.228 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.595 1.094 -12.369 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.746 0.381 -13.439 1.00 0.54 C ATOM 0 H LEU A 82 0.485 -3.803 -12.204 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.861 -1.224 -11.813 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.588 -1.322 -11.600 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.725 -2.058 -13.185 1.00 0.32 H new ATOM 0 HG LEU A 82 0.783 0.024 -14.199 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.704 2.071 -12.839 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.464 0.855 -12.271 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.055 1.113 -11.381 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.827 1.370 -13.890 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.262 0.376 -12.479 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.201 -0.357 -14.100 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.158 -1.273 -13.898 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.888 -1.175 -15.153 1.00 0.36 C ATOM 1285 C GLU A 83 -2.198 -0.173 -16.079 1.00 0.44 C ATOM 1286 O GLU A 83 -2.384 -0.210 -17.293 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.333 -0.748 -14.903 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.214 -0.831 -16.144 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.635 -0.380 -15.881 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.405 -1.150 -15.267 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -6.989 0.747 -16.283 1.00 1.24 O ATOM 0 H GLU A 83 -2.630 -0.852 -13.098 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.896 -2.156 -15.628 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.759 -1.377 -14.121 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.342 0.276 -14.529 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.782 -0.216 -16.933 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.224 -1.858 -16.509 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.415 0.731 -15.474 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.661 1.764 -16.190 1.00 0.38 C ATOM 1300 C GLU A 84 -1.484 3.043 -16.339 1.00 0.31 C ATOM 1301 O GLU A 84 -0.927 4.142 -16.331 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.155 1.260 -17.556 1.00 0.50 C ATOM 1303 CG GLU A 84 -0.890 1.840 -18.758 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.328 1.348 -20.073 1.00 0.94 C ATOM 1305 OE1 GLU A 84 0.730 1.848 -20.498 1.00 1.23 O ATOM 1306 OE2 GLU A 84 -0.941 0.452 -20.690 1.00 1.14 O ATOM 0 H GLU A 84 -1.287 0.764 -14.463 1.00 0.37 H new ATOM 0 HA GLU A 84 0.218 2.000 -15.590 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.905 1.497 -17.646 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.242 0.174 -17.583 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -1.946 1.576 -18.696 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -0.831 2.928 -18.726 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.805 2.902 -16.468 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.690 4.055 -16.608 1.00 0.37 C ATOM 1315 C ASN A 85 -3.723 4.872 -15.318 1.00 0.29 C ATOM 1316 O ASN A 85 -4.720 4.886 -14.597 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.105 3.613 -16.995 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.092 4.769 -17.045 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.726 5.918 -17.316 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.353 4.475 -16.775 1.00 0.79 N ATOM 0 H ASN A 85 -3.283 2.001 -16.478 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.297 4.685 -17.406 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.074 3.125 -17.969 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.458 2.871 -16.278 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.061 5.209 -16.786 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.617 3.514 -16.556 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.603 5.525 -15.032 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.451 6.376 -13.852 1.00 0.33 C ATOM 1329 C HIS A 86 -3.022 5.729 -12.583 1.00 0.30 C ATOM 1330 O HIS A 86 -3.562 6.422 -11.722 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.097 7.751 -14.095 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.596 7.759 -14.049 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.390 7.460 -15.135 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.444 8.053 -13.038 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.659 7.573 -14.794 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.724 7.931 -13.524 1.00 0.71 N ATOM 0 H HIS A 86 -1.767 5.480 -15.615 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.381 6.507 -13.688 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.721 8.450 -13.348 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.775 8.121 -15.069 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -5.049 7.193 -16.059 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.167 8.333 -12.032 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.504 7.401 -15.444 1.00 0.78 H new ATOM 1345 N TYR A 87 -2.889 4.407 -12.461 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.380 3.698 -11.282 1.00 0.34 C ATOM 1347 C TYR A 87 -3.013 2.211 -11.331 1.00 0.24 C ATOM 1348 O TYR A 87 -2.667 1.677 -12.392 1.00 0.23 O ATOM 1349 CB TYR A 87 -4.899 3.892 -11.123 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.756 2.740 -11.615 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.020 1.647 -10.797 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.318 2.756 -12.887 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.809 0.599 -11.233 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -7.112 1.715 -13.325 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.355 0.639 -12.495 1.00 0.95 C ATOM 1356 OH TYR A 87 -8.145 -0.399 -12.929 1.00 1.27 O ATOM 0 H TYR A 87 -2.448 3.810 -13.161 1.00 0.26 H new ATOM 0 HA TYR A 87 -2.891 4.125 -10.407 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.118 4.062 -10.069 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.191 4.795 -11.659 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.601 1.616 -9.802 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.131 3.595 -13.541 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -6.996 -0.246 -10.587 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.542 1.742 -14.315 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.653 -0.931 -13.588 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.082 1.561 -10.172 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.765 0.138 -10.047 1.00 0.20 C ATOM 1368 C ASN A 88 -3.646 -0.519 -8.979 1.00 0.20 C ATOM 1369 O ASN A 88 -4.439 0.158 -8.323 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.286 -0.039 -9.687 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.026 0.022 -8.191 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.061 1.218 -7.625 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.823 -1.000 -7.548 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.358 2.003 -9.295 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.961 -0.346 -11.004 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.937 -0.997 -10.072 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.702 0.736 -10.183 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.803 -1.904 -8.020 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.674 -0.947 -6.540 1.00 0.24 H new ATOM 1380 N THR A 89 -3.496 -1.829 -8.811 1.00 0.23 N ATOM 1381 CA THR A 89 -4.265 -2.577 -7.823 1.00 0.26 C ATOM 1382 C THR A 89 -3.343 -3.421 -6.941 1.00 0.21 C ATOM 1383 O THR A 89 -2.464 -4.127 -7.444 1.00 0.25 O ATOM 1384 CB THR A 89 -5.320 -3.488 -8.495 1.00 0.34 C ATOM 1385 OG1 THR A 89 -4.853 -3.939 -9.779 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.638 -2.747 -8.664 1.00 0.72 C ATOM 0 H THR A 89 -2.844 -2.398 -9.351 1.00 0.23 H new ATOM 0 HA THR A 89 -4.785 -1.848 -7.202 1.00 0.26 H new ATOM 0 HB THR A 89 -5.479 -4.352 -7.850 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.619 -4.082 -10.374 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.367 -3.404 -9.138 1.00 0.72 H new ATOM 0 HG22 THR A 89 -7.010 -2.438 -7.687 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.483 -1.867 -9.288 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.543 -3.335 -5.627 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.733 -4.084 -4.673 1.00 0.21 C ATOM 1396 C TYR A 90 -3.563 -5.165 -3.987 1.00 0.23 C ATOM 1397 O TYR A 90 -4.664 -4.892 -3.501 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.157 -3.155 -3.601 1.00 0.27 C ATOM 1399 CG TYR A 90 -1.054 -2.245 -4.086 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.205 -2.749 -4.386 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.267 -0.882 -4.222 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.220 -1.917 -4.809 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.259 -0.044 -4.649 1.00 0.31 C ATOM 1404 CZ TYR A 90 0.983 -0.564 -4.939 1.00 0.31 C ATOM 1405 OH TYR A 90 1.993 0.273 -5.357 1.00 0.36 O ATOM 0 H TYR A 90 -4.262 -2.751 -5.199 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.919 -4.547 -5.231 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.964 -2.543 -3.197 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.775 -3.762 -2.780 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.392 -3.808 -4.287 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.238 -0.470 -3.990 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.195 -2.322 -5.037 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.442 1.015 -4.756 1.00 0.31 H new ATOM 0 HH TYR A 90 2.765 -0.261 -5.638 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.035 -6.384 -3.954 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.714 -7.503 -3.301 1.00 0.26 C ATOM 1417 C ILE A 91 -2.707 -8.363 -2.529 1.00 0.27 C ATOM 1418 O ILE A 91 -1.526 -8.409 -2.877 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.486 -8.384 -4.311 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.533 -8.989 -5.346 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.581 -7.575 -4.999 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.221 -9.891 -6.348 1.00 0.31 C ATOM 0 H ILE A 91 -2.137 -6.625 -4.372 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.439 -7.077 -2.607 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.954 -9.201 -3.762 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.031 -8.183 -5.880 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.761 -9.558 -4.828 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.114 -8.211 -5.706 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.280 -7.199 -4.252 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.133 -6.736 -5.532 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.485 -10.283 -7.050 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.700 -10.718 -5.824 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -4.974 -9.322 -6.893 1.00 0.31 H new ATOM 1434 N SER A 92 -3.173 -9.024 -1.478 1.00 0.33 N ATOM 1435 CA SER A 92 -2.317 -9.877 -0.661 1.00 0.37 C ATOM 1436 C SER A 92 -1.996 -11.187 -1.385 1.00 0.31 C ATOM 1437 O SER A 92 -2.882 -11.811 -1.972 1.00 0.44 O ATOM 1438 CB SER A 92 -3.007 -10.174 0.671 1.00 0.50 C ATOM 1439 OG SER A 92 -3.621 -9.006 1.198 1.00 0.82 O ATOM 0 H SER A 92 -4.144 -8.986 -1.169 1.00 0.33 H new ATOM 0 HA SER A 92 -1.380 -9.351 -0.478 1.00 0.37 H new ATOM 0 HB2 SER A 92 -3.758 -10.952 0.530 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.278 -10.559 1.384 1.00 0.50 H new ATOM 0 HG SER A 92 -3.050 -8.623 1.896 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.733 -11.603 -1.335 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.306 -12.837 -1.988 1.00 0.31 C ATOM 1447 C LYS A 93 -0.662 -14.051 -1.125 1.00 0.29 C ATOM 1448 O LYS A 93 -1.440 -14.913 -1.540 1.00 0.35 O ATOM 1449 CB LYS A 93 1.203 -12.794 -2.268 1.00 0.42 C ATOM 1450 CG LYS A 93 1.736 -13.992 -3.047 1.00 0.55 C ATOM 1451 CD LYS A 93 1.845 -15.235 -2.175 1.00 0.74 C ATOM 1452 CE LYS A 93 3.113 -16.022 -2.473 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.219 -16.410 -3.906 1.00 0.80 N ATOM 0 H LYS A 93 0.012 -11.104 -0.849 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.831 -12.929 -2.939 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.431 -11.885 -2.824 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.734 -12.729 -1.318 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.078 -14.198 -3.891 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.716 -13.750 -3.458 1.00 0.55 H new ATOM 0 HD2 LYS A 93 1.835 -14.945 -1.124 1.00 0.74 H new ATOM 0 HD3 LYS A 93 0.975 -15.871 -2.338 1.00 0.74 H new ATOM 0 HE2 LYS A 93 3.981 -15.424 -2.197 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.134 -16.919 -1.854 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 3.687 -17.335 -3.981 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.267 -16.469 -4.321 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.776 -15.697 -4.418 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.103 -14.101 0.083 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.352 -15.210 1.006 1.00 0.31 C ATOM 1469 C LYS A 94 -1.845 -15.415 1.257 1.00 0.31 C ATOM 1470 O LYS A 94 -2.304 -16.542 1.432 1.00 0.56 O ATOM 1471 CB LYS A 94 0.360 -14.963 2.341 1.00 0.36 C ATOM 1472 CG LYS A 94 -0.001 -15.972 3.423 1.00 0.55 C ATOM 1473 CD LYS A 94 0.791 -15.736 4.699 1.00 0.55 C ATOM 1474 CE LYS A 94 0.190 -16.487 5.877 1.00 0.63 C ATOM 1475 NZ LYS A 94 0.962 -16.270 7.127 1.00 0.69 N ATOM 0 H LYS A 94 0.527 -13.386 0.447 1.00 0.28 H new ATOM 0 HA LYS A 94 0.043 -16.113 0.540 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.437 -14.988 2.178 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.114 -13.961 2.694 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -1.067 -15.908 3.639 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.190 -16.981 3.058 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.823 -16.055 4.552 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.815 -14.669 4.921 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.840 -16.163 6.026 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.159 -17.553 5.650 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.329 -16.366 7.947 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 1.723 -16.976 7.192 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.375 -15.316 7.119 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.604 -14.325 1.268 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.038 -14.403 1.524 1.00 0.28 C ATOM 1491 C HIS A 95 -4.844 -14.337 0.228 1.00 0.27 C ATOM 1492 O HIS A 95 -5.963 -13.824 0.217 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.474 -13.281 2.475 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.819 -13.337 3.819 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.481 -13.709 4.971 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.550 -13.056 4.196 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.648 -13.650 5.993 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.474 -13.258 5.546 1.00 0.50 N ATOM 0 H HIS A 95 -2.253 -13.381 1.104 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.237 -15.366 1.994 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.251 -12.319 2.013 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.555 -13.329 2.606 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -1.747 -12.732 3.551 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.889 -13.883 7.020 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.639 -13.126 6.117 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.286 -14.877 -0.856 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.963 -14.876 -2.154 1.00 0.35 C ATOM 1509 C ALA A 96 -6.423 -15.319 -2.020 1.00 0.34 C ATOM 1510 O ALA A 96 -7.308 -14.784 -2.692 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.222 -15.768 -3.137 1.00 0.44 C ATOM 0 H ALA A 96 -3.368 -15.321 -0.861 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.959 -13.855 -2.535 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.737 -15.757 -4.098 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.204 -15.400 -3.267 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.193 -16.787 -2.752 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.669 -16.294 -1.143 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.023 -16.801 -0.913 1.00 0.38 C ATOM 1519 C GLU A 97 -8.983 -15.674 -0.506 1.00 0.37 C ATOM 1520 O GLU A 97 -10.194 -15.780 -0.710 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.019 -17.888 0.169 1.00 0.46 C ATOM 1522 CG GLU A 97 -6.995 -18.993 -0.062 1.00 0.57 C ATOM 1523 CD GLU A 97 -6.887 -19.407 -1.516 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -7.883 -19.916 -2.073 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -5.806 -19.226 -2.107 1.00 0.93 O ATOM 0 H GLU A 97 -5.949 -16.748 -0.581 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.372 -17.230 -1.852 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.824 -17.423 1.135 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.012 -18.334 0.225 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.019 -18.655 0.287 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.265 -19.862 0.538 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.439 -14.600 0.066 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.242 -13.461 0.499 1.00 0.38 C ATOM 1534 C LYS A 98 -8.715 -12.181 -0.149 1.00 0.37 C ATOM 1535 O LYS A 98 -8.178 -11.302 0.527 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.213 -13.335 2.029 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.674 -14.589 2.755 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.442 -14.483 4.255 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.424 -13.524 4.913 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.267 -13.497 6.392 1.00 0.89 N ATOM 0 H LYS A 98 -7.439 -14.497 0.240 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.275 -13.618 0.187 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.198 -13.095 2.346 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.846 -12.500 2.328 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.734 -14.754 2.561 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.139 -15.454 2.363 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -9.539 -15.470 4.708 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.423 -14.145 4.442 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.274 -12.521 4.514 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.443 -13.819 4.661 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -10.954 -12.832 6.802 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -10.435 -14.449 6.776 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -9.303 -13.191 6.633 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.854 -12.090 -1.467 1.00 0.40 N ATOM 1555 CA ASN A 99 -8.384 -10.921 -2.207 1.00 0.48 C ATOM 1556 C ASN A 99 -9.245 -9.694 -1.905 1.00 0.44 C ATOM 1557 O ASN A 99 -10.387 -9.588 -2.362 1.00 0.78 O ATOM 1558 CB ASN A 99 -8.357 -11.201 -3.719 1.00 0.64 C ATOM 1559 CG ASN A 99 -9.736 -11.442 -4.313 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -10.302 -12.527 -4.174 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -10.282 -10.438 -4.987 1.00 1.07 N ATOM 0 H ASN A 99 -9.287 -12.810 -2.046 1.00 0.40 H new ATOM 0 HA ASN A 99 -7.366 -10.710 -1.879 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -7.892 -10.357 -4.229 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -7.730 -12.073 -3.909 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -11.202 -10.550 -5.412 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -9.781 -9.554 -5.080 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.692 -8.775 -1.121 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.387 -7.548 -0.758 1.00 0.32 C ATOM 1570 C TRP A 100 -8.479 -6.345 -0.993 1.00 0.32 C ATOM 1571 O TRP A 100 -7.421 -6.224 -0.372 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.837 -7.601 0.706 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.806 -8.708 0.994 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.624 -9.759 1.848 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.105 -8.880 0.420 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.733 -10.567 1.843 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.657 -10.050 0.974 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.858 -8.155 -0.507 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -13.923 -10.512 0.630 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.115 -8.615 -0.848 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.637 -9.782 -0.280 1.00 1.08 C ATOM 0 H TRP A 100 -7.757 -8.859 -0.723 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.273 -7.447 -1.386 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.961 -7.721 1.343 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.296 -6.649 0.971 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.737 -9.929 2.440 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -11.850 -11.415 2.397 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.464 -7.251 -0.949 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.327 -11.414 1.065 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.705 -8.064 -1.566 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.624 -10.113 -0.566 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.895 -5.467 -1.900 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.118 -4.277 -2.239 1.00 0.29 C ATOM 1594 C PHE A 101 -7.899 -3.388 -1.017 1.00 0.29 C ATOM 1595 O PHE A 101 -8.812 -3.191 -0.207 1.00 0.38 O ATOM 1596 CB PHE A 101 -8.814 -3.480 -3.342 1.00 0.34 C ATOM 1597 CG PHE A 101 -8.976 -4.248 -4.624 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -7.917 -4.381 -5.505 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.185 -4.843 -4.940 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.061 -5.094 -6.680 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.337 -5.556 -6.114 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.273 -5.683 -6.986 1.00 0.64 C ATOM 0 H PHE A 101 -9.770 -5.557 -2.416 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.144 -4.611 -2.598 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.796 -3.167 -2.989 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.242 -2.573 -3.540 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -6.967 -3.922 -5.272 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.020 -4.749 -4.261 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.227 -5.191 -7.359 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.287 -6.013 -6.350 1.00 0.64 H new ATOM 0 HZ PHE A 101 -9.388 -6.241 -7.904 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.693 -2.845 -0.902 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.338 -1.981 0.220 1.00 0.35 C ATOM 1614 C VAL A 102 -6.991 -0.595 0.085 1.00 0.55 C ATOM 1615 O VAL A 102 -8.008 -0.445 -0.598 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.799 -1.840 0.343 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.153 -3.202 0.557 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.214 -1.152 -0.885 1.00 0.82 C ATOM 0 H VAL A 102 -5.940 -2.988 -1.575 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.718 -2.449 1.128 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.584 -1.217 1.211 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.073 -3.083 0.641 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.541 -3.649 1.472 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.382 -3.850 -0.289 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.133 -1.066 -0.773 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.441 -1.740 -1.774 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.649 -0.158 -0.987 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.432 0.405 0.764 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.972 1.748 0.693 1.00 0.46 C ATOM 1630 C GLY A 103 -7.010 2.414 2.052 1.00 0.41 C ATOM 1631 O GLY A 103 -7.577 1.862 3.001 1.00 0.59 O ATOM 0 H GLY A 103 -5.612 0.306 1.363 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.367 2.347 0.012 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.979 1.713 0.278 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.401 3.588 2.152 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.371 4.333 3.402 1.00 0.34 C ATOM 1637 C LEU A 104 -7.042 5.690 3.234 1.00 0.34 C ATOM 1638 O LEU A 104 -7.013 6.276 2.149 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.930 4.516 3.897 1.00 0.38 C ATOM 1640 CG LEU A 104 -3.948 5.101 2.875 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -2.890 5.942 3.573 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.288 3.989 2.069 1.00 0.66 C ATOM 0 H LEU A 104 -5.919 4.046 1.378 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.922 3.759 4.147 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.945 5.165 4.772 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.552 3.548 4.225 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.507 5.741 2.192 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.202 6.349 2.832 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -3.371 6.760 4.110 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.338 5.320 4.278 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.595 4.424 1.349 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.744 3.326 2.742 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -4.052 3.421 1.539 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.660 6.176 4.302 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.331 7.463 4.280 1.00 0.41 C ATOM 1656 C LYS A 105 -7.454 8.514 4.947 1.00 0.32 C ATOM 1657 O LYS A 105 -7.008 8.329 6.086 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.687 7.380 4.989 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.736 8.331 4.430 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.185 7.906 3.038 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.461 8.618 2.616 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.201 9.984 2.087 1.00 0.60 N ATOM 0 H LYS A 105 -7.709 5.692 5.199 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.505 7.747 3.242 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -10.062 6.359 4.917 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.545 7.593 6.048 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.596 8.360 5.099 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.329 9.341 4.390 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.394 8.120 2.319 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.347 6.828 3.021 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.968 8.027 1.854 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.136 8.684 3.469 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -13.086 10.388 1.720 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.835 10.588 2.850 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.500 9.932 1.321 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.217 9.615 4.239 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.389 10.709 4.751 1.00 0.46 C ATOM 1678 C LYS A 106 -6.754 11.061 6.196 1.00 0.51 C ATOM 1679 O LYS A 106 -5.926 11.590 6.933 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.509 11.943 3.851 1.00 0.60 C ATOM 1681 CG LYS A 106 -7.939 12.340 3.531 1.00 0.67 C ATOM 1682 CD LYS A 106 -7.997 13.236 2.306 1.00 0.90 C ATOM 1683 CE LYS A 106 -9.401 13.764 2.068 1.00 1.14 C ATOM 1684 NZ LYS A 106 -9.532 14.393 0.729 1.00 1.43 N ATOM 0 H LYS A 106 -7.588 9.776 3.303 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.353 10.370 4.743 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.010 12.782 4.335 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -5.979 11.752 2.918 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -8.538 11.446 3.360 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.376 12.858 4.385 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -7.309 14.072 2.433 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -7.663 12.679 1.430 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.117 12.947 2.158 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -9.651 14.493 2.839 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -10.327 15.064 0.737 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -8.654 14.900 0.496 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -9.707 13.657 0.015 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.995 10.775 6.591 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.450 11.030 7.957 1.00 0.70 C ATOM 1700 C ASN A 107 -7.505 10.393 8.982 1.00 0.65 C ATOM 1701 O ASN A 107 -7.423 10.846 10.124 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.876 10.499 8.149 1.00 0.83 C ATOM 1703 CG ASN A 107 -10.249 10.305 9.610 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -10.137 9.205 10.147 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.698 11.370 10.260 1.00 1.38 N ATOM 0 H ASN A 107 -8.704 10.366 5.982 1.00 0.53 H new ATOM 0 HA ASN A 107 -8.448 12.108 8.119 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.580 11.192 7.689 