USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1051 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 THR OG1 : rot -166:sc= 2.37 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -159:sc= 2.7 (180deg=0.242) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.458 K(o=1.5,f=-14!) USER MOD Set 2.2: A 105 LYS NZ :NH3+ 132:sc= 1.04 (180deg=0) USER MOD Set 3.1: A 85 ASN : amide:sc= -0.492 K(o=-1.2,f=-1.7) USER MOD Set 3.2: A 86 HIS :FLIP no HE2:sc= -0.668 F(o=-2.6,f=-1.2) USER MOD Set 4.1: A 57 TYR OH : rot 32:sc= 1.34 USER MOD Set 4.2: A 76 CYS SG : rot -52:sc= -4.31! USER MOD Set 5.1: A 60 MET CE :methyl -161:sc= -0.855 (180deg=-1.13) USER MOD Set 5.2: A 92 SER OG : rot -134:sc= 0.485 USER MOD Set 6.1: A 48 TYR OH : rot 30:sc= -0.444 USER MOD Set 6.2: A 50 LYS NZ :NH3+ -163:sc= 0.18 (180deg=-0.0261) USER MOD Set 7.1: A 36 GLN : amide:sc= 0.46 X(o=0.32,f=0.25) USER MOD Set 7.2: A 38 GLN : amide:sc= -0.139 K(o=0.32,f=-3!) USER MOD Set 8.1: A 34 HIS : no HD1:sc= -0.542 K(o=-0.54,f=-1.4) USER MOD Set 8.2: A 52 THR OG1 : rot -90:sc= 0 USER MOD Set 9.1: A 8 TYR OH : rot 23:sc= 1.23 USER MOD Set 9.2: A 14 HIS :FLIP no HD1:sc= -0.0032 F(o=0.0079,f=1.2) USER MOD Set10.1: A 5 LYS NZ :NH3+ 168:sc= 0.602 (180deg=-1.06!) USER MOD Set10.2: A 131 SER OG : rot 68:sc= 1.73 USER MOD Single : A 1 TYR N :NH3+ -136:sc= 0.38 (180deg=0.0027) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0185) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -127:sc= -3.46! USER MOD Single : A 10 SER OG : rot 84:sc= 0.278 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 27 THR OG1 : rot 14:sc= -0.461 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.88! C(o=-1.9!,f=-16!) USER MOD Single : A 40 SER OG : rot 26:sc= 0.699 USER MOD Single : A 43 SER OG : rot -131:sc= 1.24 USER MOD Single : A 51 SER OG : rot -140:sc= -0.0366 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.53 K(o=0.53,f=-4.3!) 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 -63:sc= 0.259 USER MOD Single : A 70 GLN : amide:sc= -0.515 K(o=-0.51,f=-3.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.224 K(o=0.22,f=-5.7!) USER MOD Single : A 87 TYR OH : rot -167:sc= 1.22 USER MOD Single : A 88 ASN :FLIP amide:sc= 0.521 F(o=-3!,f=0.52) USER MOD Single : A 89 THR OG1 : rot -160:sc= -0.0598 USER MOD Single : A 90 TYR OH : rot 12:sc= 1.18 USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= 0.949 (180deg=0.577) USER MOD Single : A 94 LYS NZ :NH3+ 156:sc= 2.23 (180deg=1.96) USER MOD Single : A 95 HIS : no HD1:sc= 0.877 K(o=0.88,f=-7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.249 K(o=0.25,f=-0.93) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.1!) USER MOD Single : A 109 SER OG : rot -15:sc= 0.594 USER MOD Single : A 110 CYS SG : rot 80:sc= -0.408 USER MOD Single : A 111 LYS NZ :NH3+ 176:sc= 1.04 (180deg=0.838) USER MOD Single : A 117 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-2.5!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.8) USER MOD Single : A 132 SER OG : rot 180:sc= -0.977 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.089 -1.392 -9.597 1.00 0.54 N ATOM 2 CA TYR A 1 14.799 -1.890 -9.058 1.00 0.51 C ATOM 3 C TYR A 1 14.398 -1.164 -7.766 1.00 0.43 C ATOM 4 O TYR A 1 13.246 -0.758 -7.618 1.00 0.59 O ATOM 5 CB TYR A 1 14.856 -3.409 -8.824 1.00 0.57 C ATOM 6 CG TYR A 1 15.929 -3.869 -7.858 1.00 0.55 C ATOM 7 CD1 TYR A 1 15.678 -3.931 -6.493 1.00 0.53 C ATOM 8 CD2 TYR A 1 17.184 -4.250 -8.311 1.00 0.77 C ATOM 9 CE1 TYR A 1 16.646 -4.359 -5.606 1.00 0.65 C ATOM 10 CE2 TYR A 1 18.161 -4.679 -7.431 1.00 0.93 C ATOM 11 CZ TYR A 1 17.886 -4.732 -6.078 1.00 0.85 C ATOM 12 OH TYR A 1 18.855 -5.160 -5.196 1.00 1.08 O ATOM 0 H1 TYR A 1 16.009 -1.263 -10.626 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.323 -0.482 -9.151 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.840 -2.082 -9.392 1.00 0.54 H new ATOM 0 HA TYR A 1 14.034 -1.678 -9.805 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.887 -3.741 -8.451 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.015 -3.903 -9.782 1.00 0.57 H new ATOM 0 HD1 TYR A 1 14.708 -3.639 -6.119 1.00 0.53 H new ATOM 0 HD2 TYR A 1 17.401 -4.211 -9.368 1.00 0.77 H new ATOM 0 HE1 TYR A 1 16.433 -4.401 -4.548 1.00 0.65 H new ATOM 0 HE2 TYR A 1 19.133 -4.971 -7.799 1.00 0.93 H new ATOM 0 HH TYR A 1 19.670 -5.386 -5.690 1.00 1.08 H new ATOM 24 N LYS A 2 15.339 -0.986 -6.834 1.00 0.35 N ATOM 25 CA LYS A 2 15.029 -0.321 -5.571 1.00 0.39 C ATOM 26 C LYS A 2 15.299 1.185 -5.642 1.00 0.34 C ATOM 27 O LYS A 2 16.435 1.622 -5.834 1.00 0.48 O ATOM 28 CB LYS A 2 15.803 -0.964 -4.407 1.00 0.54 C ATOM 29 CG LYS A 2 17.222 -0.442 -4.203 1.00 0.73 C ATOM 30 CD LYS A 2 18.124 -0.757 -5.386 1.00 1.05 C ATOM 31 CE LYS A 2 19.563 -0.345 -5.121 1.00 1.15 C ATOM 32 NZ LYS A 2 20.241 -1.260 -4.162 1.00 1.40 N ATOM 0 H LYS A 2 16.308 -1.289 -6.930 1.00 0.35 H new ATOM 0 HA LYS A 2 13.963 -0.453 -5.386 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.240 -0.808 -3.487 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.849 -2.040 -4.573 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.192 0.636 -4.048 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.643 -0.882 -3.299 1.00 0.73 H new ATOM 0 HD2 LYS A 2 18.085 -1.825 -5.599 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.755 -0.241 -6.272 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.115 -0.332 -6.061 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.582 0.671 -4.727 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 21.246 -1.003 -4.088 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.793 -1.177 -3.227 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 20.158 -2.240 -4.500 1.00 1.40 H new ATOM 46 N LYS A 3 14.234 1.965 -5.497 1.00 0.28 N ATOM 47 CA LYS A 3 14.314 3.421 -5.523 1.00 0.26 C ATOM 48 C LYS A 3 13.222 4.011 -4.635 1.00 0.26 C ATOM 49 O LYS A 3 12.252 3.325 -4.315 1.00 0.29 O ATOM 50 CB LYS A 3 14.171 3.945 -6.956 1.00 0.30 C ATOM 51 CG LYS A 3 15.480 3.991 -7.727 1.00 0.49 C ATOM 52 CD LYS A 3 15.270 4.479 -9.155 1.00 0.55 C ATOM 53 CE LYS A 3 16.585 4.592 -9.908 1.00 0.78 C ATOM 54 NZ LYS A 3 16.379 4.920 -11.344 1.00 1.18 N ATOM 0 H LYS A 3 13.290 1.606 -5.358 1.00 0.28 H new ATOM 0 HA LYS A 3 15.290 3.726 -5.144 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.465 3.313 -7.495 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.743 4.947 -6.925 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.182 4.650 -7.216 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.929 2.998 -7.743 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.607 3.792 -9.681 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.775 5.450 -9.139 1.00 0.55 H new ATOM 0 HE2 LYS A 3 17.203 5.362 -9.445 1.00 0.78 H new ATOM 0 HE3 LYS A 3 17.132 3.653 -9.826 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 17.301 4.988 -11.820 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 15.811 4.173 -11.793 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 15.880 5.829 -11.424 1.00 1.18 H new ATOM 68 N PRO A 4 13.373 5.278 -4.212 1.00 0.28 N ATOM 69 CA PRO A 4 12.387 5.954 -3.356 1.00 0.30 C ATOM 70 C PRO A 4 10.999 5.992 -3.993 1.00 0.27 C ATOM 71 O PRO A 4 10.672 6.910 -4.749 1.00 0.35 O ATOM 72 CB PRO A 4 12.954 7.370 -3.197 1.00 0.35 C ATOM 73 CG PRO A 4 14.407 7.235 -3.490 1.00 0.43 C ATOM 74 CD PRO A 4 14.518 6.153 -4.524 1.00 0.37 C ATOM 0 HA PRO A 4 12.247 5.436 -2.407 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.475 8.067 -3.885 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.788 7.751 -2.190 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.820 8.173 -3.860 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.965 6.975 -2.590 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.456 6.554 -5.536 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.466 5.620 -4.450 1.00 0.37 H new ATOM 82 N LYS A 5 10.193 4.979 -3.692 1.00 0.24 N ATOM 83 CA LYS A 5 8.842 4.879 -4.227 1.00 0.22 C ATOM 84 C LYS A 5 7.833 5.476 -3.249 1.00 0.25 C ATOM 85 O LYS A 5 8.136 5.673 -2.070 1.00 0.48 O ATOM 86 CB LYS A 5 8.499 3.405 -4.518 1.00 0.24 C ATOM 87 CG LYS A 5 7.136 3.186 -5.167 1.00 0.24 C ATOM 88 CD LYS A 5 6.941 1.733 -5.582 1.00 0.34 C ATOM 89 CE LYS A 5 5.580 1.513 -6.221 1.00 0.35 C ATOM 90 NZ LYS A 5 5.514 0.245 -6.997 1.00 0.40 N ATOM 0 H LYS A 5 10.456 4.210 -3.075 1.00 0.24 H new ATOM 0 HA LYS A 5 8.792 5.444 -5.158 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.268 2.989 -5.169 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.536 2.846 -3.583 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.349 3.475 -4.470 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.040 3.831 -6.041 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.724 1.446 -6.284 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.043 1.088 -4.709 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.815 1.500 -5.444 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.352 2.351 -6.880 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.524 0.038 -7.241 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.072 0.342 -7.869 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 5.899 -0.533 -6.424 1.00 0.40 H new ATOM 104 N LEU A 6 6.642 5.779 -3.746 1.00 0.22 N ATOM 105 CA LEU A 6 5.577 6.330 -2.918 1.00 0.23 C ATOM 106 C LEU A 6 4.237 5.727 -3.340 1.00 0.22 C ATOM 107 O LEU A 6 4.139 5.121 -4.413 1.00 0.25 O ATOM 108 CB LEU A 6 5.537 7.866 -3.007 1.00 0.27 C ATOM 109 CG LEU A 6 4.659 8.455 -4.117 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.434 9.939 -3.877 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.290 8.226 -5.481 1.00 0.50 C ATOM 0 H LEU A 6 6.387 5.652 -4.725 1.00 0.22 H new ATOM 0 HA LEU A 6 5.775 6.070 -1.878 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.188 8.256 -2.051 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.556 8.228 -3.147 1.00 0.27 H new ATOM 0 HG LEU A 6 3.694 7.948 -4.099 1.00 0.32 H new ATOM 0 HD11 LEU A 6 3.809 10.346 -4.672 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.938 10.081 -2.917 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.394 10.456 -3.870 1.00 0.45 H new ATOM 0 HD21 LEU A 6 4.650 8.652 -6.254 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.268 8.706 -5.515 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.405 7.156 -5.654 1.00 0.50 H new ATOM 123 N LEU A 7 3.218 5.892 -2.501 1.00 0.24 N ATOM 124 CA LEU A 7 1.889 5.354 -2.779 1.00 0.26 C ATOM 125 C LEU A 7 0.838 6.458 -2.700 1.00 0.22 C ATOM 126 O LEU A 7 0.302 6.748 -1.630 1.00 0.24 O ATOM 127 CB LEU A 7 1.562 4.232 -1.784 1.00 0.32 C ATOM 128 CG LEU A 7 0.174 3.603 -1.929 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.036 2.910 -3.276 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.084 2.626 -0.791 1.00 0.46 C ATOM 0 H LEU A 7 3.288 6.397 -1.618 1.00 0.24 H new ATOM 0 HA LEU A 7 1.880 4.945 -3.789 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.310 3.447 -1.891 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.658 4.628 -0.773 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.572 4.396 -1.879 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.958 2.470 -3.359 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.178 3.637 -4.076 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.788 2.126 -3.361 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.075 2.186 -0.907 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.668 1.837 -0.811 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.030 3.154 0.161 1.00 0.46 H new ATOM 142 N TYR A 8 0.552 7.073 -3.840 1.00 0.22 N ATOM 143 CA TYR A 8 -0.422 8.152 -3.908 1.00 0.21 C ATOM 144 C TYR A 8 -1.834 7.588 -4.029 1.00 0.21 C ATOM 145 O TYR A 8 -2.137 6.842 -4.964 1.00 0.29 O ATOM 146 CB TYR A 8 -0.118 9.061 -5.104 1.00 0.24 C ATOM 147 CG TYR A 8 -0.489 10.512 -4.891 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.807 10.892 -4.670 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.483 11.502 -4.919 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.145 12.218 -4.482 1.00 0.46 C ATOM 151 CE2 TYR A 8 0.155 12.829 -4.732 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.159 13.183 -4.514 1.00 0.50 C ATOM 153 OH TYR A 8 -1.488 14.509 -4.327 1.00 0.63 O ATOM 0 H TYR A 8 0.984 6.841 -4.734 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.356 8.737 -2.991 1.00 0.21 H new ATOM 0 HB2 TYR A 8 0.946 8.999 -5.331 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.653 8.685 -5.976 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.580 10.138 -4.645 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.514 11.229 -5.090 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.174 12.498 -4.311 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.924 13.587 -4.756 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.334 14.570 -3.837 1.00 0.63 H new ATOM 163 N CYS A 9 -2.690 7.930 -3.077 1.00 0.23 N ATOM 164 CA CYS A 9 -4.069 7.467 -3.090 1.00 0.27 C ATOM 165 C CYS A 9 -4.979 8.542 -3.674 1.00 0.28 C ATOM 166 O CYS A 9 -5.045 9.662 -3.156 1.00 0.30 O ATOM 167 CB CYS A 9 -4.521 7.085 -1.679 1.00 0.30 C ATOM 168 SG CYS A 9 -3.552 5.748 -0.945 1.00 0.37 S ATOM 0 H CYS A 9 -2.453 8.527 -2.285 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.133 6.579 -3.719 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.458 7.963 -1.036 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.569 6.788 -1.710 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.351 4.809 -0.532 1.00 0.37 H new ATOM 174 N SER A 10 -5.663 8.206 -4.762 1.00 0.37 N ATOM 175 CA SER A 10 -6.563 9.140 -5.424 1.00 0.42 C ATOM 176 C SER A 10 -7.801 9.413 -4.566 1.00 0.39 C ATOM 177 O SER A 10 -8.893 8.905 -4.838 1.00 0.51 O ATOM 178 CB SER A 10 -6.963 8.590 -6.794 1.00 0.56 C ATOM 179 OG SER A 10 -5.832 8.073 -7.479 1.00 1.23 O ATOM 0 H SER A 10 -5.610 7.289 -5.205 1.00 0.37 H new ATOM 0 HA SER A 10 -6.042 10.088 -5.562 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.710 7.806 -6.672 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.424 9.380 -7.388 1.00 0.56 H new ATOM 0 HG SER A 10 -5.664 7.153 -7.186 1.00 1.23 H new ATOM 185 N ASN A 11 -7.613 10.196 -3.511 1.00 0.33 N ATOM 186 CA ASN A 11 -8.708 10.552 -2.613 1.00 0.36 C ATOM 187 C ASN A 11 -8.671 12.046 -2.297 1.00 0.35 C ATOM 188 O ASN A 11 -9.684 12.740 -2.424 1.00 0.47 O ATOM 189 CB ASN A 11 -8.639 9.731 -1.315 1.00 0.44 C ATOM 190 CG ASN A 11 -10.010 9.495 -0.690 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.192 9.641 0.524 1.00 0.63 O ATOM 192 ND2 ASN A 11 -10.980 9.098 -1.503 1.00 0.75 N ATOM 0 H ASN A 11 -6.711 10.598 -3.255 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.648 10.322 -3.114 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.170 8.770 -1.523 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.002 10.248 -0.597 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -11.910 8.903 -1.131 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.796 8.987 -2.500 1.00 0.75 H new ATOM 199 N GLY A 12 -7.497 12.533 -1.897 1.00 0.38 N ATOM 200 CA GLY A 12 -7.335 13.940 -1.579 1.00 0.45 C ATOM 201 C GLY A 12 -5.975 14.235 -0.974 1.00 0.46 C ATOM 202 O GLY A 12 -5.390 13.378 -0.312 1.00 0.87 O ATOM 0 H GLY A 12 -6.652 11.973 -1.788 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.465 14.533 -2.484 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.115 14.246 -0.882 1.00 0.45 H new ATOM 206 N GLY A 13 -5.469 15.442 -1.211 1.00 0.38 N ATOM 207 CA GLY A 13 -4.174 15.833 -0.681 1.00 0.36 C ATOM 208 C GLY A 13 -3.044 14.932 -1.151 1.00 0.31 C ATOM 209 O GLY A 13 -2.984 14.556 -2.326 1.00 0.40 O ATOM 0 H GLY A 13 -5.936 16.160 -1.764 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -3.961 16.860 -0.979 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.214 15.819 0.408 1.00 0.36 H new ATOM 213 N HIS A 14 -2.143 14.589 -0.234 1.00 0.26 N ATOM 214 CA HIS A 14 -1.005 13.730 -0.546 1.00 0.24 C ATOM 215 C HIS A 14 -0.927 12.582 0.460 1.00 0.22 C ATOM 216 O HIS A 14 -1.206 12.770 1.643 1.00 0.30 O ATOM 217 CB HIS A 14 0.303 14.531 -0.512 1.00 0.28 C ATOM 218 CG HIS A 14 0.377 15.636 -1.519 1.00 0.38 C ATOM 219 ND1 HIS A 14 0.764 15.628 -2.816 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 0.048 16.943 -1.229 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.659 16.915 -3.280 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 0.226 17.688 -2.305 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.180 14.896 0.738 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.144 13.327 -1.549 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.430 14.955 0.484 1.00 0.28 H new ATOM 0 HB3 HIS A 14 1.137 13.849 -0.677 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -0.301 17.302 -0.272 1.00 0.53 H new ATOM 0 HE1 HIS A 14 0.893 17.242 -4.282 1.00 0.72 H new ATOM 0 HE2 HIS A 14 0.057 