USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 LYS NZ :NH3+ 160:sc=-0.00915 (180deg=-0.801!) USER MOD Set 1.2: A 131 SER OG : rot -170:sc= 0.562 USER MOD Set 2.1: A 116 THR OG1 : rot 177:sc= 0.925 USER MOD Set 2.2: A 121 LYS NZ :NH3+ -169:sc= 0.5 (180deg=-0.751) USER MOD Set 3.1: A 107 ASN : amide:sc= 1.73 K(o=2.9,f=-5.8!) USER MOD Set 3.2: A 109 SER OG : rot 98:sc= 1.14 USER MOD Set 4.1: A 11 ASN : amide:sc= 0.281 K(o=1.1,f=-17!) USER MOD Set 4.2: A 105 LYS NZ :NH3+ 170:sc= 0.823 (180deg=0) USER MOD Set 5.1: A 85 ASN : amide:sc= -0.53 K(o=-2.1,f=-6.8) USER MOD Set 5.2: A 86 HIS : no HE2:sc= -1.58 K(o=-2.1,f=-5.2) USER MOD Set 6.1: A 34 HIS : no HE2:sc= 0.872 K(o=2,f=-8.7!) USER MOD Set 6.2: A 52 THR OG1 : rot 120:sc= 1.11 USER MOD Set 7.1: A 33 GLN : amide:sc= 0.519 K(o=0.7,f=-6.3!) USER MOD Set 7.2: A 51 SER OG : rot 40:sc= 0.177 USER MOD Set 8.1: A 40 SER OG : rot 56:sc= 2.1 USER MOD Set 8.2: A 132 SER OG : rot 16:sc= 0.0789! USER MOD Set 9.1: A 36 GLN : amide:sc= 0.659 X(o=-0.12,f=-0.61) USER MOD Set 9.2: A 38 GLN : amide:sc= -0.779 K(o=-0.12,f=-4.7!) USER MOD Single : A 1 TYR N :NH3+ -147:sc= 0.261 (180deg=-0.0543) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= -0.0386 (180deg=-0.261) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 128:sc= 1.14 USER MOD Single : A 9 CYS SG : rot -160:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.637 X(o=-0.64,f=-0.49) USER MOD Single : A 23 THR OG1 : rot -27:sc= 0.568 USER MOD Single : A 27 THR OG1 : rot 53:sc= -0.474 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -125:sc= 1.27 USER MOD Single : A 48 TYR OH : rot -56:sc= 0.925 USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 0.806 (180deg=-0.0392) USER MOD Single : A 54 THR OG1 : rot 43:sc= 0.35 USER MOD Single : A 56 GLN : amide:sc= -1.87 X(o=-1.9,f=-1.8) USER MOD Single : A 57 TYR OH : rot 180:sc= 0.241 USER MOD Single : A 60 MET CE :methyl -145:sc= -3.84 (180deg=-5.82!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 74:sc= 1.26 USER MOD Single : A 69 SER OG : rot -82:sc= 1.26 USER MOD Single : A 70 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.6!) USER MOD Single : A 71 THR OG1 : rot 79:sc= 0.926 USER MOD Single : A 73 ASN : amide:sc= -0.026 K(o=-0.026,f=-8.7!) USER MOD Single : A 76 CYS SG : rot 51:sc= 0.452 USER MOD Single : A 87 TYR OH : rot -176:sc= 1.26 USER MOD Single : A 88 ASN :FLIP amide:sc= 0.0153 F(o=-2.8!,f=0.015) USER MOD Single : A 89 THR OG1 : rot -140:sc= -1.21 USER MOD Single : A 90 TYR OH : rot 16:sc= 1.23 USER MOD Single : A 92 SER OG : rot -105:sc= 0.312 USER MOD Single : A 93 LYS NZ :NH3+ -145:sc= 1.07 (180deg=-1.39!) USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 1.82 (180deg=1.59) USER MOD Single : A 95 HIS : no HD1:sc= 0.963 K(o=0.96,f=-6.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.56) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 21:sc= -1.68 USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 0.911 (180deg=0.841) USER MOD Single : A 117 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-0.98) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.701 -1.698 -9.190 1.00 0.54 N ATOM 2 CA TYR A 1 15.338 -2.175 -8.838 1.00 0.51 C ATOM 3 C TYR A 1 14.753 -1.407 -7.646 1.00 0.43 C ATOM 4 O TYR A 1 13.541 -1.216 -7.570 1.00 0.59 O ATOM 5 CB TYR A 1 15.352 -3.685 -8.533 1.00 0.57 C ATOM 6 CG TYR A 1 16.179 -4.081 -7.325 1.00 0.55 C ATOM 7 CD1 TYR A 1 15.624 -4.094 -6.051 