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.977 9.548 7.625 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.965 11.293 11.241 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.776 12.266 9.779 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.797 9.340 8.570 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.867 8.671 9.462 1.00 0.55 C ATOM 1714 C GLY A 108 -6.206 7.208 9.703 1.00 0.52 C ATOM 1715 O GLY A 108 -5.613 6.570 10.571 1.00 1.00 O ATOM 0 H GLY A 108 -6.853 8.940 7.633 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.862 8.739 9.045 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.852 9.195 10.418 1.00 0.55 H new ATOM 1719 N SER A 109 -7.153 6.671 8.939 1.00 0.52 N ATOM 1720 CA SER A 109 -7.557 5.278 9.082 1.00 0.56 C ATOM 1721 C SER A 109 -7.627 4.598 7.714 1.00 0.51 C ATOM 1722 O SER A 109 -7.958 5.238 6.710 1.00 0.81 O ATOM 1723 CB SER A 109 -8.913 5.194 9.794 1.00 0.75 C ATOM 1724 OG SER A 109 -8.881 5.870 11.044 1.00 0.97 O ATOM 0 H SER A 109 -7.655 7.182 8.213 1.00 0.52 H new ATOM 0 HA SER A 109 -6.813 4.758 9.685 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.686 5.630 9.162 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.181 4.149 9.950 1.00 0.75 H new ATOM 0 HG SER A 109 -9.758 5.802 11.475 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.292 3.313 7.669 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.321 2.556 6.422 1.00 0.38 C ATOM 1732 C CYS A 110 -8.601 1.726 6.329 1.00 0.36 C ATOM 1733 O CYS A 110 -9.281 1.511 7.335 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.093 1.647 6.324 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.535 2.456 6.770 1.00 0.61 S ATOM 0 H CYS A 110 -6.997 2.773 8.482 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.303 3.260 5.590 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.241 0.784 6.973 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.015 1.269 5.305 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.557 1.607 6.658 1.00 0.61 H new ATOM 1741 N LYS A 111 -8.936 1.270 5.122 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.139 0.470 4.920 1.00 0.44 C ATOM 1743 C LYS A 111 -9.899 -0.664 3.932 1.00 0.47 C ATOM 1744 O LYS A 111 -9.978 -0.473 2.712 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.306 1.342 4.438 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.789 2.335 5.481 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.209 1.635 6.765 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.283 2.601 7.931 1.00 0.94 C ATOM 1749 NZ LYS A 111 -12.333 1.896 9.239 1.00 1.27 N ATOM 0 H LYS A 111 -8.393 1.441 4.275 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.399 0.034 5.885 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -10.999 1.886 3.545 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.136 0.697 4.149 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.996 3.051 5.698 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.630 2.902 5.083 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.181 1.163 6.621 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.500 0.840 6.995 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.417 3.262 7.909 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.167 3.230 7.825 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -12.383 2.594 10.008 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -13.173 1.284 9.272 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -11.478 1.316 9.353 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.590 -1.840 4.473 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.357 -3.034 3.668 1.00 0.36 C ATOM 1765 C ARG A 112 -10.357 -4.123 4.055 1.00 0.37 C ATOM 1766 O ARG A 112 -11.045 -4.677 3.201 1.00 0.47 O ATOM 1767 CB ARG A 112 -7.919 -3.541 3.863 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.432 -4.485 2.768 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.077 -5.862 2.854 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.518 -6.684 3.932 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.166 -7.705 4.512 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -9.423 -7.990 4.168 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -7.556 -8.441 5.445 1.00 1.57 N ATOM 0 H ARG A 112 -9.495 -1.991 5.477 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.494 -2.781 2.617 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.248 -2.684 3.912 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.854 -4.053 4.823 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.647 -4.047 1.793 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.349 -4.590 2.838 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.150 -5.747 3.010 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.947 -6.379 1.904 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.578 -6.466 4.261 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -9.897 -7.430 3.460 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -9.910 -8.768 4.613 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -6.597 -8.227 5.717 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.050 -9.217 5.886 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.433 -4.411 5.354 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.341 -5.435 5.848 1.00 0.43 C ATOM 1789 C GLY A 113 -12.803 -5.004 5.892 1.00 0.41 C ATOM 1790 O GLY A 113 -13.669 -5.746 5.424 1.00 0.46 O ATOM 0 H GLY A 113 -9.879 -3.951 6.076 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.253 -6.319 5.216 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.030 -5.728 6.851 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.113 -3.807 6.443 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.489 -3.305 6.557 1.00 0.50 C ATOM 1796 C PRO A 114 -15.372 -3.663 5.361 1.00 0.41 C ATOM 1797 O PRO A 114 -16.350 -4.401 5.503 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.280 -1.793 6.650 1.00 0.62 C ATOM 1799 CG PRO A 114 -12.999 -1.654 7.396 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.146 -2.839 7.006 1.00 0.52 C ATOM 0 HA PRO A 114 -15.015 -3.743 7.405 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.219 -1.337 5.662 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.103 -1.307 7.175 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.502 -0.718 7.143 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.176 -1.640 8.471 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.388 -2.561 6.274 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.621 -3.254 7.867 1.00 0.52 H new ATOM 1808 N ARG A 115 -15.016 -3.157 4.186 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.783 -3.409 2.969 1.00 0.39 C ATOM 1810 C ARG A 115 -15.127 -2.696 1.790 1.00 0.44 C ATOM 1811 O ARG A 115 -15.516 -1.584 1.422 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.227 -2.925 3.149 1.00 0.51 C ATOM 1813 CG ARG A 115 -18.103 -3.078 1.914 1.00 0.57 C ATOM 1814 CD ARG A 115 -19.250 -2.079 1.935 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.761 -0.700 2.065 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.408 0.280 2.711 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.590 0.053 3.276 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.855 1.490 2.799 1.00 1.47 N ATOM 0 H ARG A 115 -14.196 -2.566 4.049 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.798 -4.480 2.769 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.682 -3.477 3.972 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -17.211 -1.875 3.440 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.502 -2.929 1.017 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.500 -4.092 1.868 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.834 -2.174 1.019 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.919 -2.309 2.765 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.866 -0.472 1.633 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -21.012 -0.874 3.220 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.074 0.806 3.765 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.944 1.666 2.376 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.343 2.239 3.289 1.00 1.47 H new ATOM 1832 N THR A 116 -14.114 -3.330 1.218 1.00 0.36 N ATOM 1833 CA THR A 116 -13.385 -2.759 0.098 1.00 0.38 C ATOM 1834 C THR A 116 -14.020 -3.170 -1.234 1.00 0.39 C ATOM 1835 O THR A 116 -14.178 -4.357 -1.520 1.00 0.51 O ATOM 1836 CB THR A 116 -11.889 -3.163 0.148 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.074 -2.135 -0.439 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.633 -4.488 -0.563 1.00 0.58 C ATOM 0 H THR A 116 -13.777 -4.246 1.514 1.00 0.36 H new ATOM 0 HA THR A 116 -13.442 -1.673 0.176 1.00 0.38 H new ATOM 0 HB THR A 116 -11.623 -3.287 1.198 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.232 -2.525 -0.754 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.573 -4.734 -0.504 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.215 -5.276 -0.085 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.928 -4.403 -1.609 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.394 -2.174 -2.033 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.018 -2.402 -3.338 1.00 0.39 C ATOM 1848 C HIS A 117 -15.509 -1.078 -3.910 1.00 0.36 C ATOM 1849 O HIS A 117 -14.971 -0.582 -4.900 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.192 -3.387 -3.232 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.935 -4.710 -3.889 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -15.407 -5.794 -3.218 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -16.146 -5.125 -5.160 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -15.304 -6.816 -4.047 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.744 -6.436 -5.231 1.00 0.89 N ATOM 0 H HIS A 117 -14.275 -1.189 -1.797 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.270 -2.837 -4.001 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.420 -3.553 -2.179 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.075 -2.934 -3.682 1.00 0.43 H new ATOM 0 HD1 HIS A 117 -15.138 -5.804 -2.234 1.00 0.85 H new ATOM 0 HD2 HIS A 117 -16.554 -4.535 -5.967 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -14.924 -7.796 -3.798 1.00 0.95 H new ATOM 1864 N TYR A 118 -16.522 -0.505 -3.269 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.077 0.771 -3.699 1.00 0.41 C ATOM 1866 C TYR A 118 -16.121 1.897 -3.330 1.00 0.39 C ATOM 1867 O TYR A 118 -15.421 1.814 -2.318 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.446 1.006 -3.056 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.540 0.136 -3.634 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.689 -1.186 -3.229 1.00 0.75 C ATOM 1871 CD2 TYR A 118 -20.416 0.634 -4.588 1.00 0.79 C ATOM 1872 CE1 TYR A 118 -20.680 -1.984 -3.760 1.00 0.87 C ATOM 1873 CE2 TYR A 118 -21.410 -0.161 -5.124 1.00 0.92 C ATOM 1874 CZ TYR A 118 -21.539 -1.468 -4.706 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.529 -2.262 -5.242 1.00 1.05 O ATOM 0 H TYR A 118 -16.976 -0.906 -2.448 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.206 0.752 -4.781 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.372 0.820 -1.985 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.722 2.053 -3.179 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.018 -1.594 -2.487 1.00 0.75 H new ATOM 0 HD2 TYR A 118 -20.319 1.658 -4.916 1.00 0.79 H new ATOM 0 HE1 TYR A 118 -20.783 -3.009 -3.436 1.00 0.87 H new ATOM 0 HE2 TYR A 118 -22.083 0.240 -5.867 1.00 0.92 H new ATOM 0 HH TYR A 118 -23.047 -1.744 -5.893 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.099 2.941 -4.143 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.213 4.056 -3.893 1.00 0.39 C ATOM 1887 C GLY A 119 -13.875 3.863 -4.582 1.00 0.37 C ATOM 1888 O GLY A 119 -13.151 2.909 -4.281 1.00 0.44 O ATOM 0 H GLY A 119 -16.682 3.036 -4.975 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.676 4.977 -4.246 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.059 4.167 -2.820 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.542 4.769 -5.502 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.284 4.696 -6.254 1.00 0.38 C ATOM 1894 C GLN A 120 -11.111 4.268 -5.367 1.00 0.37 C ATOM 1895 O GLN A 120 -10.221 3.550 -5.818 1.00 0.34 O ATOM 1896 CB GLN A 120 -11.979 6.040 -6.925 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.954 6.401 -8.039 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.449 7.524 -8.923 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.789 7.284 -9.935 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -12.753 8.757 -8.552 1.00 1.00 N ATOM 0 H GLN A 120 -14.128 5.567 -5.747 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.411 3.934 -7.023 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -11.996 6.826 -6.170 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -10.969 6.012 -7.333 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.141 5.519 -8.652 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.908 6.692 -7.600 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.302 8.915 -7.707 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.439 9.550 -9.111 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.124 4.693 -4.104 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.059 4.343 -3.161 1.00 0.61 C ATOM 1911 C LYS A 121 -9.740 2.845 -3.206 1.00 0.58 C ATOM 1912 O LYS A 121 -8.598 2.442 -2.991 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.455 4.745 -1.728 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.318 3.715 -1.000 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.470 2.636 -0.332 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.255 1.346 -0.139 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.378 0.192 0.205 1.00 1.70 N ATOM 0 H LYS A 121 -11.859 5.280 -3.709 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.166 4.893 -3.457 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.548 4.917 -1.148 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -10.994 5.692 -1.765 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -11.926 4.217 -0.248 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.005 3.251 -1.708 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.587 2.438 -0.940 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.117 2.996 0.634 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.991 1.487 0.652 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.807 1.120 -1.051 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.863 -0.696 -0.034 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.491 0.258 -0.334 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.167 0.208 1.223 