18.692 -2.370 1.00 0.66 H new ATOM 231 N PHE A 15 -0.547 11.401 -0.008 1.00 0.20 N ATOM 232 CA PHE A 15 -0.429 10.230 0.854 1.00 0.21 C ATOM 233 C PHE A 15 0.942 9.591 0.692 1.00 0.21 C ATOM 234 O PHE A 15 1.337 9.246 -0.425 1.00 0.23 O ATOM 235 CB PHE A 15 -1.515 9.203 0.522 1.00 0.27 C ATOM 236 CG PHE A 15 -2.902 9.637 0.908 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.355 9.477 2.209 1.00 0.43 C ATOM 238 CD2 PHE A 15 -3.756 10.197 -0.029 1.00 0.31 C ATOM 239 CE1 PHE A 15 -4.630 9.868 2.569 1.00 0.50 C ATOM 240 CE2 PHE A 15 -5.031 10.590 0.325 1.00 0.37 C ATOM 241 CZ PHE A 15 -5.470 10.425 1.626 1.00 0.45 C ATOM 0 H PHE A 15 -0.314 11.227 -0.986 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.554 10.555 1.887 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.493 8.999 -0.549 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.283 8.267 1.030 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.702 9.041 2.951 1.00 0.43 H new ATOM 0 HD2 PHE A 15 -3.420 10.327 -1.047 1.00 0.31 H new ATOM 0 HE1 PHE A 15 -4.969 9.738 3.586 1.00 0.50 H new ATOM 0 HE2 PHE A 15 -5.686 11.027 -0.414 1.00 0.37 H new ATOM 0 HZ PHE A 15 -6.468 10.731 1.903 1.00 0.45 H new ATOM 251 N LEU A 16 1.669 9.443 1.799 1.00 0.20 N ATOM 252 CA LEU A 16 3.001 8.838 1.765 1.00 0.22 C ATOM 253 C LEU A 16 3.675 8.847 3.144 1.00 0.23 C ATOM 254 O LEU A 16 4.847 9.199 3.266 1.00 0.33 O ATOM 255 CB LEU A 16 3.892 9.557 0.734 1.00 0.23 C ATOM 256 CG LEU A 16 3.877 11.088 0.805 1.00 0.24 C ATOM 257 CD1 LEU A 16 5.111 11.612 1.518 1.00 0.46 C ATOM 258 CD2 LEU A 16 3.770 11.689 -0.591 1.00 0.45 C ATOM 0 H LEU A 16 1.360 9.732 2.727 1.00 0.20 H new ATOM 0 HA LEU A 16 2.875 7.797 1.468 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.918 9.214 0.865 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.579 9.254 -0.265 1.00 0.23 H new ATOM 0 HG LEU A 16 3.001 11.390 1.379 1.00 0.24 H new ATOM 0 HD11 LEU A 16 5.075 12.701 1.555 1.00 0.46 H new ATOM 0 HD12 LEU A 16 5.141 11.216 2.533 1.00 0.46 H new ATOM 0 HD13 LEU A 16 6.004 11.296 0.979 1.00 0.46 H new ATOM 0 HD21 LEU A 16 3.761 12.777 -0.519 1.00 0.45 H new ATOM 0 HD22 LEU A 16 4.624 11.372 -1.190 1.00 0.45 H new ATOM 0 HD23 LEU A 16 2.849 11.349 -1.064 1.00 0.45 H new ATOM 270 N ARG A 17 2.950 8.447 4.185 1.00 0.24 N ATOM 271 CA ARG A 17 3.533 8.418 5.523 1.00 0.26 C ATOM 272 C ARG A 17 3.030 7.231 6.334 1.00 0.22 C ATOM 273 O ARG A 17 1.851 6.876 6.281 1.00 0.29 O ATOM 274 CB ARG A 17 3.246 9.717 6.270 1.00 0.34 C ATOM 275 CG ARG A 17 3.844 9.746 7.670 1.00 0.47 C ATOM 276 CD ARG A 17 3.735 11.123 8.306 1.00 0.53 C ATOM 277 NE ARG A 17 2.356 11.469 8.653 1.00 0.54 N ATOM 278 CZ ARG A 17 2.009 12.559 9.340 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.944 13.390 9.808 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.725 12.813 9.567 1.00 0.86 N ATOM 0 H ARG A 17 1.977 8.144 4.132 1.00 0.24 H new ATOM 0 HA ARG A 17 4.611 8.310 5.399 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.641 10.555 5.695 1.00 0.34 H new ATOM 0 HB3 ARG A 17 2.167 9.859 6.339 1.00 0.34 H new ATOM 0 HG2 ARG A 17 3.334 9.015 8.298 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.892 9.450 7.623 1.00 0.47 H new ATOM 0 HD2 ARG A 17 4.352 11.155 9.204 1.00 0.53 H new ATOM 0 HD3 ARG A 17 4.132 11.870 7.619 1.00 0.53 H new ATOM 0 HE ARG A 17 1.614 10.838 8.351 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.931 13.193 9.641 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.671 14.221 10.332 1.00 0.85 H new ATOM 0 HH21 ARG A 17 0.009 12.176 9.217 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.455 13.645 10.092 1.00 0.86 H new ATOM 294 N ILE A 18 3.944 6.627 7.080 1.00 0.21 N ATOM 295 CA ILE A 18 3.634 5.489 7.926 1.00 0.20 C ATOM 296 C ILE A 18 4.130 5.764 9.342 1.00 0.20 C ATOM 297 O ILE A 18 5.276 6.188 9.535 1.00 0.26 O ATOM 298 CB ILE A 18 4.274 4.182 7.390 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.787 2.973 8.193 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.794 4.264 7.428 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.396 2.516 7.815 1.00 0.33 C ATOM 0 H ILE A 18 4.922 6.914 7.114 1.00 0.21 H new ATOM 0 HA ILE A 18 2.553 5.351 7.926 1.00 0.20 H new ATOM 0 HB ILE A 18 3.964 4.058 6.352 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.484 2.147 8.049 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.803 3.222 9.254 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.218 3.335 7.047 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.129 5.097 6.809 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.124 4.419 8.455 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.117 1.656 8.424 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.688 3.327 7.986 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.379 2.235 6.762 1.00 0.33 H new ATOM 313 N LEU A 19 3.262 5.548 10.319 1.00 0.21 N ATOM 314 CA LEU A 19 3.610 5.769 11.715 1.00 0.24 C ATOM 315 C LEU A 19 4.061 4.460 12.355 1.00 0.23 C ATOM 316 O LEU A 19 3.389 3.432 12.205 1.00 0.22 O ATOM 317 CB LEU A 19 2.418 6.347 12.494 1.00 0.30 C ATOM 318 CG LEU A 19 1.959 7.750 12.072 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.135 8.718 12.039 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.264 7.709 10.718 1.00 0.48 C ATOM 0 H LEU A 19 2.308 5.219 10.170 1.00 0.21 H new ATOM 0 HA LEU A 19 4.427 6.489 11.752 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.575 5.664 12.391 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.679 6.374 13.552 1.00 0.30 H new ATOM 0 HG LEU A 19 1.243 8.106 12.813 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.785 9.705 11.737 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.584 8.779 13.030 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.879 8.363 11.325 1.00 0.54 H new ATOM 0 HD21 LEU A 19 0.948 8.715 10.441 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.954 7.325 9.966 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.392 7.058 10.776 1.00 0.48 H new ATOM 332 N PRO A 20 5.201 4.478 13.076 1.00 0.29 N ATOM 333 CA PRO A 20 5.750 3.292 13.746 1.00 0.33 C ATOM 334 C PRO A 20 4.683 2.526 14.522 1.00 0.30 C ATOM 335 O PRO A 20 4.739 1.298 14.626 1.00 0.36 O ATOM 336 CB PRO A 20 6.809 3.862 14.705 1.00 0.41 C ATOM 337 CG PRO A 20 6.659 5.349 14.641 1.00 0.55 C ATOM 338 CD PRO A 20 6.048 5.652 13.306 1.00 0.38 C ATOM 0 HA PRO A 20 6.157 2.577 13.031 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.654 3.497 15.720 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.812 3.557 14.406 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.025 5.711 15.450 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.625 5.842 14.748 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.468 6.575 13.324 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.804 5.766 12.529 1.00 0.38 H new ATOM 346 N ASP A 21 3.713 3.261 15.061 1.00 0.27 N ATOM 347 CA ASP A 21 2.615 2.659 15.812 1.00 0.30 C ATOM 348 C ASP A 21 1.960 1.549 14.998 1.00 0.29 C ATOM 349 O ASP A 21 1.409 0.603 15.557 1.00 0.41 O ATOM 350 CB ASP A 21 1.559 3.711 16.170 1.00 0.36 C ATOM 351 CG ASP A 21 2.145 4.929 16.846 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.346 4.895 18.079 1.00 0.96 O ATOM 353 OD2 ASP A 21 2.417 5.927 16.146 1.00 0.95 O ATOM 0 H ASP A 21 3.666 4.277 14.991 1.00 0.27 H new ATOM 0 HA ASP A 21 3.028 2.242 16.730 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.040 4.020 15.263 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.814 3.261 16.826 1.00 0.36 H new ATOM 358 N GLY A 22 2.024 1.677 13.673 1.00 0.24 N ATOM 359 CA GLY A 22 1.435 0.688 12.796 1.00 0.27 C ATOM 360 C GLY A 22 0.249 1.249 12.047 1.00 0.27 C ATOM 361 O GLY A 22 -0.843 0.678 12.082 1.00 0.35 O ATOM 0 H GLY A 22 2.477 2.455 13.193 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.184 0.339 12.085 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.122 -0.177 13.380 1.00 0.27 H new ATOM 365 N THR A 23 0.456 2.379 11.379 1.00 0.24 N ATOM 366 CA THR A 23 -0.609 3.025 10.622 1.00 0.27 C ATOM 367 C THR A 23 -0.041 3.934 9.533 1.00 0.22 C ATOM 368 O THR A 23 1.000 4.571 9.723 1.00 0.25 O ATOM 369 CB THR A 23 -1.517 3.863 11.550 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.817 3.125 12.745 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.814 4.242 10.848 1.00 0.43 C ATOM 0 H THR A 23 1.352 2.866 11.347 1.00 0.24 H new ATOM 0 HA THR A 23 -1.196 2.233 10.157 1.00 0.27 H new ATOM 0 HB THR A 23 -0.982 4.776 11.810 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.391 3.665 13.327 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.434 4.831 11.523 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.588 4.829 9.958 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.349 3.337 10.560 1.00 0.43 H new ATOM 379 N VAL A 24 -0.721 3.969 8.390 1.00 0.25 N ATOM 380 CA VAL A 24 -0.316 4.807 7.264 1.00 0.24 C ATOM 381 C VAL A 24 -1.313 5.950 7.096 1.00 0.28 C ATOM 382 O VAL A 24 -2.523 5.742 7.237 1.00 0.37 O ATOM 383 CB VAL A 24 -0.230 3.989 5.951 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.573 3.351 5.611 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.257 4.858 4.799 1.00 0.32 C ATOM 0 H VAL A 24 -1.564 3.421 8.218 1.00 0.25 H new ATOM 0 HA VAL A 24 0.676 5.207 7.476 1.00 0.24 H new ATOM 0 HB VAL A 24 0.494 3.189 6.106 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.482 2.783 4.685 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.873 2.683 6.418 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.325 4.130 5.487 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.309 4.260 3.889 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.436 5.686 4.650 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.247 5.250 5.032 1.00 0.32 H new ATOM 395 N ASP A 25 -0.815 7.148 6.805 1.00 0.28 N ATOM 396 CA ASP A 25 -1.689 8.308 6.645 1.00 0.35 C ATOM 397 C ASP A 25 -1.190 9.251 5.546 1.00 0.27 C ATOM 398 O ASP A 25 -0.202 8.966 4.859 1.00 0.26 O ATOM 399 CB ASP A 25 -1.831 9.056 7.980 1.00 0.50 C ATOM 400 CG ASP A 25 -0.718 10.060 8.242 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.471 9.712 8.086 1.00 1.19 O ATOM 402 OD2 ASP A 25 -1.035 11.204 8.635 1.00 1.28 O ATOM 0 H ASP A 25 0.178 7.341 6.676 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.669 7.944 6.338 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -2.788 9.577 7.994 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -1.851 8.330 8.793 1.00 0.50 H new ATOM 407 N GLY A 26 -1.903 10.365 5.378 1.00 0.27 N ATOM 408 CA GLY A 26 -1.550 11.343 4.366 1.00 0.26 C ATOM 409 C GLY A 26 -0.307 12.135 4.724 1.00 0.32 C ATOM 410 O GLY A 26 0.006 12.317 5.904 1.00 0.72 O ATOM 0 H GLY A 26 -2.725 10.606 5.931 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.390 10.834 3.415 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.385 12.030 4.224 1.00 0.26 H new ATOM 414 N THR A 27 0.391 12.617 3.704 1.00 0.25 N ATOM 415 CA THR A 27 1.614 13.392 3.882 1.00 0.23 C ATOM 416 C THR A 27 2.104 13.912 2.529 1.00 0.23 C ATOM 417 O THR A 27 1.884 13.277 1.495 1.00 0.26 O ATOM 418 CB THR A 27 2.730 12.551 4.557 1.00 0.30 C ATOM 419 OG1 THR A 27 2.488 12.441 5.968 1.00 0.60 O ATOM 420 CG2 THR A 27 4.109 13.164 4.333 1.00 0.65 C ATOM 0 H THR A 27 0.126 12.482 2.728 1.00 0.25 H new ATOM 0 HA THR A 27 1.384 14.232 4.537 1.00 0.23 H new ATOM 0 HB THR A 27 2.712 11.562 4.100 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.572 12.729 6.166 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.865 12.548 4.820 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.316 13.214 3.264 1.00 0.65 H new ATOM 0 HG23 THR A 27 4.133 14.169 4.755 1.00 0.65 H new ATOM 428 N ARG A 28 2.750 15.071 2.543 1.00 0.26 N ATOM 429 CA ARG A 28 3.275 15.680 1.327 1.00 0.29 C ATOM 430 C ARG A 28 4.797 15.617 1.329 1.00 0.29 C ATOM 431 O ARG A 28 5.427 15.847 2.364 1.00 0.39 O ATOM 432 CB ARG A 28 2.808 17.135 1.224 1.00 0.36 C ATOM 433 CG ARG A 28 3.325 18.023 2.345 1.00 0.44 C ATOM 434 CD ARG A 28 2.713 19.409 2.292 1.00 0.57 C ATOM 435 NE ARG A 28 1.259 19.375 2.461 1.00 0.66 N ATOM 436 CZ ARG A 28 0.627 19.533 3.631 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.318 19.701 4.758 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.703 19.517 3.670 1.00 1.12 N ATOM 0 H ARG A 28 2.924 15.612 3.390 1.00 0.26 H new ATOM 0 HA ARG A 28 2.900 15.129 0.465 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.133 17.545 0.268 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.718 17.159 1.227 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.100 17.563 3.307 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.410 18.102 2.276 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.154 20.030 3.072 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.956 19.876 1.338 1.00 0.57 H new ATOM 0 HE ARG A 28 0.688 19.220 1.630 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.338 19.710 4.734 1.00 1.04 H new ATOM 0 HH12 ARG A 28 0.827 19.821 5.644 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.237 19.385 2.811 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -1.189 19.637 4.559 1.00 1.12 H new ATOM 452 N ASP A 29 5.384 15.305 0.177 1.00 0.27 N ATOM 453 CA ASP A 29 6.839 15.215 0.054 1.00 0.29 C ATOM 454 C ASP A 29 7.239 14.968 -1.400 1.00 0.30 C ATOM 455 O ASP A 29 6.389 15.007 -2.297 1.00 0.37 O ATOM 456 CB ASP A 29 7.385 14.089 0.948 1.00 0.31 C ATOM 457 CG ASP A 29 8.774 14.385 1.488 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.710 14.571 0.680 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.933 14.443 2.724 1.00 0.53 O ATOM 0 H ASP A 29 4.876 15.110 -0.686 1.00 0.27 H new ATOM 0 HA ASP A 29 7.269 16.162 0.380 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.702 13.931 1.783 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.412 13.160 0.378 1.00 0.31 H new ATOM 464 N ARG A 30 8.522 14.712 -1.635 1.00 0.35 N ATOM 465 CA ARG A 30 9.023 14.457 -2.977 1.00 0.39 C ATOM 466 C ARG A 30 9.398 12.988 -3.127 1.00 0.37 C ATOM 467 O ARG A 30 10.564 12.616 -2.983 1.00 0.41 O ATOM 468 CB ARG A 30 10.229 15.349 -3.287 1.00 0.48 C ATOM 469 CG ARG A 30 10.773 15.171 -4.697 1.00 0.53 C ATOM 470 CD ARG A 30 9.712 15.464 -5.747 1.00 0.62 C ATOM 471 NE ARG A 30 10.237 15.368 -7.113 1.00 0.72 N ATOM 472 CZ ARG A 30 9.571 15.788 -8.194 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.359 16.327 -8.068 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.118 15.673 -9.402 1.00 1.02 N ATOM 0 H ARG A 30 9.236 14.676 -0.907 1.00 0.35 H new ATOM 0 HA ARG A 30 8.233 14.694 -3.690 1.00 0.39 H new ATOM 0 HB2 ARG A 30 9.945 16.392 -3.145 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.022 15.135 -2.571 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.625 15.834 -4.845 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.137 14.151 -4.821 1.00 0.53 H new ATOM 0 HD2 ARG A 30 8.884 14.765 -5.629 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.310 16.464 -5.584 1.00 0.62 H new ATOM 0 HE ARG A 30 11.162 14.958 -7.246 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.936 16.421 -7.145 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.854 16.646 -8.895 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.047 15.264 -9.504 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.608 15.994 -10.225 1.00 1.02 H new ATOM 488 N SER A 31 8.393 12.160 -3.395 1.00 0.44 N ATOM 489 CA SER A 31 8.596 10.725 -3.565 1.00 0.51 C ATOM 490 C SER A 31 9.358 10.134 -2.377 1.00 0.51 C ATOM 491 O SER A 31 10.170 9.219 -2.538 1.00 0.86 O ATOM 492 CB SER A 31 9.345 10.452 -4.872 1.00 0.65 C ATOM 493 OG SER A 31 8.745 11.144 -5.956 1.00 0.74 O ATOM 0 H SER A 31 7.424 12.461 -3.500 1.00 0.44 H new ATOM 0 HA SER A 31 7.620 10.243 -3.610 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.385 10.760 -4.770 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.348 9.381 -5.077 1.00 0.65 H new ATOM 0 HG SER A 31 9.242 10.956 -6.779 1.00 0.74 H new ATOM 499 N ASP A 32 9.085 10.656 -1.185 1.00 0.47 N ATOM 500 CA ASP A 32 9.742 10.178 0.023 1.00 0.47 C ATOM 501 C ASP A 32 8.722 9.931 1.119 1.00 0.49 C ATOM 502 O ASP A 32 8.124 10.869 1.646 1.00 1.05 O ATOM 503 CB ASP A 32 10.813 11.167 0.503 1.00 0.57 C ATOM 504 CG ASP A 32 12.181 10.870 -0.081 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.695 9.752 0.123 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.756 11.757 -0.745 1.00 0.83 O ATOM 0 H ASP A 32 8.414 11.409 -1.032 1.00 0.47 H new ATOM 0 HA ASP A 32 10.237 9.237 -0.216 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.517 12.180 0.229 1.00 0.57 H new ATOM 0 HB3 ASP A 32 10.871 11.135 1.591 1.00 0.57 H new ATOM 511 N GLN A 33 8.509 8.658 1.426 1.00 0.35 N ATOM 512 CA GLN A 33 7.567 8.252 2.462 1.00 0.34 C ATOM 513 C GLN A 33 8.083 8.694 3.840 1.00 0.35 C ATOM 514 O GLN A 33 8.858 9.645 3.931 1.00 0.54 O ATOM 515 CB GLN A 33 7.379 6.729 2.401 1.00 0.45 C ATOM 516 CG GLN A 33 5.941 6.275 2.597 1.00 0.53 C ATOM 517 CD GLN A 33 5.768 5.436 3.847 1.00 0.71 C ATOM 518 OE1 GLN A 33 6.454 5.649 4.846 1.00 0.98 O ATOM 519 NE2 GLN A 33 4.861 4.475 3.798 1.00 0.82 N ATOM 0 H GLN A 33 8.982 7.880 0.966 1.00 0.35 H new ATOM 0 HA GLN A 33 6.601 8.730 2.297 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.735 6.368 1.436 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.003 6.265 3.165 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.291 7.148 2.656 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.623 5.699 1.728 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.314 4.333 2.949 1.00 0.82 H new ATOM 0 HE22 GLN A 33 4.709 3.876 4.609 1.00 0.82 H new ATOM 528 N HIS A 34 7.666 8.007 4.910 1.00 0.34 N ATOM 529 CA HIS A 34 8.125 8.341 6.264 1.00 0.39 C ATOM 530 C HIS A 34 9.625 8.642 6.253 1.00 0.37 C ATOM 531 O HIS A 34 10.107 9.511 6.978 1.00 0.50 O ATOM 532 CB HIS A 34 7.832 7.185 7.228 1.00 0.48 C ATOM 533 CG HIS A 34 8.344 7.408 8.619 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.403 6.703 9.159 1.00 0.86 N ATOM 535 CD2 HIS A 34 7.932 8.259 9.586 1.00 0.83 C ATOM 536 CE1 HIS A 34 9.618 7.117 10.396 1.00 0.99 C ATOM 537 NE2 HIS A 34 8.739 8.056 10.678 1.00 0.95 N ATOM 0 H HIS A 34 7.016 7.222 4.866 1.00 0.34 H new ATOM 0 HA HIS A 34 7.587 9.226 6.603 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.755 7.024 7.270 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.276 6.272 6.830 1.00 0.48 H new ATOM 0 HD2 HIS A 34 7.119 8.967 9.513 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.384 6.748 11.062 1.00 0.99 H new ATOM 0 HE2 HIS A 34 8.669 8.553 11.566 1.00 0.95 H new ATOM 546 N ILE A 35 10.349 7.897 5.426 1.00 0.31 N ATOM 547 CA ILE A 35 11.787 8.066 5.266 1.00 0.34 C ATOM 548 C ILE A 35 12.191 7.708 3.834 1.00 0.33 C ATOM 549 O ILE A 35 12.962 8.424 3.199 1.00 0.40 O ATOM 550 CB ILE A 35 12.581 7.196 6.269 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.376 7.711 7.700 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.062 7.185 5.915 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.114 6.913 8.753 1.00 0.51 C ATOM 0 H ILE A 35 9.954 7.157 4.846 1.00 0.31 H new ATOM 0 HA ILE A 35 12.027 9.110 5.469 1.00 0.34 H new ATOM 0 HB ILE A 35 12.207 6.174 6.210 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.702 8.750 7.751 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.311 7.699 7.930 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.603 6.568 6.632 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.194 6.777 4.913 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.451 8.203 5.946 1.00 0.52 H new ATOM 0 HD11 ILE A 35 12.918 7.340 9.737 1.00 0.51 H new ATOM 0 HD12 ILE A 35 12.772 5.878 8.732 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.184 6.945 8.550 1.00 0.51 H new ATOM 565 N GLN A 36 11.662 6.584 3.344 1.00 0.29 N ATOM 566 CA GLN A 36 11.933 6.103 1.991 1.00 0.30 C ATOM 567 C GLN A 36 11.195 4.783 1.767 1.00 0.30 C ATOM 568 O GLN A 36 11.284 3.883 2.596 1.00 0.64 O ATOM 569 CB GLN A 36 13.439 5.915 1.793 1.00 0.37 C ATOM 570 CG GLN A 36 13.812 5.135 0.546 1.00 0.40 C ATOM 571 CD GLN A 36 15.296 4.846 0.483 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.062 5.599 -0.116 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.717 3.761 1.113 1.00 0.61 N ATOM 0 H GLN A 36 11.033 5.983 3.876 1.00 0.29 H new ATOM 0 HA GLN A 36 11.581 6.836 1.266 1.00 0.30 H new ATOM 0 HB2 GLN A 36 13.913 6.896 1.750 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.847 5.402 2.664 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.258 4.196 0.526 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.514 5.699 -0.338 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.049 3.162 1.599 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.709 3.524 1.113 1.00 0.61 H new ATOM 582 N LEU A 37 10.458 4.677 0.670 1.00 0.27 N ATOM 583 CA LEU A 37 9.707 3.457 0.380 1.00 0.25 C ATOM 584 C LEU A 37 10.362 2.682 -0.758 1.00 0.22 C ATOM 585 O LEU A 37 10.725 3.260 -1.784 1.00 0.26 O ATOM 586 CB LEU A 37 8.255 3.791 0.022 1.00 0.33 C ATOM 587 CG LEU A 37 7.204 2.798 0.533 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.802 3.311 0.244 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.410 1.429 -0.097 1.00 0.53 C ATOM 0 H LEU A 37 10.362 5.412 -0.030 1.00 0.27 H new ATOM 0 HA LEU A 37 9.712 2.834 1.274 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.019 4.779 0.418 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.172 3.855 -1.063 1.00 0.33 H new ATOM 0 HG LEU A 37 7.321 2.700 1.612 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.069 2.594 0.613 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.655 4.269 0.742 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.675 3.438 -0.831 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.655 0.738 0.278 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.322 1.510 -1.180 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.402 1.056 0.159 1.00 0.53 H new ATOM 601 N GLN A 38 10.512 1.379 -0.562 1.00 0.23 N ATOM 602 CA GLN A 38 11.112 0.506 -1.561 1.00 0.27 C ATOM 603 C GLN A 38 10.164 -0.647 -1.891 1.00 0.24 C ATOM 604 O GLN A 38 9.450 -1.145 -1.013 1.00 0.32 O ATOM 605 CB GLN A 38 12.445 -0.049 -1.050 1.00 0.38 C ATOM 606 CG GLN A 38 13.492 1.019 -0.789 1.00 0.51 C ATOM 607 CD GLN A 38 14.515 0.599 0.251 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.212 -0.157 1.174 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.734 1.092 0.115 1.00 0.75 N ATOM 0 H GLN A 38 10.222 0.899 0.290 1.00 0.23 H new ATOM 0 HA GLN A 38 11.294 1.087 -2.465 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.268 -0.604 -0.129 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.836 -0.758 -1.779 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.005 1.254 -1.722 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.998 1.932 -0.458 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.948 1.716 -0.663 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.461 0.849 0.788 1.00 0.75 H new ATOM 618 N LEU A 39 10.149 -1.057 -3.153 1.00 0.24 N ATOM 619 CA LEU A 39 9.298 -2.153 -3.599 1.00 0.24 C ATOM 620 C LEU A 39 9.971 -2.890 -4.752 1.00 0.26 C ATOM 621 O LEU A 39 10.044 -2.375 -5.870 1.00 0.34 O ATOM 622 CB LEU A 39 7.920 -1.625 -4.022 1.00 0.26 C ATOM 623 CG LEU A 39 6.887 -2.698 -4.382 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.474 -2.148 -4.245 1.00 0.38 C ATOM 625 CD2 LEU A 39 7.122 -3.216 -5.794 1.00 0.41 C ATOM 0 H LEU A 39 10.720 -0.644 -3.890 1.00 0.24 H new ATOM 0 HA LEU A 39 9.153 -2.850 -2.774 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.519 -1.016 -3.212 1.00 0.26 H new ATOM 0 HB3 LEU A 39 8.050 -0.967 -4.881 1.00 0.26 H new ATOM 0 HG LEU A 39 7.002 -3.530 -3.687 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.755 -2.924 -4.505 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.306 -1.827 -3.217 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.348 -1.298 -4.915 1.00 0.38 H new ATOM 0 HD21 LEU A 39 6.378 -3.977 -6.031 1.00 0.41 H new ATOM 0 HD22 LEU A 39 7.037 -2.392 -6.503 1.00 0.41 H new ATOM 0 HD23 LEU A 39 8.120 -3.650 -5.861 1.00 0.41 H new ATOM 637 N SER A 40 10.478 -4.084 -4.468 1.00 0.25 N ATOM 638 CA SER A 40 11.163 -4.901 -5.469 1.00 0.28 C ATOM 639 C SER A 40 11.611 -6.231 -4.858 1.00 0.29 C ATOM 640 O SER A 40 11.179 -6.588 -3.758 1.00 0.38 O ATOM 641 CB SER A 40 12.373 -4.144 -6.037 1.00 0.36 C ATOM 642 OG SER A 40 11.999 -3.309 -7.122 1.00 0.55 O ATOM 0 H SER A 40 10.428 -4.513 -3.544 1.00 0.25 H new ATOM 0 HA SER A 40 10.467 -5.109 -6.281 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.828 -3.541 -5.252 1.00 0.36 H new ATOM 0 HB3 SER A 40 13.128 -4.857 -6.368 1.00 0.36 H new ATOM 0 HG SER A 40 11.056 -3.059 -7.032 1.00 0.55 H new ATOM 648 N ALA A 41 12.456 -6.966 -5.581 1.00 0.33 N ATOM 649 CA ALA A 41 12.968 -8.249 -5.106 1.00 0.37 C ATOM 650 C ALA A 41 11.854 -9.290 -5.067 1.00 0.36 C ATOM 651 O ALA A 41 11.749 -10.077 -4.125 1.00 0.76 O ATOM 652 CB ALA A 41 13.623 -8.094 -3.734 1.00 0.46 C ATOM 0 H ALA A 41 12.801 -6.692 -6.501 1.00 0.33 H new ATOM 0 HA ALA A 41 13.730 -8.596 -5.804 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.998 -9.061 -3.398 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.451 -7.388 -3.804 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.888 -7.722 -3.020 1.00 0.46 H new ATOM 658 N GLU A 42 11.020 -9.285 -6.100 1.00 0.35 N ATOM 659 CA GLU A 42 9.915 -10.227 -6.206 1.00 0.30 C ATOM 660 C GLU A 42 9.793 -10.739 -7.637 1.00 0.33 C ATOM 661 O GLU A 42 10.527 -10.295 -8.525 1.00 0.51 O ATOM 662 CB GLU A 42 8.610 -9.571 -5.753 1.00 0.32 C ATOM 663 CG GLU A 42 8.431 -9.551 -4.239 1.00 0.54 C ATOM 664 CD GLU A 42 8.584 -10.928 -3.614 1.00 0.76 C ATOM 665 OE1 GLU A 42 7.956 -11.884 -4.109 1.00 1.01 O ATOM 666 OE2 GLU A 42 9.348 -11.066 -2.632 1.00 1.05 O ATOM 0 H GLU A 42 11.090 -8.633 -6.881 1.00 0.35 H new ATOM 0 HA GLU A 42 10.115 -11.076 -5.553 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.578 -8.548 -6.128 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.771 -10.102 -6.203 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.163 -8.873 -3.799 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.444 -9.155 -3.999 1.00 0.54 H new ATOM 673 N SER A 43 8.875 -11.669 -7.859 1.00 0.31 N ATOM 674 CA SER A 43 8.679 -12.251 -9.180 1.00 0.38 C ATOM 675 C SER A 43 7.784 -11.357 -10.048 1.00 0.34 C ATOM 676 O SER A 43 7.608 -10.167 -9.764 1.00 0.61 O ATOM 677 CB SER A 43 8.068 -13.650 -9.044 1.00 0.52 C ATOM 678 OG SER A 43 6.714 -13.578 -8.628 1.00 1.04 O ATOM 0 H SER A 43 8.253 -12.038 -7.140 1.00 0.31 H new ATOM 0 HA SER A 43 9.649 -12.330 -9.672 1.00 0.38 H new ATOM 0 HB2 SER A 43 8.131 -14.172 -9.999 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.642 -14.233 -8.324 1.00 0.52 H new ATOM 0 HG SER A 43 6.569 -14.193 -7.879 1.00 1.04 H new ATOM 684 N VAL A 44 7.232 -11.932 -11.112 1.00 0.39 N ATOM 685 CA VAL A 44 6.353 -11.205 -12.015 1.00 0.39 C ATOM 686 C VAL A 44 4.979 -10.998 -11.370 1.00 0.36 C ATOM 687 O VAL A 44 4.153 -11.911 -11.331 1.00 0.59 O ATOM 688 CB VAL A 44 6.207 -11.935 -13.378 1.00 0.52 C ATOM 689 CG1 VAL A 44 5.774 -13.384 -13.196 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.237 -11.198 -14.288 1.00 0.58 C ATOM 0 H VAL A 44 7.381 -12.908 -11.369 1.00 0.39 H new ATOM 0 HA VAL A 44 6.804 -10.231 -12.206 1.00 0.39 H new ATOM 0 HB VAL A 44 7.189 -11.939 -13.851 1.00 0.52 H new ATOM 0 HG11 VAL A 44 5.683 -13.862 -14.171 1.00 0.60 H new ATOM 0 HG12 VAL A 44 6.518 -13.914 -12.601 1.00 0.60 H new ATOM 0 HG13 VAL A 44 4.811 -13.415 -12.685 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.152 -11.729 -15.236 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.258 -11.148 -13.812 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.604 -10.188 -14.470 1.00 0.58 H new ATOM 700 N GLY A 45 4.758 -9.805 -10.826 1.00 0.32 N ATOM 701 CA GLY A 45 3.490 -9.492 -10.190 1.00 0.33 C ATOM 702 C GLY A 45 3.627 -9.327 -8.691 1.00 0.28 C ATOM 703 O GLY A 45 3.092 -8.376 -8.110 1.00 0.33 O ATOM 0 H GLY A 45 5.439 -9.045 -10.814 1.00 0.32 H new ATOM 0 HA2 GLY A 45 3.087 -8.575 -10.619 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.773 -10.285 -10.402 1.00 0.33 H new ATOM 707 N GLU A 46 4.336 -10.255 -8.057 1.00 0.27 N ATOM 708 CA GLU A 46 4.550 -10.197 -6.617 1.00 0.28 C ATOM 709 C GLU A 46 5.384 -8.968 -6.267 1.00 0.24 C ATOM 710 O GLU A 46 6.273 -8.576 -7.029 1.00 0.31 O ATOM 711 CB GLU A 46 5.238 -11.471 -6.122 1.00 0.39 C ATOM 712 CG GLU A 46 4.438 -12.736 -6.397 1.00 0.51 C ATOM 713 CD GLU A 46 5.070 -13.975 -5.802 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.035 -14.505 -6.397 1.00 0.86 O ATOM 715 OE2 GLU A 46 4.600 -14.442 -4.751 1.00 0.82 O ATOM 0 H GLU A 46 4.771 -11.055 -8.517 1.00 0.27 H new ATOM 0 HA GLU A 46 3.582 -10.121 -6.121 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.214 -11.557 -6.599 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.414 -11.387 -5.050 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.432 -12.618 -5.994 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.336 -12.868 -7.474 1.00 0.51 H new ATOM 722 N VAL A 47 5.089 -8.352 -5.130 1.00 0.22 N ATOM 723 CA VAL A 47 5.814 -7.165 -4.708 1.00 0.25 C ATOM 724 C VAL A 47 6.044 -7.142 -3.201 1.00 0.23 C ATOM 725 O VAL A 47 5.134 -7.406 -2.412 1.00 0.29 O ATOM 726 CB VAL A 47 5.073 -5.875 -5.124 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.051 -5.743 -6.640 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.655 -5.854 -4.564 1.00 0.35 C ATOM 0 H VAL A 47 4.356 -8.654 -4.488 1.00 0.22 H new ATOM 0 HA VAL A 47 6.781 -7.204 -5.209 1.00 0.25 H new ATOM 0 HB VAL A 47 5.612 -5.024 -4.707 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.526 -4.829 -6.918 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.073 -5.703 -7.017 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.539 -6.602 -7.073 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.156 -4.935 -4.872 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.101 -6.713 -4.944 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.693 -5.899 -3.476 1.00 0.35 H new ATOM 738 N TYR A 48 7.277 -6.837 -2.818 1.00 0.22 N ATOM 739 CA TYR A 48 7.650 -6.741 -1.420 1.00 0.22 C ATOM 740 C TYR A 48 7.758 -5.270 -1.035 1.00 0.22 C ATOM 741 O TYR A 48 8.688 -4.575 -1.458 1.00 0.29 O ATOM 742 CB TYR A 48 8.977 -7.464 -1.168 1.00 0.25 C ATOM 743 CG TYR A 48 9.566 -7.214 0.204 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.042 -7.837 1.330 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.648 -6.360 0.370 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.577 -7.612 2.582 1.00 0.66 C ATOM 747 CE2 TYR A 48 11.190 -6.130 1.619 1.00 0.74 C ATOM 748 CZ TYR A 48 10.653 -6.758 2.723 1.00 0.72 C ATOM 749 OH TYR A 48 11.194 -6.529 3.972 1.00 0.92 O ATOM 0 H TYR A 48 8.041 -6.651 -3.468 1.00 0.22 H new ATOM 0 HA TYR A 48 6.887 -7.220 -0.806 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.825 -8.536 -1.296 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.698 -7.152 -1.924 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.203 -8.508 1.224 1.00 0.49 H new ATOM 0 HD2 TYR A 48 11.073 -5.867 -0.492 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.156 -8.102 3.448 1.00 0.66 H new ATOM 0 HE2 TYR A 48 12.031 -5.461 1.731 1.00 0.74 H new ATOM 0 HH TYR A 48 11.072 -7.324 4.532 1.00 0.92 H new ATOM 759 N ILE A 49 6.795 -4.795 -0.257 1.00 0.21 N ATOM 760 CA ILE A 49 6.772 -3.400 0.165 1.00 0.22 C ATOM 761 C ILE A 49 7.690 -3.163 1.360 1.00 0.23 C ATOM 762 O ILE A 49 7.484 -3.717 2.441 1.00 0.37 O ATOM 763 CB ILE A 49 5.341 -2.941 0.520 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.412 -3.104 -0.690 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.349 -1.493 0.994 1.00 0.30 C ATOM 766 CD1 ILE A 49 2.967 -2.754 -0.398 1.00 0.38 C ATOM 0 H ILE A 49 6.019 -5.355 0.095 1.00 0.21 H new ATOM 0 HA ILE A 49 7.132 -2.812 -0.679 1.00 0.22 H new ATOM 0 HB ILE A 49 4.967 -3.567 1.330 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.773 -2.473 -1.502 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.464 -4.135 -1.041 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.333 -1.185 1.240 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.980 -1.403 1.878 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.740 -0.853 0.203 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.370 -2.893 -1.299 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.588 -3.402 0.392 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.902 -1.714 -0.077 1.00 0.38 H new ATOM 778 N LYS A 50 8.710 -2.343 1.150 1.00 0.21 N ATOM 779 CA LYS A 50 9.658 -2.008 2.197 1.00 0.25 C ATOM 780 C LYS A 50 9.585 -0.517 2.512 1.00 0.21 C ATOM 781 O LYS A 50 10.062 0.321 1.741 1.00 0.26 O ATOM 782 CB LYS A 50 11.079 -2.402 1.777 1.00 0.34 C ATOM 783 CG LYS A 50 12.170 -1.899 2.717 1.00 0.49 C ATOM 784 CD LYS A 50 11.887 -2.254 4.173 1.00 0.73 C ATOM 785 CE LYS A 50 11.793 -3.758 4.386 1.00 1.35 C ATOM 786 NZ LYS A 50 13.093 -4.446 4.161 1.00 1.74 N ATOM 0 H LYS A 50 8.901 -1.895 0.254 1.00 0.21 H new ATOM 0 HA LYS A 50 9.400 -2.567 3.097 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.140 -3.489 1.716 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.271 -2.015 0.776 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.128 -2.327 2.420 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.260 -0.817 2.620 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.676 -1.847 4.805 1.00 0.73 H new ATOM 0 HD3 LYS A 50 10.954 -1.785 4.486 1.00 0.73 H new ATOM 0 HE2 LYS A 50 11.451 -3.958 5.401 1.00 1.35 H new ATOM 0 HE3 LYS A 50 11.045 -4.172 3.710 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 12.929 -5.465 4.032 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 