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.753 2.026 -3.481 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.579 0.579 -3.526 1.00 0.65 C ATOM 1933 C ALA A 122 -9.827 0.124 -4.776 1.00 0.57 C ATOM 1934 O ALA A 122 -9.194 -0.930 -4.766 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.932 -0.114 -3.446 1.00 0.77 C ATOM 0 H ALA A 122 -11.703 2.342 -3.676 1.00 0.54 H new ATOM 0 HA ALA A 122 -9.974 0.298 -2.664 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.790 -1.194 -3.480 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.425 0.158 -2.513 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.551 0.198 -4.287 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.894 0.910 -5.849 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.221 0.549 -7.094 1.00 0.48 C ATOM 1943 C ILE A 123 -8.637 1.785 -7.787 1.00 0.41 C ATOM 1944 O ILE A 123 -8.863 2.010 -8.981 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.181 -0.175 -8.072 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.054 -1.200 -7.343 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.393 -0.860 -9.175 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.333 -0.618 -6.781 1.00 0.79 C ATOM 0 H ILE A 123 -10.403 1.793 -5.882 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.411 -0.130 -6.827 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.836 0.578 -8.511 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.304 -2.007 -8.032 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.478 -1.642 -6.530 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.081 -1.364 -9.854 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.818 -0.117 -9.727 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.714 -1.592 -8.737 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.900 -1.402 -6.279 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.091 0.169 -6.067 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.930 -0.201 -7.592 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.880 2.582 -7.042 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.274 3.787 -7.603 1.00 0.29 C ATOM 1962 C LEU A 124 -6.027 4.199 -6.816 1.00 0.26 C ATOM 1963 O LEU A 124 -6.008 5.237 -6.149 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.295 4.931 -7.636 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.947 6.090 -8.575 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.701 5.582 -9.989 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.060 7.127 -8.566 1.00 0.58 C ATOM 0 H LEU A 124 -7.672 2.419 -6.057 1.00 0.31 H new ATOM 0 HA LEU A 124 -6.964 3.565 -8.624 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.263 4.524 -7.930 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.408 5.325 -6.626 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.030 6.560 -8.219 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.455 6.421 -10.640 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.873 4.874 -9.982 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.599 5.087 -10.359 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.800 7.945 -9.237 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.990 6.666 -8.899 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.189 7.514 -7.555 1.00 0.58 H new ATOM 1979 N PHE A 125 -4.993 3.366 -6.891 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.736 3.633 -6.200 1.00 0.23 C ATOM 1981 C PHE A 125 -2.685 4.109 -7.201 1.00 0.17 C ATOM 1982 O PHE A 125 -2.451 3.444 -8.217 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.238 2.370 -5.480 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.299 1.660 -4.684 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.711 2.149 -3.455 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.882 0.499 -5.169 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.684 1.494 -2.725 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.855 -0.159 -4.444 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.257 0.339 -3.221 1.00 0.54 C ATOM 0 H PHE A 125 -5.002 2.497 -7.426 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.905 4.413 -5.457 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.830 1.680 -6.219 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.420 2.643 -4.813 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.267 3.052 -3.063 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.571 0.105 -6.125 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -5.996 1.884 -1.768 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.301 -1.062 -4.833 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.019 -0.174 -2.652 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.060 5.250 -6.923 1.00 0.18 N ATOM 2000 CA LEU A 126 -1.047 5.807 -7.812 1.00 0.19 C ATOM 2001 C LEU A 126 0.326 5.799 -7.139 1.00 0.20 C ATOM 2002 O LEU A 126 0.623 6.648 -6.297 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.429 7.233 -8.234 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.465 7.907 -9.220 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.365 7.100 -10.504 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.917 9.336 -9.513 1.00 0.59 C ATOM 0 H LEU A 126 -2.238 5.807 -6.087 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.995 5.183 -8.704 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.422 7.207 -8.683 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.499 7.852 -7.340 1.00 0.32 H new ATOM 0 HG LEU A 126 0.525 7.947 -8.765 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.323 7.593 -11.191 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.004 6.100 -10.277 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.350 7.028 -10.966 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.223 9.801 -10.214 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.916 9.320 -9.949 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.935 9.909 -8.586 1.00 0.59 H new ATOM 2018 N PRO A 127 1.167 4.814 -7.483 1.00 0.21 N ATOM 2019 CA PRO A 127 2.504 4.677 -6.935 1.00 0.29 C ATOM 2020 C PRO A 127 3.560 5.285 -7.862 1.00 0.25 C ATOM 2021 O PRO A 127 3.243 6.119 -8.712 1.00 0.38 O ATOM 2022 CB PRO A 127 2.645 3.155 -6.865 1.00 0.42 C ATOM 2023 CG PRO A 127 1.848 2.638 -8.028 1.00 0.43 C ATOM 2024 CD PRO A 127 0.888 3.736 -8.438 1.00 0.32 C ATOM 0 HA PRO A 127 2.646 5.188 -5.983 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.689 2.852 -6.936 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.264 2.766 -5.921 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.505 2.372 -8.856 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.304 1.735 -7.750 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.061 4.056 -9.465 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.149 3.405 -8.377 1.00 0.32 H new ATOM 2032 N LEU A 128 4.809 4.871 -7.689 1.00 0.22 N ATOM 2033 CA LEU A 128 5.900 5.355 -8.524 1.00 0.21 C ATOM 2034 C LEU A 128 6.358 4.240 -9.464 1.00 0.23 C ATOM 2035 O LEU A 128 6.308 3.067 -9.097 1.00 0.26 O ATOM 2036 CB LEU A 128 7.064 5.832 -7.648 1.00 0.23 C ATOM 2037 CG LEU A 128 7.850 7.029 -8.190 1.00 0.30 C ATOM 2038 CD1 LEU A 128 6.910 8.172 -8.547 1.00 0.38 C ATOM 2039 CD2 LEU A 128 8.882 7.489 -7.173 1.00 0.37 C ATOM 0 H LEU A 128 5.092 4.199 -6.976 1.00 0.22 H new ATOM 0 HA LEU A 128 5.552 6.199 -9.120 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.673 