13.548 -4.058 3.310 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 13.712 -4.296 4.983 1.00 1.74 H new ATOM 800 N SER A 51 8.960 -0.192 3.635 1.00 0.24 N ATOM 801 CA SER A 51 8.822 1.191 4.061 1.00 0.25 C ATOM 802 C SER A 51 9.963 1.557 5.004 1.00 0.25 C ATOM 803 O SER A 51 10.088 0.982 6.079 1.00 0.33 O ATOM 804 CB SER A 51 7.466 1.405 4.749 1.00 0.32 C ATOM 805 OG SER A 51 6.397 0.911 3.950 1.00 0.53 O ATOM 0 H SER A 51 8.539 -0.871 4.269 1.00 0.24 H new ATOM 0 HA SER A 51 8.867 1.839 3.185 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.463 0.902 5.716 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.318 2.467 4.942 1.00 0.32 H new ATOM 0 HG SER A 51 5.638 1.529 4.001 1.00 0.53 H new ATOM 811 N THR A 52 10.795 2.502 4.581 1.00 0.24 N ATOM 812 CA THR A 52 11.935 2.956 5.370 1.00 0.28 C ATOM 813 C THR A 52 13.107 1.993 5.207 1.00 0.28 C ATOM 814 O THR A 52 12.970 0.793 5.442 1.00 0.34 O ATOM 815 CB THR A 52 11.586 3.113 6.870 1.00 0.32 C ATOM 816 OG1 THR A 52 10.382 3.885 7.018 1.00 0.35 O ATOM 817 CG2 THR A 52 12.725 3.793 7.623 1.00 0.38 C ATOM 0 H THR A 52 10.699 2.975 3.682 1.00 0.24 H new ATOM 0 HA THR A 52 12.214 3.940 4.994 1.00 0.28 H new ATOM 0 HB THR A 52 11.434 2.119 7.290 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.610 4.836 7.089 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.457 3.893 8.675 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.630 3.192 7.534 1.00 0.38 H new ATOM 0 HG23 THR A 52 12.903 4.781 7.199 1.00 0.38 H new ATOM 825 N GLU A 53 14.249 2.531 4.778 1.00 0.31 N ATOM 826 CA GLU A 53 15.455 1.731 4.578 1.00 0.35 C ATOM 827 C GLU A 53 15.643 0.743 5.727 1.00 0.31 C ATOM 828 O GLU A 53 15.826 -0.459 5.505 1.00 0.37 O ATOM 829 CB GLU A 53 16.679 2.646 4.472 1.00 0.43 C ATOM 830 CG GLU A 53 17.914 1.955 3.922 1.00 0.47 C ATOM 831 CD GLU A 53 17.843 1.737 2.425 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.141 2.683 1.665 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.486 0.623 1.994 1.00 0.74 O ATOM 0 H GLU A 53 14.363 3.521 4.562 1.00 0.31 H new ATOM 0 HA GLU A 53 15.346 1.168 3.651 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.433 3.494 3.832 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.908 3.047 5.459 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.795 2.553 4.157 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.039 0.993 4.420 1.00 0.47 H new ATOM 840 N THR A 54 15.584 1.261 6.949 1.00 0.28 N ATOM 841 CA THR A 54 15.739 0.451 8.144 1.00 0.31 C ATOM 842 C THR A 54 15.021 1.112 9.318 1.00 0.33 C ATOM 843 O THR A 54 15.198 2.307 9.569 1.00 0.52 O ATOM 844 CB THR A 54 17.231 0.251 8.493 1.00 0.40 C ATOM 845 OG1 THR A 54 18.001 1.382 8.052 1.00 0.63 O ATOM 846 CG2 THR A 54 17.773 -1.017 7.852 1.00 0.68 C ATOM 0 H THR A 54 15.428 2.252 7.135 1.00 0.28 H new ATOM 0 HA THR A 54 15.298 -0.527 7.949 1.00 0.31 H new ATOM 0 HB THR A 54 17.314 0.158 9.576 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.944 1.245 8.280 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.825 -1.135 8.112 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.210 -1.877 8.215 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.673 -0.948 6.769 1.00 0.68 H new ATOM 854 N GLY A 55 14.189 0.348 10.015 1.00 0.39 N ATOM 855 CA GLY A 55 13.463 0.892 11.152 1.00 0.44 C ATOM 856 C GLY A 55 11.965 0.644 11.083 1.00 0.42 C ATOM 857 O GLY A 55 11.270 0.760 12.092 1.00 0.76 O ATOM 0 H GLY A 55 14.003 -0.635 9.816 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.855 0.452 12.069 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.644 1.965 11.210 1.00 0.44 H new ATOM 861 N GLN A 56 11.458 0.322 9.898 1.00 0.34 N ATOM 862 CA GLN A 56 10.037 0.050 9.728 1.00 0.30 C ATOM 863 C GLN A 56 9.838 -1.256 8.966 1.00 0.27 C ATOM 864 O GLN A 56 10.770 -1.767 8.338 1.00 0.38 O ATOM 865 CB GLN A 56 9.358 1.211 8.997 1.00 0.37 C ATOM 866 CG GLN A 56 9.321 2.503 9.798 1.00 0.49 C ATOM 867 CD GLN A 56 8.378 2.430 10.986 1.00 0.76 C ATOM 868 OE1 GLN A 56 7.213 2.806 10.889 1.00 1.02 O ATOM 869 NE2 GLN A 56 8.876 1.944 12.114 1.00 0.89 N ATOM 0 H GLN A 56 12.009 0.243 9.043 1.00 0.34 H new ATOM 0 HA GLN A 56 9.578 -0.051 10.712 1.00 0.30 H new ATOM 0 HB2 GLN A 56 9.880 1.392 8.058 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.338 0.922 8.744 1.00 0.37 H new ATOM 0 HG2 GLN A 56 10.326 2.736 10.151 1.00 0.49 H new ATOM 0 HG3 GLN A 56 9.015 3.321 9.146 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.850 1.642 12.153 1.00 0.89 H new ATOM 0 HE22 GLN A 56 8.286 1.872 12.943 1.00 0.89 H new ATOM 878 N TYR A 57 8.628 -1.797 9.032 1.00 0.24 N ATOM 879 CA TYR A 57 8.308 -3.051 8.364 1.00 0.23 C ATOM 880 C TYR A 57 6.838 -3.060 7.955 1.00 0.25 C ATOM 881 O TYR A 57 5.950 -3.211 8.794 1.00 0.42 O ATOM 882 CB TYR A 57 8.618 -4.215 9.304 1.00 0.26 C ATOM 883 CG TYR A 57 8.611 -5.580 8.653 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.441 -6.322 8.568 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.780 -6.139 8.151 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.435 -7.578 7.996 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.782 -7.397 7.581 1.00 0.73 C ATOM 888 CZ TYR A 57 8.608 -8.112 7.506 1.00 0.79 C ATOM 889 OH TYR A 57 8.611 -9.375 6.953 1.00 1.03 O ATOM 0 H TYR A 57 7.849 -1.384 9.544 1.00 0.24 H new ATOM 0 HA TYR A 57 8.913 -3.155 7.463 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.597 -4.048 9.754 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.890 -4.212 10.115 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.521 -5.910 8.956 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.703 -5.580 8.208 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.515 -8.140 7.932 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.699 -7.817 7.196 1.00 0.73 H new ATOM 0 HH TYR A 57 7.747 -9.546 6.523 1.00 1.03 H new ATOM 899 N LEU A 58 6.588 -2.885 6.664 1.00 0.20 N ATOM 900 CA LEU A 58 5.225 -2.849 6.146 1.00 0.22 C ATOM 901 C LEU A 58 4.567 -4.223 6.231 1.00 0.23 C ATOM 902 O LEU A 58 5.052 -5.194 5.642 1.00 0.30 O ATOM 903 CB LEU A 58 5.218 -2.346 4.695 1.00 0.27 C ATOM 904 CG LEU A 58 3.898 -1.725 4.216 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.788 -2.769 4.165 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.500 -0.559 5.110 1.00 0.38 C ATOM 0 H LEU A 58 7.311 -2.766 5.955 1.00 0.20 H new ATOM 0 HA LEU A 58 4.649 -2.159 6.763 1.00 0.22 H new ATOM 0 HB2 LEU A 58 6.010 -1.605 4.582 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.466 -3.180 4.039 1.00 0.27 H new ATOM 0 HG LEU A 58 4.050 -1.348 3.205 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.865 -2.302 3.823 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.069 -3.565 3.476 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.636 -3.187 5.160 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.562 -0.132 4.755 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.373 -0.912 6.133 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.279 0.203 5.083 1.00 0.38 H new ATOM 918 N ALA A 59 3.469 -4.294 6.973 1.00 0.23 N ATOM 919 CA ALA A 59 2.727 -5.535 7.137 1.00 0.27 C ATOM 920 C ALA A 59 1.225 -5.258 7.176 1.00 0.24 C ATOM 921 O ALA A 59 0.793 -4.168 7.569 1.00 0.26 O ATOM 922 CB ALA A 59 3.170 -6.259 8.400 1.00 0.35 C ATOM 0 H ALA A 59 3.071 -3.499 7.474 1.00 0.23 H new ATOM 0 HA ALA A 59 2.937 -6.178 6.282 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.604 -7.185 8.506 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.233 -6.489 8.333 1.00 0.35 H new ATOM 0 HB3 ALA A 59 2.990 -5.622 9.266 1.00 0.35 H new ATOM 928 N MET A 60 0.433 -6.238 6.757 1.00 0.28 N ATOM 929 CA MET A 60 -1.017 -6.094 6.744 1.00 0.30 C ATOM 930 C MET A 60 -1.656 -6.992 7.796 1.00 0.26 C ATOM 931 O MET A 60 -1.295 -8.164 7.927 1.00 0.44 O ATOM 932 CB MET A 60 -1.580 -6.425 5.357 1.00 0.40 C ATOM 933 CG MET A 60 -1.863 -7.907 5.137 1.00 0.73 C ATOM 934 SD MET A 60 -2.559 -8.254 3.509 1.00 0.93 S ATOM 935 CE MET A 60 -3.836 -7.000 3.400 1.00 1.97 C ATOM 0 H MET A 60 0.771 -7.140 6.422 1.00 0.28 H new ATOM 0 HA MET A 60 -1.256 -5.057 6.980 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.503 -5.864 5.208 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.874 -6.085 4.599 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.938 -8.470 5.259 1.00 0.73 H new ATOM 0 HG3 MET A 60 -2.553 -8.258 5.904 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.559 -7.282 2.635 1.00 1.97 H new ATOM 0 HE2 MET A 60 -4.342 -6.911 4.362 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.385 -6.043 3.137 1.00 1.97 H new ATOM 945 N ASP A 61 -2.598 -6.438 8.541 1.00 0.30 N ATOM 946 CA ASP A 61 -3.295 -7.190 9.573 1.00 0.31 C ATOM 947 C ASP A 61 -4.340 -8.104 8.947 1.00 0.29 C ATOM 948 O ASP A 61 -5.061 -7.699 8.028 1.00 0.34 O ATOM 949 CB ASP A 61 -3.957 -6.246 10.575 1.00 0.42 C ATOM 950 CG ASP A 61 -4.679 -6.989 11.681 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.855 -7.352 11.490 1.00 0.96 O ATOM 952 OD2 ASP A 61 -4.077 -7.203 12.751 1.00 0.94 O ATOM 0 H ASP A 61 -2.899 -5.468 8.451 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.564 -7.800 10.103 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.199 -5.596 11.013 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.664 -5.603 10.051 1.00 0.42 H new ATOM 957 N THR A 62 -4.420 -9.327 9.456 1.00 0.37 N ATOM 958 CA THR A 62 -5.352 -10.328 8.953 1.00 0.44 C ATOM 959 C THR A 62 -6.781 -9.787 8.848 1.00 0.41 C ATOM 960 O THR A 62 -7.490 -10.085 7.883 1.00 0.50 O ATOM 961 CB THR A 62 -5.337 -11.596 9.840 1.00 0.59 C ATOM 962 OG1 THR A 62 -6.116 -12.646 9.242 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.867 -11.302 11.237 1.00 0.74 C ATOM 0 H THR A 62 -3.840 -9.653 10.229 1.00 0.37 H new ATOM 0 HA THR A 62 -5.017 -10.589 7.949 1.00 0.44 H new ATOM 0 HB THR A 62 -4.300 -11.921 9.923 1.00 0.59 H new ATOM 0 HG1 THR A 62 -6.092 -13.439 9.817 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.843 -12.213 11.834 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.245 -10.542 11.710 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.893 -10.940 11.168 1.00 0.74 H new ATOM 971 N ASP A 63 -7.194 -8.976 9.818 1.00 0.36 N ATOM 972 CA ASP A 63 -8.544 -8.423 9.822 1.00 0.41 C ATOM 973 C ASP A 63 -8.743 -7.470 8.645 1.00 0.40 C ATOM 974 O ASP A 63 -9.757 -7.541 7.950 1.00 0.65 O ATOM 975 CB ASP A 63 -8.836 -7.714 11.146 1.00 0.47 C ATOM 976 CG ASP A 63 -10.134 -6.937 11.116 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.196 -7.531 11.406 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.091 -5.728 10.818 1.00 0.75 O ATOM 0 H ASP A 63 -6.616 -8.688 10.608 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.248 -9.248 9.715 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.877 -8.452 11.948 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.016 -7.035 11.379 1.00 0.47 H new ATOM 983 N GLY A 64 -7.769 -6.589 8.411 1.00 0.45 N ATOM 984 CA GLY A 64 -7.873 -5.655 7.301 1.00 0.50 C ATOM 985 C GLY A 64 -7.291 -4.288 7.600 1.00 0.43 C ATOM 986 O GLY A 64 -7.950 -3.271 7.368 1.00 0.64 O ATOM 0 H GLY A 64 -6.917 -6.506 8.966 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.363 -6.076 6.434 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.923 -5.542 7.030 1.00 0.50 H new ATOM 990 N LEU A 65 -6.054 -4.259 8.090 1.00 0.40 N ATOM 991 CA LEU A 65 -5.377 -3.006 8.417 1.00 0.34 C ATOM 992 C LEU A 65 -3.916 -3.072 7.979 1.00 0.33 C ATOM 993 O LEU A 65 -3.283 -4.120 8.085 1.00 0.60 O ATOM 994 CB LEU A 65 -5.464 -2.738 9.927 1.00 0.37 C ATOM 995 CG LEU A 65 -5.662 -1.273 10.343 1.00 0.71 C ATOM 996 CD1 LEU A 65 -4.459 -0.425 9.960 1.00 1.23 C ATOM 997 CD2 LEU A 65 -6.932 -0.707 9.723 1.00 1.16 C ATOM 0 H LEU A 65 -5.497 -5.094 8.270 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.868 -2.190 7.886 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.289 -3.324 10.332 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.551 -3.107 10.394 1.00 0.37 H new ATOM 0 HG LEU A 65 -5.762 -1.244 11.428 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -4.629 0.607 10.267 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -3.569 -0.810 10.458 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.316 -0.463 8.880 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.055 0.332 10.029 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -6.861 -0.759 8.637 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -7.791 -1.288 10.058 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.393 -1.966 7.464 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.006 -1.913 7.012 1.00 0.36 C ATOM 1011 C LEU A 66 -1.150 -1.158 8.028 1.00 0.34 C ATOM 1012 O LEU A 66 -1.493 -0.044 8.435 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.907 -1.243 5.633 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.529 -2.025 4.469 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.047 -2.030 4.571 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.083 -1.439 3.135 1.00 0.61 C ATOM 0 H LEU A 66 -3.908 -1.093 7.348 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.634 -2.934 6.924 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.387 -0.266 5.688 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.855 -1.069 5.409 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.182 -3.057 4.526 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.466 -2.590 3.735 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.347 -2.498 5.508 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.417 -1.005 4.543 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.533 -2.006 2.320 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.399 -0.398 3.071 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.997 -1.494 3.058 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.043 -1.771 8.440 1.00 0.28 N ATOM 1029 CA TYR A 67 0.856 -1.156 9.413 1.00 0.33 C ATOM 1030 C TYR A 67 2.315 -1.321 8.990 1.00 0.30 C ATOM 1031 O TYR A 67 2.635 -2.174 8.159 1.00 0.32 O ATOM 1032 CB TYR A 67 0.631 -1.751 10.810 1.00 0.43 C ATOM 1033 CG TYR A 67 0.807 -3.255 10.894 1.00 0.41 C ATOM 1034 CD1 TYR A 67 -0.210 -4.118 10.506 1.00 0.45 C ATOM 1035 CD2 TYR A 67 1.990 -3.808 11.371 1.00 0.55 C ATOM 1036 CE1 TYR A 67 -0.054 -5.488 10.589 1.00 0.55 C ATOM 1037 CE2 TYR A 67 2.153 -5.176 11.456 1.00 0.65 C ATOM 1038 CZ TYR A 67 1.129 -6.012 11.064 1.00 0.63 C ATOM 1039 OH TYR A 67 1.284 -7.378 11.146 1.00 0.80 O ATOM 0 H TYR A 67 0.253 -2.692 8.116 1.00 0.28 H new ATOM 0 HA TYR A 67 0.632 -0.090 9.451 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.323 -1.278 11.507 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.377 -1.498 11.140 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -1.138 -3.711 10.133 1.00 0.45 H new ATOM 0 HD2 TYR A 67 2.794 -3.157 11.680 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -0.855 -6.145 10.283 1.00 0.55 H new ATOM 0 HE2 TYR A 67 3.079 -5.590 11.828 1.00 0.65 H new ATOM 0 HH TYR A 67 2.174 -7.586 11.499 1.00 0.80 H new ATOM 1049 N GLY A 68 3.189 -0.494 9.557 1.00 0.34 N ATOM 1050 CA GLY A 68 4.605 -0.554 9.227 1.00 0.38 C ATOM 1051 C GLY A 68 5.478 -0.921 10.416 1.00 0.52 C ATOM 1052 O GLY A 68 6.691 -0.695 10.395 1.00 1.27 O ATOM 0 H GLY A 68 2.942 0.220 10.242 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.756 -1.285 8.433 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.922 0.412 8.835 1.00 0.38 H new ATOM 1056 N SER A 69 4.869 -1.486 11.453 1.00 0.36 N ATOM 1057 CA SER A 69 5.599 -1.881 12.648 1.00 0.39 C ATOM 1058 C SER A 69 6.591 -3.000 12.325 1.00 0.32 C ATOM 1059 O SER A 69 6.265 -3.938 11.600 1.00 0.37 O ATOM 1060 CB SER A 69 4.619 -2.324 13.733 1.00 0.51 C ATOM 1061 OG SER A 69 3.516 -1.431 13.806 1.00 1.23 O ATOM 0 H SER A 69 3.868 -1.680 11.488 1.00 0.36 H new ATOM 0 HA SER A 69 6.164 -1.025 13.016 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.264 -3.332 13.520 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.127 -2.362 14.696 1.00 0.51 H new ATOM 0 HG SER A 69 3.833 -0.540 14.064 1.00 1.23 H new ATOM 1067 N GLN A 70 7.803 -2.887 12.860 1.00 0.31 N ATOM 1068 CA GLN A 70 8.847 -3.876 12.618 1.00 0.33 C ATOM 1069 C GLN A 70 8.436 -5.257 13.134 1.00 0.32 C ATOM 1070 O GLN A 70 8.586 -5.563 14.317 1.00 0.45 O ATOM 1071 CB GLN A 70 10.166 -3.432 13.268 1.00 0.43 C ATOM 1072 CG GLN A 70 11.385 -3.651 12.382 1.00 0.61 C ATOM 1073 CD GLN A 70 11.659 -5.119 12.106 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.388 -5.980 12.943 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.191 -5.417 10.929 1.00 1.29 N ATOM 0 H GLN A 70 8.087 -2.117 13.466 1.00 0.31 H new ATOM 0 HA GLN A 70 8.993 -3.952 11.541 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.098 -2.375 13.523 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.303 -3.977 14.202 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.239 -3.130 11.436 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.259 -3.207 12.859 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.401 -4.675 10.262 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.390 -6.389 10.691 1.00 1.29 H new ATOM 1084 N THR A 71 7.882 -6.068 12.242 1.00 0.29 N ATOM 1085 CA THR A 71 7.460 -7.420 12.577 1.00 0.33 C ATOM 1086 C THR A 71 7.667 -8.359 11.382 1.00 0.30 C ATOM 1087 O THR A 71 6.773 -8.526 10.552 1.00 0.38 O ATOM 1088 CB THR A 71 5.976 -7.453 13.011 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.741 -6.504 14.070 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.583 -8.845 13.478 1.00 0.58 C ATOM 0 H THR A 71 7.713 -5.808 11.270 1.00 0.29 H new ATOM 0 HA THR A 71 8.073 -7.759 13.412 1.00 0.33 H new ATOM 0 HB THR A 71 5.366 -7.185 12.148 1.00 0.43 H new ATOM 0 HG1 THR A 71 4.798 -6.535 14.333 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.535 -8.846 13.779 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.728 -9.556 12.665 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.204 -9.133 14.326 1.00 0.58 H new ATOM 1098 N PRO A 72 8.862 -8.969 11.275 1.00 0.30 N ATOM 1099 CA PRO A 72 9.196 -9.888 10.178 1.00 0.33 C ATOM 1100 C PRO A 72 8.144 -10.980 9.990 1.00 0.31 C ATOM 1101 O PRO A 72 7.805 -11.697 10.938 1.00 0.44 O ATOM 1102 CB PRO A 72 10.538 -10.503 10.601 1.00 0.44 C ATOM 1103 CG PRO A 72 10.727 -10.115 12.033 1.00 0.50 C ATOM 1104 CD PRO A 72 9.981 -8.827 12.215 1.00 0.41 C ATOM 0 HA PRO A 72 9.241 -9.367 9.222 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.525 -11.587 10.487 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.353 -10.127 9.983 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.342 -10.886 12.700 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.784 -9.990 12.267 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.635 -8.701 13.241 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.601 -7.962 11.979 1.00 0.41 H new ATOM 1112 N ASN A 73 7.628 -11.102 8.768 1.00 0.28 N ATOM 1113 CA ASN A 73 6.613 -12.107 8.460 1.00 0.31 C ATOM 1114 C ASN A 73 6.326 -12.163 6.954 1.00 0.28 C ATOM 1115 O ASN A 73 6.872 -11.376 6.177 1.00 0.31 O ATOM 1116 CB ASN A 73 5.322 -11.814 9.231 1.00 0.38 C ATOM 1117 CG ASN A 73 4.500 -13.066 9.473 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.765 -13.516 8.593 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.621 -13.644 10.659 1.00 1.26 N ATOM 0 H ASN A 73 7.896 -10.518 7.976 1.00 0.28 H new ATOM 0 HA ASN A 73 6.999 -13.078 8.769 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.569 -11.354 10.188 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.725 -11.092 8.674 1.00 0.38 H new ATOM 0 HD21 ASN A 73 4.095 -14.492 10.869 1.00 1.26 H new ATOM 0 HD22 ASN A 73 5.240 -13.241 11.362 1.00 1.26 H new ATOM 1126 N GLU A 74 5.450 -13.086 6.557 1.00 0.28 N ATOM 1127 CA GLU A 74 5.083 -13.273 5.152 1.00 0.30 C ATOM 1128 C GLU A 74 4.031 -12.259 4.697 1.00 0.28 C ATOM 1129 O GLU A 74 3.861 -12.025 3.499 1.00 0.31 O ATOM 1130 CB GLU A 74 4.519 -14.681 4.946 1.00 0.37 C ATOM 1131 CG GLU A 74 5.339 -15.788 5.584 1.00 0.45 C ATOM 1132 CD GLU A 74 4.569 -17.086 5.669 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.796 -17.261 6.633 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.723 -17.934 4.767 1.00 0.79 O ATOM 0 H GLU A 74 4.976 -13.723 7.197 1.00 0.28 H new ATOM 0 HA GLU A 74 5.987 -13.128 4.560 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.508 -14.716 5.351 1.00 0.37 H new ATOM 0 HB3 GLU A 74 4.441 -14.874 3.876 1.00 0.37 H new ATOM 0 HG2 GLU A 74 6.250 -15.944 5.006 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.645 -15.482 6.584 1.00 0.45 H new ATOM 1141 N GLU A 75 3.322 -11.663 5.654 1.00 0.28 N ATOM 1142 CA GLU A 75 2.267 -10.691 5.354 1.00 0.30 C ATOM 1143 C GLU A 75 2.709 -9.632 4.332 1.00 0.34 C ATOM 1144 O GLU A 75 1.871 -9.050 3.647 1.00 0.60 O ATOM 1145 CB GLU A 75 1.784 -10.013 6.640 1.00 0.37 C ATOM 1146 CG GLU A 75 1.391 -10.996 7.738 1.00 0.49 C ATOM 1147 CD GLU A 75 0.594 -12.178 7.211 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.627 -12.030 6.983 1.00 1.26 O ATOM 1149 OE2 GLU A 75 1.183 -13.262 7.026 1.00 1.21 O ATOM 0 H GLU A 75 3.459 -11.836 6.650 1.00 0.28 H new ATOM 0 HA GLU A 75 1.445 -11.247 4.904 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.572 -9.359 7.014 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.928 -9.380 6.407 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.291 -11.362 8.232 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.803 -10.474 8.493 1.00 0.49 H new ATOM 1156 N CYS A 76 4.015 -9.386 4.230 1.00 0.25 N ATOM 1157 CA CYS A 76 4.540 -8.399 3.279 1.00 0.28 C ATOM 1158 C CYS A 76 4.396 -8.865 1.823 1.00 0.28 C ATOM 1159 O CYS A 76 4.570 -8.070 0.897 1.00 0.36 O ATOM 1160 CB CYS A 76 6.010 -8.104 3.577 1.00 0.31 C ATOM 1161 SG CYS A 76 6.327 -7.613 5.283 1.00 0.49 S ATOM 0 H CYS A 76 4.728 -9.853 4.790 1.00 0.25 H new ATOM 0 HA CYS A 76 3.949 -7.491 3.401 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.602 -8.991 3.349 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.353 -7.312 2.912 1.00 0.31 H new ATOM 0 HG CYS A 76 5.539 -6.630 5.605 1.00 0.49 H new ATOM 1167 N LEU A 77 4.100 -10.149 1.616 1.00 0.27 N ATOM 1168 CA LEU A 77 3.941 -10.681 0.267 1.00 0.31 C ATOM 1169 C LEU A 77 2.663 -10.144 -0.377 1.00 0.25 C ATOM 1170 O LEU A 77 1.570 -10.693 -0.183 1.00 0.31 O ATOM 1171 CB LEU A 77 3.930 -12.215 0.282 1.00 0.41 C ATOM 1172 CG LEU A 77 5.312 -12.882 0.279 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.075 -12.529 -0.989 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.113 -12.481 1.509 1.00 0.58 C ATOM 0 H LEU A 77 3.967 -10.833 2.361 1.00 0.27 H new ATOM 0 HA LEU A 77 4.793 -10.352 -0.328 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.386 -12.549 1.165 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.374 -12.566 -0.587 1.00 0.41 H new ATOM 0 HG LEU A 77 5.164 -13.962 0.306 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.052 -13.012 -0.972 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.515 -12.874 -1.858 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.205 -11.448 -1.046 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.088 -12.967 1.483 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.247 -11.399 1.519 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.578 -12.789 2.408 1.00 0.58 H new ATOM 1186 N PHE A 78 2.805 -9.061 -1.131 1.00 0.21 N ATOM 1187 CA PHE A 78 1.673 -8.439 -1.806 1.00 0.21 C ATOM 1188 C PHE A 78 1.802 -8.564 -3.319 1.00 0.19 C ATOM 1189 O PHE A 78 2.882 -8.855 -3.843 1.00 0.23 O ATOM 1190 CB PHE A 78 1.567 -6.958 -1.428 1.00 0.26 C ATOM 1191 CG PHE A 78 1.471 -6.701 0.051 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.368 -7.126 0.775 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.481 -6.023 0.712 1.00 0.32 C ATOM 1194 CE1 PHE A 78 0.278 -6.880 2.131 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.398 -5.776 2.069 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.294 -6.205 2.779 1.00 0.45 C ATOM 0 H PHE A 78 3.697 -8.594 -1.291 1.00 0.21 H new ATOM 0 HA PHE A 78 0.771 -8.960 -1.484 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.437 -6.432 -1.820 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.690 -6.532 -1.916 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.429 -7.655 0.274 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.345 -5.683 0.160 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.587 -7.215 2.685 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.194 -5.249 2.573 1.00 0.38 H new ATOM 0 HZ PHE A 78 1.225 -6.013 3.840 1.00 0.45 H new ATOM 1206 N LEU A 79 0.693 -8.354 -4.012 1.00 0.21 N ATOM 1207 CA LEU A 79 0.656 -8.413 -5.468 1.00 0.21 C ATOM 1208 C LEU A 79 0.311 -7.030 -6.017 1.00 0.20 C ATOM 1209 O LEU A 79 -0.748 -6.479 -5.691 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.389 -9.442 -5.920 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.206 -10.022 -7.327 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.219 -8.922 -8.377 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.078 -10.832 -7.413 1.00 0.35 C ATOM 0 H LEU A 79 -0.207 -8.138 -3.583 1.00 0.21 H new ATOM 0 HA LEU A 79 1.631 -8.718 -5.849 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.388 -10.267 -5.207 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.373 -8.976 -5.867 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.045 -10.688 -7.527 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -0.087 -9.361 -9.366 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.172 -8.394 -8.339 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.593 -8.222 -8.180 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.188 -11.234 -8.420 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.929 -10.191 -7.184 1.00 0.35 H new ATOM 0 HD23 LEU A 79 1.039 -11.653 -6.697 1.00 0.35 H new ATOM 1225 N GLU A 80 1.209 -6.467 -6.825 1.00 0.21 N ATOM 1226 CA GLU A 80 1.002 -5.145 -7.411 1.00 0.22 C ATOM 1227 C GLU A 80 0.446 -5.272 -8.830 1.00 0.22 C ATOM 1228 O GLU A 80 1.046 -5.923 -9.692 1.00 0.35 O ATOM 1229 CB GLU A 80 2.317 -4.349 -7.417 1.00 0.28 C ATOM 1230 CG GLU A 80 2.184 -2.925 -7.948 1.00 0.33 C ATOM 1231 CD GLU A 80 3.382 -2.040 -7.613 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.535 -2.469 -7.823 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.172 -0.893 -7.150 1.00 0.45 O ATOM 0 H GLU A 80 2.090 -6.909 -7.089 1.00 0.21 H new ATOM 0 HA GLU A 80 0.276 -4.606 -6.803 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.710 -4.311 -6.401 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.049 -4.883 -8.022 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.058 -2.959 -9.030 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.281 -2.474 -7.536 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.712 -4.664 -9.059 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.360 -4.698 -10.364 1.00 0.23 C ATOM 1242 C ARG A 81 -1.466 -3.290 -10.939 1.00 0.20 C ATOM 1243 O ARG A 81 -2.400 -2.552 -10.625 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.749 -5.333 -10.249 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.517 -5.363 -11.559 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.897 -5.973 -11.381 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.681 -5.919 -12.616 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.498 -6.891 -13.036 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.628 -8.022 -12.342 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -7.180 -6.735 -14.166 1.00 1.02 N ATOM 0 H ARG A 81 -1.225 -4.138 -8.351 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.755 -5.303 -11.039 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.643 -6.352 -9.877 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.330 -4.782 -9.510 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.613 -4.350 -11.949 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.957 -5.937 -12.297 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.797 -7.010 -11.060 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.429 -5.444 -10.590 1.00 0.50 H new ATOM 0 HE ARG A 81 -5.599 -5.084 -13.195 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.101 -8.154 -11.479 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.255 -8.755 -12.674 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -7.079 -5.877 -14.708 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.804 -7.473 -14.491 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.496 -2.916 -11.769 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.479 -1.594 -12.379 1.00 0.24 C ATOM 1266 C LEU A 82 -1.078 -1.634 -13.778 1.00 0.27 C ATOM 1267 O LEU A 82 -0.495 -2.215 -14.694 1.00 0.40 O ATOM 1268 CB LEU A 82 0.953 -1.050 -12.438 1.00 0.32 C ATOM 1269 CG LEU A 82 1.103 0.331 -13.084 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.370 1.388 -12.274 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.572 0.698 -13.226 1.00 0.54 C ATOM 0 H LEU A 82 0.288 -3.512 -12.033 1.00 0.22 H new ATOM 0 HA LEU A 82 -1.085 -0.930 -11.762 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.348 -1.003 -11.423 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.571 -1.759 -12.988 1.00 0.32 H new ATOM 0 HG LEU A 82 0.658 0.290 -14.078 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.490 2.360 -12.751 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.690 1.137 -12.223 1.00 0.43 H new ATOM 0 HD13 LEU A 82 0.783 1.425 -11.266 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.658 1.682 -13.687 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.039 0.716 -12.241 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.073 -0.041 -13.852 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.247 -1.016 -13.936 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.921 -0.972 -15.231 1.00 0.36 C ATOM 1285 C GLU A 83 -2.225 0.016 -16.176 1.00 0.44 C ATOM 1286 O GLU A 83 -2.481 0.010 -17.377 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.397 -0.580 -15.064 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.213 -0.752 -16.336 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.624 -0.213 -16.218 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.465 -0.873 -15.577 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -6.902 0.865 -16.783 1.00 1.24 O ATOM 0 H GLU A 83 -2.746 -0.540 -13.185 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.869 -1.970 -15.667 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.839 -1.185 -14.272 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.455 0.459 -14.741 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.705 -0.246 -17.157 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.256 -1.811 -16.592 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.358 0.870 -15.612 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.608 1.878 -16.372 1.00 0.38 C ATOM 1300 C GLU A 84 -1.399 3.184 -16.487 1.00 0.31 C ATOM 1301 O GLU A 84 -0.813 4.260 -16.618 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.186 1.354 -17.760 1.00 0.50 C ATOM 1303 CG GLU A 84 -0.996 1.909 -18.927 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.436 1.490 -20.268 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.783 0.395 -20.751 1.00 1.14 O ATOM 1306 OE2 GLU A 84 0.355 2.256 -20.851 1.00 1.23 O ATOM 0 H GLU A 84 -1.157 0.880 -14.612 1.00 0.37 H new ATOM 0 HA GLU A 84 0.306 2.088 -15.817 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.865 1.594 -17.919 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.269 0.267 -17.763 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -2.028 1.568 -18.844 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -1.015 2.997 -18.868 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.724 3.093 -16.429 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.582 4.274 -16.507 1.00 0.37 C ATOM 1315 C ASN A 85 -3.530 5.053 -15.189 1.00 0.29 C ATOM 1316 O ASN A 85 -4.529 5.163 -14.476 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.025 3.858 -16.833 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.000 5.027 -16.833 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.648 6.153 -17.192 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.234 4.766 -16.427 1.00 0.79 N ATOM 0 H ASN A 85 -3.229 2.213 -16.328 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.220 4.922 -17.305 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.045 3.376 -17.810 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.356 3.117 -16.105 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -7.931 5.510 -16.404 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.487 3.821 -16.138 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.342 5.568 -14.862 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.109 6.339 -13.635 1.00 0.33 C ATOM 1329 C HIS A 86 -2.869 5.764 -12.436 1.00 0.30 C ATOM 1330 O HIS A 86 -3.430 6.508 -11.630 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.467 7.821 -13.840 1.00 0.45 C ATOM 1332 CG HIS A 86 -3.879 8.063 -14.289 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.065 7.820 -13.682 1.00 0.69 N flip ATOM 1334 CD2 HIS A 86 -4.187 8.624 -15.508 1.00 0.58 C flip ATOM 1335 CE1 HIS A 86 -6.053 8.236 -14.538 1.00 0.78 C flip ATOM 1336 NE2 HIS A 86 -5.495 8.715 -15.632 1.00 0.71 N flip ATOM 0 H HIS A 86 -1.510 5.462 -15.443 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.045 6.264 -13.412 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.300 8.355 -12.905 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -1.786 8.248 -14.577 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -5.199 7.405 -12.760 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -3.467 8.941 -16.248 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.114 8.180 -14.347 1.00 0.78 H new ATOM 1345 N TYR A 87 -2.878 4.439 -12.319 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.554 3.772 -11.212 1.00 0.34 C ATOM 1347 C TYR A 87 -3.210 2.283 -11.191 1.00 0.24 C ATOM 1348 O TYR A 87 -2.951 1.679 -12.239 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.079 3.992 -11.289 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.878 2.808 -11.798 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.141 1.722 -10.973 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.378 2.779 -13.096 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.872 0.641 -11.423 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -7.110 1.703 -13.551 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.355 0.636 -12.712 1.00 0.95 C ATOM 1356 OH TYR A 87 -8.084 -0.439 -13.164 1.00 1.27 O ATOM 0 H TYR A 87 -2.424 3.806 -12.978 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.202 4.211 -10.279 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.442 4.255 -10.296 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.274 4.847 -11.936 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.766 1.723 -9.960 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.190 3.612 -13.757 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -7.064 -0.196 -10.768 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.491 1.696 -14.562 1.00 1.03 H new ATOM 0 HH TYR A 87 -8.173 -0.387 -14.139 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.194 1.698 -9.998 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.875 0.281 -9.838 1.00 0.20 C ATOM 1368 C ASN A 88 -3.682 -0.335 -8.697 1.00 0.20 C ATOM 1369 O ASN A 88 -4.367 0.376 -7.955 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.372 0.110 -9.573 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.027 0.137 -8.094 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.090 1.315 -7.494 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.742 -0.894 -7.495 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.399 2.184 -9.125 1.00 0.24 H new ATOM 0 HA ASN A 88 -3.139 -0.237 -10.760 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -1.037 -0.835 -10.002 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.825 0.903 -10.083 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.705 -1.781 -7.996 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.542 -0.864 -6.495 1.00 0.24 H new ATOM 1380 N THR A 89 -3.602 -1.655 -8.572 1.00 0.23 N ATOM 1381 CA THR A 89 -4.308 -2.378 -7.524 1.00 0.26 C ATOM 1382 C THR A 89 -3.342 -3.254 -6.725 1.00 0.21 C ATOM 1383 O THR A 89 -2.372 -3.780 -7.276 1.00 0.25 O ATOM 1384 CB THR A 89 -5.432 -3.263 -8.106 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.453 -3.182 -9.544 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.783 -2.843 -7.544 1.00 0.72 C ATOM 0 H THR A 89 -3.050 -2.249 -9.190 1.00 0.23 H new ATOM 0 HA THR A 89 -4.754 -1.633 -6.865 1.00 0.26 H new ATOM 0 HB THR A 89 -5.233 -4.295 -7.818 1.00 0.34 H new ATOM 0 HG1 THR A 89 -6.329 -3.472 -9.875 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.565 -3.476 -7.964 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.774 -2.948 -6.459 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.979 -1.803 -7.806 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.609 -3.403 -5.429 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.766 -4.213 -4.556 1.00 0.21 C ATOM 1396 C TYR A 90 -3.583 -5.307 -3.878 1.00 0.23 C ATOM 1397 O TYR A 90 -4.654 -5.036 -3.325 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.114 -3.345 -3.478 1.00 0.27 C ATOM 1399 CG TYR A 90 -1.084 -2.373 -4.003 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.182 -2.807 -4.374 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.370 -1.018 -4.112 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.134 -1.920 -4.840 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.426 -0.125 -4.579 1.00 0.31 C ATOM 1404 CZ TYR A 90 0.824 -0.578 -4.942 1.00 0.31 C ATOM 1405 OH TYR A 90 1.768 0.315 -5.404 1.00 0.36 O ATOM 0 H TYR A 90 -4.405 -2.971 -4.960 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.993 -4.668 -5.175 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.892 -2.786 -2.958 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.641 -3.995 -2.741 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.427 -3.856 -4.297 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.347 -0.657 -3.827 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.114 -2.274 -5.123 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.666 0.925 -4.660 1.00 0.31 H new ATOM 0 HH TYR A 90 2.522 -0.177 -5.791 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.083 -6.538 -3.920 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.764 -7.661 -3.283 1.00 0.26 C ATOM 1417 C ILE A 91 -2.788 -8.497 -2.460 1.00 0.27 C ATOM 1418 O ILE A 91 -1.584 -8.515 -2.735 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.493 -8.563 -4.304 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.518 -9.114 -5.347 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.618 -7.792 -4.976 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.143 -10.121 -6.290 1.00 0.31 C ATOM 0 H ILE A 91 -2.210 -6.783 -4.387 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.516 -7.231 -2.621 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.921 -9.410 -3.768 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.115 -8.285 -5.929 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.677 -9.582 -4.835 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.124 -8.438 -5.693 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.331 -7.458 -4.222 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.206 -6.926 -5.495 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.393 -10.468 -7.001 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.521 -10.969 -5.719 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -4.966 -9.652 -6.830 1.00 0.31 H new ATOM 1434 N SER A 92 -3.317 -9.183 -1.454 1.00 0.33 N ATOM 1435 CA SER A 92 -2.509 -10.013 -0.567 1.00 0.37 C ATOM 1436 C SER A 92 -2.127 -11.336 -1.236 1.00 0.31 C ATOM 1437 O SER A 92 -2.995 -12.138 -1.574 1.00 0.44 O ATOM 1438 CB SER A 92 -3.288 -10.291 0.722 1.00 0.50 C ATOM 1439 OG SER A 92 -4.112 -9.191 1.067 1.00 0.82 O ATOM 0 H SER A 92 -4.312 -9.180 -1.230 1.00 0.33 H new ATOM 0 HA SER A 92 -1.590 -9.474 -0.337 1.00 0.37 H new ATOM 0 HB2 SER A 92 -3.901 -11.183 0.595 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.591 -10.496 1.535 1.00 0.50 H new ATOM 0 HG SER A 92 -4.008 -8.991 2.021 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.826 -11.564 -1.410 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.341 -12.793 -2.035 1.00 0.31 C ATOM 1447 C LYS A 93 -0.583 -13.990 -1.117 1.00 0.29 C ATOM 1448 O LYS A 93 -1.199 -14.980 -1.513 1.00 0.35 O ATOM 1449 CB LYS A 93 1.155 -12.665 -2.370 1.00 0.42 C ATOM 1450 CG LYS A 93 1.789 -13.933 -2.936 1.00 0.55 C ATOM 1451 CD LYS A 93 2.035 -14.977 -1.852 1.00 0.74 C ATOM 1452 CE LYS A 93 3.477 -15.461 -1.841 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.850 -16.146 -3.104 1.00 0.80 N ATOM 0 H LYS A 93 -0.091 -10.916 -1.128 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.892 -12.954 -2.962 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.285 -11.857 -3.090 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.693 -12.377 -1.467 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.139 -14.353 -3.704 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.733 -13.682 -3.420 1.00 0.55 H new ATOM 0 HD2 LYS A 93 1.788 -14.554 -0.879 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.369 -15.826 -2.009 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.142 -14.612 -1.680 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.623 -16.143 -1.003 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 4.356 -17.028 -2.884 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.990 -16.366 -3.647 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 4.465 -15.525 -3.667 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.110 -13.882 0.122 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.258 -14.960 1.101 1.00 0.31 C ATOM 1469 C LYS A 94 -1.727 -15.202 1.468 1.00 0.31 C ATOM 1470 O LYS A 94 -2.068 -16.248 2.022 1.00 0.56 O ATOM 1471 CB LYS A 94 0.552 -14.646 2.362 1.00 0.36 C ATOM 1472 CG LYS A 94 0.421 -15.702 3.447 1.00 0.55 C ATOM 1473 CD LYS A 94 1.320 -15.401 4.633 1.00 0.55 C ATOM 1474 CE LYS A 94 0.901 -16.194 5.857 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.635 -15.767 7.075 1.00 0.69 N ATOM 0 H LYS A 94 0.380 -13.059 0.474 1.00 0.28 H new ATOM 0 HA LYS A 94 0.124 -15.872 0.642 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.603 -14.542 2.092 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.229 -13.685 2.761 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.616 -15.755 3.780 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.675 -16.679 3.037 1.00 0.55 H new ATOM 0 HD2 LYS A 94 2.353 -15.639 4.379 1.00 0.55 H new ATOM 0 HD3 LYS A 94 1.284 -14.335 4.858 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.170 -16.073 6.018 1.00 0.63 H new ATOM 0 HE3 LYS A 94 1.079 -17.255 5.680 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 1.077 -16.007 7.919 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.552 -16.255 7.116 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.791 -14.739 7.044 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.592 -14.237 1.167 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.015 -14.365 1.471 1.00 0.28 C ATOM 1491 C HIS A 95 -4.842 -14.333 0.187 1.00 0.27 C ATOM 1492 O HIS A 95 -5.946 -13.788 0.164 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.468 -13.251 2.423 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.753 -13.253 3.738 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.039 -14.144 4.752 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.757 -12.463 4.207 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.249 -13.903 5.784 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.465 -12.888 5.477 1.00 0.50 N ATOM 0 H HIS A 95 -2.334 -13.360 0.714 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.173 -15.325 1.963 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.315 -12.287 1.938 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.539 -13.352 2.602 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.282 -11.650 3.679 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.246 -14.444 6.718 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.755 -12.484 6.087 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.302 -14.940 -0.872 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.966 -14.987 -2.174 1.00 0.35 C ATOM 1509 C ALA A 96 -6.439 -15.376 -2.050 1.00 0.34 C ATOM 1510 O ALA A 96 -7.279 -14.902 -2.818 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.241 -15.957 -3.100 1.00 0.44 C ATOM 0 H ALA A 96 -3.397 -15.410 -0.851 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.926 -13.984 -2.599 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.745 -15.983 -4.066 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.211 -15.628 -3.237 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.248 -16.954 -2.660 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.748 -16.242 -1.088 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.122 -16.684 -0.871 1.00 0.38 C ATOM 1519 C GLU A 97 -9.038 -15.499 -0.544 1.00 0.37 C ATOM 1520 O GLU A 97 -10.249 -15.562 -0.772 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.182 -17.717 0.258 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.277 -18.919 0.038 1.00 0.57 C ATOM 1523 CD GLU A 97 -7.457 -19.541 -1.332 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -8.487 -20.212 -1.554 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -6.571 -19.367 -2.191 1.00 0.93 O ATOM 0 H GLU A 97 -6.067 -16.650 -0.448 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.473 -17.146 -1.794 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.907 -17.233 1.195 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.210 -18.063 0.367 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.238 -18.614 0.161 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.482 -19.668 0.803 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.459 -14.423 -0.015 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.221 -13.234 0.346 1.00 0.38 C ATOM 1534 C LYS A 98 -8.630 -12.008 -0.344 1.00 0.37 C ATOM 1535 O LYS A 98 -8.070 -11.121 0.306 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.219 -13.041 1.871 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.623 -14.287 2.648 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.420 -14.108 4.147 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.579 -13.359 4.789 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.518 -13.408 6.277 1.00 0.89 N ATOM 0 H LYS A 98 -7.459 -14.352 0.173 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.252 -13.362 0.015 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.222 -12.734 2.188 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.899 -12.228 2.126 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.669 -14.517 2.448 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.037 -15.138 2.301 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -9.313 -15.085 4.618 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.492 -13.564 4.326 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.566 -12.320 4.459 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.521 -13.790 4.450 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.325 -12.886 6.675 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -10.556 -14.398 6.594 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -9.631 -12.974 6.603 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.757 -11.963 -1.668 1.00 0.40 N ATOM 1555 CA ASN A 99 -8.221 -10.850 -2.459 1.00 0.48 C ATOM 1556 C ASN A 99 -9.005 -9.554 -2.227 1.00 0.44 C ATOM 1557 O ASN A 99 -9.668 -9.039 -3.132 1.00 0.78 O ATOM 1558 CB ASN A 99 -8.201 -11.194 -3.958 1.00 0.64 C ATOM 1559 CG ASN A 99 -9.534 -11.712 -4.484 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.724 -12.920 -4.641 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -10.467 -10.812 -4.752 1.00 1.07 N ATOM 0 H ASN A 99 -9.226 -12.682 -2.219 1.00 0.40 H new ATOM 0 HA ASN A 99 -7.197 -10.688 -2.122 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -7.918 -10.305 -4.522 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -7.432 -11.945 -4.139 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -11.378 -11.110 -5.100 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -10.275 -9.820 -4.610 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.919 -9.021 -1.012 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.610 -7.785 -0.665 1.00 0.32 C ATOM 1570 C TRP A 100 -8.684 -6.583 -0.849 1.00 0.32 C ATOM 1571 O TRP A 100 -7.750 -6.379 -0.070 1.00 0.46 O ATOM 1572 CB TRP A 100 -10.128 -7.847 0.777 1.00 0.38 C ATOM 1573 CG TRP A 100 -11.322 -8.741 0.933 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -11.315 -10.100 1.062 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.697 -8.340 0.964 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.600 -10.570 1.175 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -13.467 -9.511 1.120 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -13.358 -7.109 0.882 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.857 -9.482 1.187 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.737 -7.085 0.950 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -15.473 -8.265 1.105 1.00 1.08 C ATOM 0 H TRP A 100 -8.376 -9.427 -0.250 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.463 -7.668 -1.334 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.329 -8.200 1.429 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.388 -6.841 1.107 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -10.428 -10.716 1.073 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.866 -11.549 1.282 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.798 -6.192 0.767 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -15.429 -10.391 1.300 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -15.256 -6.140 0.882 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -16.550 -8.213 1.161 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.951 -5.801 -1.894 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.156 -4.613 -2.209 1.00 0.29 C ATOM 1594 C PHE A 101 -7.983 -3.713 -0.986 1.00 0.29 C ATOM 1595 O PHE A 101 -8.943 -3.434 -0.260 1.00 0.38 O ATOM 1596 CB PHE A 101 -8.811 -3.820 -3.345 1.00 0.34 C ATOM 1597 CG PHE A 101 -8.901 -4.572 -4.646 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -7.763 -5.083 -5.249 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.126 -4.761 -5.270 