6.092 -6.664 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.754 5.000 -7.507 1.00 0.23 H new ATOM 0 HG LEU A 128 8.369 6.717 -9.096 1.00 0.30 H new ATOM 0 HD11 LEU A 128 7.488 9.013 -8.930 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.205 7.839 -9.309 1.00 0.38 H new ATOM 0 HD13 LEU A 128 6.362 8.484 -7.658 1.00 0.38 H new ATOM 0 HD21 LEU A 128 9.433 8.340 -7.573 1.00 0.37 H new ATOM 0 HD22 LEU A 128 8.379 7.782 -6.252 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.575 6.674 -6.964 1.00 0.37 H new ATOM 2051 N PRO A 129 6.797 4.590 -10.688 1.00 0.27 N ATOM 2052 CA PRO A 129 7.251 3.612 -11.692 1.00 0.33 C ATOM 2053 C PRO A 129 8.216 2.561 -11.136 1.00 0.33 C ATOM 2054 O PRO A 129 8.283 1.443 -11.653 1.00 0.67 O ATOM 2055 CB PRO A 129 7.961 4.485 -12.726 1.00 0.45 C ATOM 2056 CG PRO A 129 7.271 5.802 -12.640 1.00 0.47 C ATOM 2057 CD PRO A 129 6.874 5.974 -11.200 1.00 0.30 C ATOM 0 HA PRO A 129 6.416 3.030 -12.082 1.00 0.33 H new ATOM 0 HB2 PRO A 129 9.024 4.579 -12.503 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.881 4.060 -13.726 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.930 6.609 -12.961 1.00 0.47 H new ATOM 0 HG3 PRO A 129 6.397 5.827 -13.291 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.608 6.564 -10.650 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.918 6.489 -11.107 1.00 0.30 H new ATOM 2065 N VAL A 130 8.965 2.923 -10.097 1.00 0.37 N ATOM 2066 CA VAL A 130 9.923 2.006 -9.482 1.00 0.35 C ATOM 2067 C VAL A 130 9.240 0.719 -8.998 1.00 0.38 C ATOM 2068 O VAL A 130 8.558 0.708 -7.971 1.00 0.57 O ATOM 2069 CB VAL A 130 10.686 2.667 -8.305 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.583 3.790 -8.808 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.725 3.189 -7.246 1.00 0.44 C ATOM 0 H VAL A 130 8.927 3.845 -9.663 1.00 0.37 H new ATOM 0 HA VAL A 130 10.645 1.750 -10.258 1.00 0.35 H new ATOM 0 HB VAL A 130 11.311 1.902 -7.844 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.109 4.240 -7.966 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.308 3.387 -9.516 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.975 4.547 -9.303 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.291 3.646 -6.435 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.063 3.932 -7.690 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.132 2.363 -6.854 1.00 0.44 H new ATOM 2081 N SER A 131 9.423 -0.355 -9.761 1.00 0.34 N ATOM 2082 CA SER A 131 8.852 -1.659 -9.434 1.00 0.40 C ATOM 2083 C SER A 131 9.641 -2.770 -10.127 1.00 0.39 C ATOM 2084 O SER A 131 10.349 -2.515 -11.106 1.00 0.47 O ATOM 2085 CB SER A 131 7.379 -1.720 -9.859 1.00 0.50 C ATOM 2086 OG SER A 131 6.546 -1.045 -8.934 1.00 0.88 O ATOM 0 H SER A 131 9.970 -0.347 -10.622 1.00 0.34 H new ATOM 0 HA SER A 131 8.912 -1.802 -8.355 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.265 -1.273 -10.847 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.065 -2.761 -9.941 1.00 0.50 H new ATOM 0 HG SER A 131 5.952 -1.690 -8.498 1.00 0.88 H new ATOM 2092 N SER A 132 9.531 -3.996 -9.622 1.00 0.48 N ATOM 2093 CA SER A 132 10.229 -5.131 -10.215 1.00 0.54 C ATOM 2094 C SER A 132 9.427 -5.661 -11.403 1.00 0.49 C ATOM 2095 O SER A 132 8.881 -6.765 -11.363 1.00 0.96 O ATOM 2096 CB SER A 132 10.456 -6.228 -9.163 1.00 0.76 C ATOM 2097 OG SER A 132 11.212 -5.735 -8.061 1.00 1.03 O ATOM 0 H SER A 132 8.966 -4.228 -8.805 1.00 0.48 H new ATOM 0 HA SER A 132 11.207 -4.808 -10.573 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.495 -6.602 -8.810 1.00 0.76 H new ATOM 0 HB3 SER A 132 10.978 -7.070 -9.618 1.00 0.76 H new ATOM 0 HG SER A 132 11.273 -4.759 -8.117 1.00 1.03 H new ATOM 2103 N ASP A 133 9.349 -4.842 -12.451 1.00 0.56 N ATOM 2104 CA ASP A 133 8.611 -5.191 -13.664 1.00 0.58 C ATOM 2105 C ASP A 133 8.997 -6.578 -14.168 1.00 0.63 C ATOM 2106 O ASP A 133 10.208 -6.871 -14.245 1.00 0.80 O ATOM 2107 CB ASP A 133 8.861 -4.145 -14.753 1.00 0.80 C ATOM 2108 CG ASP A 133 8.312 -4.564 -16.101 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.081 -4.487 -16.295 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.111 -4.956 -16.978 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.087 -7.371 -14.479 1.00 0.75 O ATOM 0 H ASP A 133 9.792 -3.924 -12.484 1.00 0.56 H new ATOM 0 HA ASP A 133 7.549 -5.206 -13.419 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.404 -3.201 -14.456 1.00 0.80 H new ATOM 0 HB3 ASP A 133 9.933 -3.967 -14.841 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.458 4.062 3.853 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.416 3.661 2.368 1.00 3.47 C HETATM 2119 C3 IHP A 134 -17.050 4.780 1.503 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.241 6.069 1.693 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.252 6.488 3.173 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.668 5.371 4.046 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.866 3.036 4.665 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.711 2.327 5.854 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.992 1.727 5.405 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.962 3.468 6.956 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.745 1.238 6.534 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.094 3.421 1.936 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.680 1.961 1.392 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.691 1.348 2.311 1.00 4.60 O HETATM 2131 O32 IHP A 134 -16.033 1.104 1.329 1.00 4.76 O HETATM 2132 O42 IHP A 134 -14.097 2.175 -0.077 1.00 4.45 O HETATM 2133 O13 IHP A 134 -17.009 4.411 0.128 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.355 4.313 -0.756 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.241 5.451 -0.422 1.00 5.53 O HETATM 2136 O33 IHP A 134 -19.023 2.896 -0.380 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.940 4.329 -2.309 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.817 7.121 0.920 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.960 7.865 -0.221 1.00 5.38 P HETATM 2140 O24 IHP A 134 -15.898 7.016 -1.435 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.514 8.083 0.439 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.632 9.293 -0.511 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.475 7.667 3.349 1.00 4.36 O HETATM 2144 P5 IHP A 134 -16.120 9.009 3.949 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.256 9.434 3.105 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.602 8.661 5.448 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.968 10.120 4.002 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.692 5.784 5.417 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.335 5.938 6.268 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.596 6.373 7.668 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.495 7.039 5.449 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.556 4.540 6.221 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.637 5.181 3.748 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.283 6.678 3.470 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.217 5.884 1.369 1.00 3.79 H new HETATM 0 H3 IHP A 134 -18.086 4.931 1.807 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.984 2.738 2.253 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.497 4.199 4.152 1.00 3.43 H new