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -7.845 -5.769 -6.447 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.213 -5.445 -6.467 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.072 -5.950 -7.057 1.00 0.64 C ATOM 0 H PHE A 101 -9.719 -5.971 -2.543 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.169 -4.952 -2.524 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.815 -3.526 -3.037 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.246 -2.902 -3.506 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -6.801 -4.944 -4.778 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.023 -4.368 -4.814 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -6.950 -6.163 -6.906 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.173 -5.585 -6.941 1.00 0.64 H new ATOM 0 HZ PHE A 101 -9.138 -6.485 -7.993 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.759 -3.247 -0.778 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.438 -2.384 0.356 1.00 0.35 C ATOM 1614 C VAL A 102 -6.949 -0.949 0.127 1.00 0.55 C ATOM 1615 O VAL A 102 -7.915 -0.734 -0.616 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.911 -2.373 0.629 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.404 -3.781 0.906 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.152 -1.752 -0.538 1.00 0.82 C ATOM 0 H VAL A 102 -5.965 -3.453 -1.384 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.944 -2.791 1.232 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.732 -1.762 1.514 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.331 -3.751 1.095 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.915 -4.186 1.779 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.603 -4.416 0.042 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.084 -1.757 -0.321 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.341 -2.329 -1.443 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.488 -0.726 -0.685 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.328 0.024 0.791 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.725 1.408 0.631 1.00 0.46 C ATOM 1630 C GLY A 103 -6.790 2.150 1.953 1.00 0.41 C ATOM 1631 O GLY A 103 -7.354 1.643 2.929 1.00 0.59 O ATOM 0 H GLY A 103 -5.554 -0.126 1.439 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.019 1.911 -0.030 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.701 1.449 0.146 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.205 3.343 1.985 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.200 4.176 3.181 1.00 0.34 C ATOM 1637 C LEU A 104 -6.998 5.450 2.919 1.00 0.34 C ATOM 1638 O LEU A 104 -7.373 5.728 1.777 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.768 4.527 3.612 1.00 0.38 C ATOM 1640 CG LEU A 104 -3.909 5.247 2.565 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -2.973 6.241 3.238 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.113 4.235 1.749 1.00 0.66 C ATOM 0 H LEU A 104 -5.724 3.757 1.187 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.663 3.615 3.993 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.821 5.153 4.503 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.260 3.606 3.899 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.568 5.795 1.892 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.371 6.743 2.481 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -3.559 6.980 3.785 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.318 5.713 3.931 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.508 4.759 1.010 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.463 3.664 2.412 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.799 3.557 1.241 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.260 6.218 3.966 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.026 7.445 3.822 1.00 0.41 C ATOM 1656 C LYS A 105 -7.460 8.553 4.705 1.00 0.32 C ATOM 1657 O LYS A 105 -6.938 8.290 5.795 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.491 7.181 4.170 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.434 8.308 3.780 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.587 7.792 2.934 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.692 8.822 2.807 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.264 10.022 2.040 1.00 0.60 N ATOM 0 H LYS A 105 -6.956 6.015 4.918 1.00 0.39 H new ATOM 0 HA LYS A 105 -7.957 7.777 2.786 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.812 6.265 3.674 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.573 7.008 5.243 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -10.824 8.786 4.678 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -9.885 9.070 3.226 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -11.221 7.527 1.942 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.987 6.882 3.380 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -13.553 8.368 2.316 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.017 9.127 3.802 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.982 10.250 1.323 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -12.154 10.827 2.689 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.356 9.829 1.571 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.570 9.794 4.229 1.00 0.36 N ATOM 1677 CA LYS A 106 -7.075 10.957 4.966 1.00 0.46 C ATOM 1678 C LYS A 106 -7.661 11.012 6.375 1.00 0.51 C ATOM 1679 O LYS A 106 -7.112 11.676 7.256 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.405 12.254 4.222 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.896 12.547 4.132 1.00 0.67 C ATOM 1682 CD LYS A 106 -9.151 13.961 3.650 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.640 14.276 3.595 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.897 15.730 3.444 1.00 1.43 N ATOM 0 H LYS A 106 -8.000 10.020 3.332 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.993 10.855 5.043 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.910 13.086 4.723 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.993 12.199 3.214 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.368 11.838 3.452 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -9.356 12.405 5.110 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.654 14.668 4.315 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.714 14.093 2.660 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -11.093 13.740 2.761 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -11.120 13.916 4.505 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -11.923 15.900 3.411 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.487 16.241 4.252 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.461 16.070 2.563 1.00 1.43 H new ATOM 1698 N ASN A 107 -8.790 10.338 6.583 1.00 0.53 N ATOM 1699 CA ASN A 107 -9.425 10.304 7.894 1.00 0.70 C ATOM 1700 C ASN A 107 -8.460 9.757 8.949 1.00 0.65 C ATOM 1701 O ASN A 107 -8.659 9.967 10.147 1.00 0.82 O ATOM 1702 CB ASN A 107 -10.716 9.471 7.853 1.00 0.83 C ATOM 1703 CG ASN A 107 -10.480 7.966 7.851 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.431 7.484 7.416 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -11.466 7.210 8.321 1.00 1.38 N ATOM 0 H ASN A 107 -9.281 9.810 5.861 1.00 0.53 H new ATOM 0 HA ASN A 107 -9.689 11.325 8.170 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -11.332 9.731 8.714 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -11.283 9.741 6.962 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -11.370 6.195 8.330 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -12.319 7.645 8.673 1.00 1.38 H new ATOM 1712 N GLY A 108 -7.420 9.052 8.504 1.00 0.49 N ATOM 1713 CA GLY A 108 -6.440 8.507 9.422 1.00 0.55 C ATOM 1714 C GLY A 108 -6.696 7.048 9.734 1.00 0.52 C ATOM 1715 O GLY A 108 -6.513 6.608 10.872 1.00 1.00 O ATOM 0 H GLY A 108 -7.242 8.850 7.520 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -5.444 8.615 8.993 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -6.453 9.082 10.348 1.00 0.55 H new ATOM 1719 N SER A 109 -7.143 6.295 8.734 1.00 0.52 N ATOM 1720 CA SER A 109 -7.424 4.878 8.907 1.00 0.56 C ATOM 1721 C SER A 109 -7.473 4.161 7.559 1.00 0.51 C ATOM 1722 O SER A 109 -7.822 4.759 6.539 1.00 0.81 O ATOM 1723 CB SER A 109 -8.751 4.691 9.650 1.00 0.75 C ATOM 1724 OG SER A 109 -8.737 5.360 10.903 1.00 0.97 O ATOM 0 H SER A 109 -7.318 6.646 7.793 1.00 0.52 H new ATOM 0 HA SER A 109 -6.619 4.441 9.497 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.569 5.073 9.040 1.00 0.75 H new ATOM 0 HB3 SER A 109 -8.938 3.628 9.804 1.00 0.75 H new ATOM 0 HG SER A 109 -7.814 5.589 11.141 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.103 2.887 7.556 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.122 2.089 6.337 1.00 0.38 C ATOM 1732 C CYS A 110 -8.489 1.431 6.162 1.00 0.36 C ATOM 1733 O CYS A 110 -9.203 1.201 7.142 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.032 1.019 6.390 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.427 1.631 6.951 1.00 0.61 S ATOM 0 H CYS A 110 -6.786 2.384 8.385 1.00 0.37 H new ATOM 0 HA CYS A 110 -6.932 2.744 5.487 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.356 0.218 7.054 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -5.916 0.583 5.398 1.00 0.47 H new ATOM 0 HG CYS A 110 -4.427 1.723 8.248 1.00 0.61 H new ATOM 1741 N LYS A 111 -8.861 1.137 4.923 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.145 0.508 4.654 1.00 0.44 C ATOM 1743 C LYS A 111 -9.995 -0.731 3.778 1.00 0.47 C ATOM 1744 O LYS A 111 -10.071 -0.659 2.546 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.117 1.507 4.017 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.536 2.625 4.960 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.206 2.076 6.214 1.00 0.79 C ATOM 1748 CE LYS A 111 -11.726 2.790 7.468 1.00 0.94 C ATOM 1749 NZ LYS A 111 -11.244 1.833 8.503 1.00 1.27 N ATOM 0 H LYS A 111 -8.296 1.323 4.095 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.557 0.185 5.610 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -10.652 1.942 3.133 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.006 0.974 3.680 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.662 3.212 5.241 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.221 3.299 4.445 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.287 2.184 6.126 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.998 1.010 6.300 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -10.922 3.479 7.208 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -12.539 3.389 7.878 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -10.863 2.361 9.314 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -12.035 1.236 8.819 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.497 1.232 8.099 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.752 -1.860 4.432 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.618 -3.147 3.756 1.00 0.36 C ATOM 1765 C ARG A 112 -10.552 -4.153 4.417 1.00 0.37 C ATOM 1766 O ARG A 112 -11.371 -4.785 3.753 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.168 -3.653 3.817 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.818 -4.683 2.746 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.543 -6.010 2.952 1.00 0.55 C ATOM 1770 NE ARG A 112 -8.000 -6.787 4.074 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.719 -7.635 4.828 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -10.025 -7.791 4.612 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -8.125 -8.325 5.802 1.00 1.57 N ATOM 0 H ARG A 112 -9.642 -1.911 5.445 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.885 -3.026 2.706 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.494 -2.802 3.720 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.989 -4.091 4.799 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -8.072 -4.282 1.765 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.742 -4.856 2.751 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.601 -5.817 3.128 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.474 -6.602 2.039 1.00 0.55 H new ATOM 0 HE ARG A 112 -7.011 -6.675 4.295 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.486 -7.264 3.870 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.564 -8.437 5.189 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -7.126 -8.208 5.974 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.669 -8.969 6.376 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.421 -4.284 5.736 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.262 -5.198 6.488 1.00 0.43 C ATOM 1789 C GLY A 113 -12.719 -4.770 6.491 1.00 0.41 C ATOM 1790 O GLY A 113 -13.594 -5.559 6.128 1.00 0.46 O ATOM 0 H GLY A 113 -9.743 -3.770 6.298 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.180 -6.198 6.062 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.901 -5.259 7.515 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.011 -3.513 6.891 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.379 -2.993 6.933 1.00 0.50 C ATOM 1796 C PRO A 114 -15.183 -3.386 5.698 1.00 0.41 C ATOM 1797 O PRO A 114 -16.251 -3.987 5.809 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.172 -1.478 6.985 1.00 0.62 C ATOM 1799 CG PRO A 114 -12.876 -1.306 7.698 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.031 -2.505 7.345 1.00 0.52 C ATOM 0 HA PRO A 114 -14.947 -3.388 7.775 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.135 -1.047 5.984 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -14.986 -0.984 7.515 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.385 -0.382 7.393 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.031 -1.244 8.775 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.310 -2.269 6.562 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.463 -2.860 8.205 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.646 -3.053 4.525 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.287 -3.356 3.248 1.00 0.39 C ATOM 1810 C ARG A 115 -14.594 -2.601 2.122 1.00 0.44 C ATOM 1811 O ARG A 115 -14.517 -1.372 2.145 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.772 -2.978 3.271 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.474 -3.154 1.932 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.688 -2.248 1.820 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.343 -0.836 2.021 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.242 0.146 2.109 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.537 -0.126 2.003 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.847 1.402 2.303 1.00 1.47 N ATOM 0 H ARG A 115 -13.755 -2.566 4.434 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.202 -4.429 3.079 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.280 -3.586 4.019 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.868 -1.939 3.586 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -16.778 -2.934 1.123 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.781 -4.193 1.814 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.144 -2.373 0.838 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.433 -2.547 2.558 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.356 -0.590 2.098 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.846 -1.087 1.854 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.223 0.626 2.070 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.853 1.617 2.385 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.538 2.149 2.370 1.00 1.47 H new ATOM 1832 N THR A 116 -14.092 -3.339 1.145 1.00 0.36 N ATOM 1833 CA THR A 116 -13.413 -2.748 0.005 1.00 0.38 C ATOM 1834 C THR A 116 -14.139 -3.145 -1.284 1.00 0.39 C ATOM 1835 O THR A 116 -14.337 -4.331 -1.547 1.00 0.51 O ATOM 1836 CB THR A 116 -11.922 -3.180 -0.039 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.099 -2.100 -0.511 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.705 -4.405 -0.924 1.00 0.58 C ATOM 0 H THR A 116 -14.143 -4.357 1.120 1.00 0.36 H new ATOM 0 HA THR A 116 -13.434 -1.663 0.103 1.00 0.38 H new ATOM 0 HB THR A 116 -11.638 -3.443 0.980 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.213 -2.444 -0.751 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.648 -4.671 -0.925 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.289 -5.241 -0.538 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.023 -4.179 -1.942 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.560 -2.144 -2.054 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.278 -2.356 -3.315 1.00 0.39 C ATOM 1848 C HIS A 117 -15.736 -1.013 -3.874 1.00 0.36 C ATOM 1849 O HIS A 117 -15.149 -0.494 -4.819 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.497 -3.271 -3.126 1.00 0.43 C ATOM 1851 CG HIS A 117 -16.212 -4.733 -3.304 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.790 -5.709 -2.521 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -15.395 -5.383 -4.169 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.336 -6.891 -2.889 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.491 -6.723 -3.887 1.00 0.89 N ATOM 0 H HIS A 117 -14.414 -1.161 -1.824 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.595 -2.841 -4.012 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.903 -3.112 -2.127 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.270 -2.976 -3.835 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.783 -4.931 -4.936 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.610 -7.838 -2.447 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.990 -7.468 -4.371 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.778 -0.448 -3.267 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.307 0.838 -3.701 1.00 0.41 C ATOM 1866 C TYR A 118 -16.321 1.948 -3.359 1.00 0.39 C ATOM 1867 O TYR A 118 -15.644 1.883 -2.332 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.662 1.124 -3.042 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.736 0.114 -3.376 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.068 -0.173 -4.696 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -20.421 -0.548 -2.369 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -21.053 -1.093 -5.000 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -21.406 -1.469 -2.664 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.716 -1.739 -3.979 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.699 -2.655 -4.275 1.00 1.05 O ATOM 0 H TYR A 118 -17.270 -0.862 -2.475 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.451 0.801 -4.781 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.529 1.153 -1.961 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -19.001 2.114 -3.348 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.547 0.332 -5.496 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -20.180 -0.340 -1.337 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.301 -1.304 -6.030 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -21.931 -1.976 -1.868 1.00 0.87 H new ATOM 0 HH TYR A 118 -23.066 -3.021 -3.443 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.245 2.959 -4.214 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.330 4.057 -3.982 1.00 0.39 C ATOM 1887 C GLY A 119 -14.005 3.826 -4.680 1.00 0.37 C ATOM 1888 O GLY A 119 -13.303 2.856 -4.380 1.00 0.44 O ATOM 0 H GLY A 119 -16.802 3.038 -5.065 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.775 4.986 -4.340 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.164 4.175 -2.911 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.658 4.722 -5.603 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.417 4.614 -6.373 1.00 0.38 C ATOM 1894 C GLN A 120 -11.230 4.231 -5.486 1.00 0.37 C ATOM 1895 O GLN A 120 -10.329 3.520 -5.930 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.131 5.926 -7.114 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.124 6.208 -8.232 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.820 7.489 -8.987 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -12.101 7.481 -9.985 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.371 8.597 -8.518 1.00 1.00 N ATOM 0 H GLN A 120 -14.223 5.538 -5.838 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.552 3.817 -7.104 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.151 6.751 -6.402 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.124 5.889 -7.531 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.122 5.372 -8.931 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.128 6.270 -7.812 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.961 8.561 -7.687 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -13.205 9.487 -8.988 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.241 4.690 -4.231 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.167 4.378 -3.282 1.00 0.61 C ATOM 1911 C LYS A 121 -9.832 2.883 -3.293 1.00 0.58 C ATOM 1912 O LYS A 121 -8.689 2.495 -3.058 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.563 4.809 -1.855 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.403 3.778 -1.102 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.534 2.722 -0.426 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.279 1.402 -0.268 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.365 0.263 0.037 1.00 1.70 N ATOM 0 H LYS A 121 -11.981 5.279 -3.848 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.282 4.933 -3.593 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.657 5.011 -1.284 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.120 5.744 -1.911 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.011 4.283 -0.351 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.090 3.293 -1.795 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.630 2.563 -1.014 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.218 3.082 0.553 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -12.015 1.497 0.531 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.829 1.187 -1.184 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.832 -0.633 -0.211 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.490 0.362 -0.517 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.135 0.264 1.051 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.836 2.050 -3.558 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.651 0.604 -3.576 1.00 0.65 C ATOM 1933 C ALA A 122 -9.827 0.137 -4.775 1.00 0.57 C ATOM 1934 O ALA A 122 -9.216 -0.930 -4.725 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.002 -0.098 -3.561 1.00 0.77 C ATOM 0 H ALA A 122 -11.788 2.354 -3.763 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.092 0.339 -2.679 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.851 -1.177 -3.575 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.547 0.181 -2.659 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.576 0.199 -4.438 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.800 0.930 -5.847 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.061 0.549 -7.049 1.00 0.48 C ATOM 1943 C ILE A 123 -8.512 1.781 -7.778 1.00 0.41 C ATOM 1944 O ILE A 123 -8.726 1.944 -8.981 1.00 0.61 O ATOM 1945 CB ILE A 123 -9.962 -0.257 -8.025 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -10.769 -1.324 -7.270 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.129 -0.908 -9.124 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -11.796 -2.035 -8.129 1.00 0.79 C ATOM 0 H ILE A 123 -10.276 1.830 -5.907 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.228 -0.076 -6.727 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.659 0.442 -8.488 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -10.081 -2.062 -6.857 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -11.276 -0.854 -6.427 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -9.783 -1.466 -9.794 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.605 -0.137 -9.688 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.403 -1.587 -8.677 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.326 -2.773 -7.527 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.508 -1.309 -8.521 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -11.294 -2.535 -8.957 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.807 2.648 -7.055 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.244 3.850 -7.663 1.00 0.29 C ATOM 1962 C LEU A 124 -6.007 4.340 -6.901 1.00 0.26 C ATOM 1963 O LEU A 124 -6.004 5.433 -6.318 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.304 4.956 -7.731 1.00 0.33 C ATOM 1965 CG LEU A 124 -8.074 6.010 -8.818 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -8.089 5.370 -10.198 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.121 7.110 -8.726 1.00 0.58 C ATOM 0 H LEU A 124 -7.614 2.543 -6.059 1.00 0.31 H new ATOM 0 HA LEU A 124 -6.929 3.597 -8.675 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.278 4.495 -7.894 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.347 5.457 -6.764 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.092 6.457 -8.660 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.924 6.136 -10.956 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -7.299 4.621 -10.260 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -9.055 4.894 -10.368 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.941 7.850 -9.506 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -10.114 6.679 -8.856 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.059 7.590 -7.750 1.00 0.58 H new ATOM 1979 N PHE A 125 -4.959 3.522 -6.910 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.706 3.859 -6.235 1.00 0.23 C ATOM 1981 C PHE A 125 -2.632 4.234 -7.256 1.00 0.17 C ATOM 1982 O PHE A 125 -2.426 3.511 -8.236 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.219 2.676 -5.390 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.258 2.134 -4.447 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.636 2.853 -3.328 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.858 0.906 -4.685 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.592 2.361 -2.461 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.816 0.408 -3.822 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.182 1.138 -2.708 1.00 0.54 C ATOM 0 H PHE A 125 -4.951 2.616 -7.379 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.890 4.713 -5.583 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.893 1.876 -6.055 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.347 2.987 -4.815 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.178 3.811 -3.130 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.573 0.332 -5.555 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -5.878 2.933 -1.590 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.277 -0.549 -4.018 1.00 0.51 H new ATOM 0 HZ PHE A 125 -6.929 0.752 -2.031 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.950 5.352 -7.024 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.900 5.818 -7.927 1.00 0.19 C ATOM 2001 C LEU A 126 0.468 5.762 -7.242 1.00 0.20 C ATOM 2002 O LEU A 126 0.805 6.628 -6.432 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.202 7.243 -8.400 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.205 7.826 -9.408 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.155 6.977 -10.669 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.570 9.260 -9.747 1.00 0.59 C ATOM 0 H LEU A 126 -2.106 5.954 -6.216 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.875 5.159 -8.795 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.196 7.256 -8.848 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.237 7.897 -7.529 1.00 0.32 H new ATOM 0 HG LEU A 126 0.785 7.819 -8.952 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.559 7.409 -11.370 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.155 5.964 -10.413 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.143 6.949 -11.128 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.148 9.658 -10.464 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.570 9.288 -10.181 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.551 9.864 -8.840 1.00 0.59 H new ATOM 2018 N PRO A 127 1.260 4.721 -7.536 1.00 0.21 N ATOM 2019 CA PRO A 127 2.581 4.539 -6.970 1.00 0.29 C ATOM 2020 C PRO A 127 3.680 5.010 -7.921 1.00 0.25 C ATOM 2021 O PRO A 127 3.431 5.222 -9.110 1.00 0.38 O ATOM 2022 CB PRO A 127 2.633 3.025 -6.806 1.00 0.42 C ATOM 2023 CG PRO A 127 1.829 2.488 -7.951 1.00 0.43 C ATOM 2024 CD PRO A 127 0.938 3.611 -8.442 1.00 0.32 C ATOM 0 HA PRO A 127 2.741 5.106 -6.053 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.659 2.659 -6.837 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.213 2.716 -5.849 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.483 2.139 -8.750 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.231 1.634 -7.633 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.148 3.866 -9.481 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.117 3.341 -8.387 1.00 0.32 H new ATOM 2032 N LEU A 128 4.890 5.177 -7.403 1.00 0.22 N ATOM 2033 CA LEU A 128 6.005 5.603 -8.239 1.00 0.21 C ATOM 2034 C LEU A 128 6.420 4.453 -9.160 1.00 0.23 C ATOM 2035 O LEU A 128 6.484 3.302 -8.722 1.00 0.26 O ATOM 2036 CB LEU A 128 7.194 6.062 -7.390 1.00 0.23 C ATOM 2037 CG LEU A 128 8.181 6.992 -8.105 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.529 8.330 -8.427 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.424 7.202 -7.258 1.00 0.37 C ATOM 0 H LEU A 128 5.123 5.026 -6.421 1.00 0.22 H new ATOM 0 HA LEU A 128 5.682 6.453 -8.840 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.814 6.572 -6.505 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.734 5.181 -7.043 1.00 0.23 H new ATOM 0 HG LEU A 128 8.473 6.519 -9.042 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.249 8.973 -8.934 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.667 8.168 -9.075 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.204 8.808 -7.503 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.113 7.865 -7.781 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.143 7.650 -6.305 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.909 6.242 -7.079 1.00 0.37 H new ATOM 2051 N PRO A 129 6.693 4.749 -10.447 1.00 0.27 N ATOM 2052 CA PRO A 129 7.088 3.748 -11.440 1.00 0.33 C ATOM 2053 C PRO A 129 8.060 2.702 -10.886 1.00 0.33 C ATOM 2054 O PRO A 129 7.822 1.501 -11.016 1.00 0.67 O ATOM 2055 CB PRO A 129 7.759 4.578 -12.552 1.00 0.45 C ATOM 2056 CG PRO A 129 7.699 6.008 -12.105 1.00 0.47 C ATOM 2057 CD PRO A 129 6.634 6.083 -11.050 1.00 0.30 C ATOM 0 HA PRO A 129 6.230 3.170 -11.782 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.791 4.261 -12.704 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.241 4.446 -13.502 1.00 0.45 H new ATOM 0 HG2 PRO A 129 8.661 6.330 -11.708 1.00 0.47 H new ATOM 0 HG3 PRO A 129 7.463 6.666 -12.941 1.00 0.47 H new ATOM 0 HD2 PRO A 129 6.839 6.867 -10.321 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.653 6.293 -11.477 1.00 0.30 H new ATOM 2065 N VAL A 130 9.141 3.169 -10.255 1.00 0.37 N ATOM 2066 CA VAL A 130 10.164 2.287 -9.684 1.00 0.35 C ATOM 2067 C VAL A 130 9.544 1.090 -8.956 1.00 0.38 C ATOM 2068 O VAL A 130 9.162 1.188 -7.790 1.00 0.57 O ATOM 2069 CB VAL A 130 11.098 3.056 -8.717 1.00 0.40 C ATOM 2070 CG1 VAL A 130 12.007 3.996 -9.493 1.00 0.47 C ATOM 2071 CG2 VAL A 130 10.298 3.832 -7.674 1.00 0.44 C ATOM 0 H VAL A 130 9.332 4.163 -10.126 1.00 0.37 H new ATOM 0 HA VAL A 130 10.753 1.913 -10.522 1.00 0.35 H new ATOM 0 HB VAL A 130 11.713 2.324 -8.193 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.657 4.529 -8.799 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.615 3.420 -10.191 1.00 0.47 H new ATOM 0 HG13 VAL A 130 11.401 4.714 -10.046 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.982 4.361 -7.010 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.649 4.551 -8.174 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.691 3.139 -7.092 1.00 0.44 H new ATOM 2081 N SER A 131 9.445 -0.032 -9.662 1.00 0.34 N ATOM 2082 CA SER A 131 8.863 -1.253 -9.107 1.00 0.40 C ATOM 2083 C SER A 131 9.411 -2.487 -9.828 1.00 0.39 C ATOM 2084 O SER A 131 10.047 -2.367 -10.880 1.00 0.47 O ATOM 2085 CB SER A 131 7.334 -1.216 -9.251 1.00 0.50 C ATOM 2086 OG SER A 131 6.826 0.098 -9.057 1.00 0.88 O ATOM 0 H SER A 131 9.762 -0.123 -10.627 1.00 0.34 H new ATOM 0 HA SER A 131 9.130 -1.312 -8.052 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.052 -1.574 -10.241 1.00 0.50 H new ATOM 0 HB3 SER A 131 6.882 -1.893 -8.526 1.00 0.50 H new ATOM 0 HG SER A 131 7.112 0.672 -9.798 1.00 0.88 H new ATOM 2092 N SER A 132 9.176 -3.665 -9.256 1.00 0.48 N ATOM 2093 CA SER A 132 9.631 -4.909 -9.861 1.00 0.54 C ATOM 2094 C SER A 132 9.006 -5.081 -11.247 1.00 0.49 C ATOM 2095 O SER A 132 7.934 -4.533 -11.527 1.00 0.96 O ATOM 2096 CB SER A 132 9.270 -6.102 -8.968 1.00 0.76 C ATOM 2097 OG SER A 132 8.843 -5.677 -7.680 1.00 1.03 O ATOM 0 H SER A 132 8.674 -3.782 -8.376 1.00 0.48 H new ATOM 0 HA SER A 132 10.715 -4.868 -9.965 1.00 0.54 H new ATOM 0 HB2 SER A 132 8.480 -6.686 -9.440 1.00 0.76 H new ATOM 0 HB3 SER A 132 10.135 -6.758 -8.868 1.00 0.76 H new ATOM 0 HG SER A 132 8.618 -6.460 -7.135 1.00 1.03 H new ATOM 2103 N ASP A 133 9.675 -5.829 -12.113 1.00 0.56 N ATOM 2104 CA ASP A 133 9.177 -6.061 -13.463 1.00 0.58 C ATOM 2105 C ASP A 133 9.503 -7.481 -13.913 1.00 0.63 C ATOM 2106 O ASP A 133 10.696 -7.786 -14.126 1.00 0.80 O ATOM 2107 CB ASP A 133 9.773 -5.038 -14.433 1.00 0.80 C ATOM 2108 CG ASP A 133 9.274 -5.216 -15.853 1.00 0.92 C ATOM 2109 OD1 ASP A 133 8.056 -5.069 -16.088 1.00 1.06 O ATOM 2110 OD2 ASP A 133 10.103 -5.468 -16.748 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.569 -8.300 -14.014 1.00 0.75 O ATOM 0 H ASP A 133 10.563 -6.286 -11.906 1.00 0.56 H new ATOM 0 HA ASP A 133 8.094 -5.942 -13.460 1.00 0.58 H new ATOM 0 HB2 ASP A 133 9.528 -4.033 -14.090 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.860 -5.123 -14.421 1.00 0.80 H new