1.00 0.53 C ATOM 8 CD2 TYR A 1 17.513 -4.443 -7.459 1.00 0.77 C ATOM 9 CE1 TYR A 1 16.373 -4.457 -4.950 1.00 0.65 C ATOM 10 CE2 TYR A 1 18.268 -4.808 -6.361 1.00 0.93 C ATOM 11 CZ TYR A 1 17.694 -4.812 -5.110 1.00 0.85 C ATOM 12 OH TYR A 1 18.445 -5.167 -4.013 1.00 1.08 O ATOM 0 H1 TYR A 1 16.842 -1.778 -10.217 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.806 -0.704 -8.903 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.410 -2.278 -8.697 1.00 0.54 H new ATOM 0 HA TYR A 1 14.700 -1.989 -9.702 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.326 -4.020 -8.379 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.733 -4.215 -9.406 1.00 0.57 H new ATOM 0 HD1 TYR A 1 14.589 -3.815 -5.920 1.00 0.53 H new ATOM 0 HD2 TYR A 1 17.968 -4.439 -8.438 1.00 0.77 H new ATOM 0 HE1 TYR A 1 15.925 -4.463 -3.967 1.00 0.65 H new ATOM 0 HE2 TYR A 1 19.304 -5.089 -6.484 1.00 0.93 H new ATOM 0 HH TYR A 1 19.356 -5.390 -4.298 1.00 1.08 H new ATOM 24 N LYS A 2 15.604 -0.954 -6.724 1.00 0.35 N ATOM 25 CA LYS A 2 15.128 -0.224 -5.552 1.00 0.39 C ATOM 26 C LYS A 2 15.298 1.283 -5.737 1.00 0.34 C ATOM 27 O LYS A 2 16.363 1.751 -6.139 1.00 0.48 O ATOM 28 CB LYS A 2 15.857 -0.685 -4.282 1.00 0.54 C ATOM 29 CG LYS A 2 17.364 -0.444 -4.291 1.00 0.73 C ATOM 30 CD LYS A 2 18.131 -1.677 -4.741 1.00 1.05 C ATOM 31 CE LYS A 2 19.626 -1.535 -4.487 1.00 1.15 C ATOM 32 NZ LYS A 2 19.947 -1.509 -3.036 1.00 1.40 N ATOM 0 H LYS A 2 16.615 -1.079 -6.766 1.00 0.35 H new ATOM 0 HA LYS A 2 14.066 -0.441 -5.440 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.425 -0.170 -3.424 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.674 -1.750 -4.140 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.595 0.390 -4.954 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.692 -0.157 -3.292 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.754 -2.553 -4.213 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.957 -1.846 -5.804 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.154 -2.363 -4.960 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.987 -0.619 -4.954 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.960 -1.701 -2.901 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.717 -0.573 -2.646 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.389 -2.236 -2.544 1.00 1.40 H new ATOM 46 N LYS A 3 14.236 2.029 -5.456 1.00 0.28 N ATOM 47 CA LYS A 3 14.249 3.484 -5.575 1.00 0.26 C ATOM 48 C LYS A 3 13.203 4.096 -4.646 1.00 0.26 C ATOM 49 O LYS A 3 12.273 3.409 -4.223 1.00 0.29 O ATOM 50 CB LYS A 3 13.978 3.911 -7.022 1.00 0.30 C ATOM 51 CG LYS A 3 15.187 3.779 -7.937 1.00 0.49 C ATOM 52 CD LYS A 3 14.884 4.274 -9.339 1.00 0.55 C ATOM 53 CE LYS A 3 16.134 4.271 -10.206 1.00 0.78 C ATOM 54 NZ LYS A 3 15.845 4.688 -11.600 1.00 1.18 N ATOM 0 H LYS A 3 13.345 1.646 -5.141 1.00 0.28 H new ATOM 0 HA LYS A 3 15.237 3.844 -5.287 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.163 3.308 -7.423 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.641 4.947 -7.028 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.021 4.346 -7.523 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.500 2.736 -7.979 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.121 3.642 -9.794 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.474 5.283 -9.291 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.877 4.942 -9.774 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.570 3.272 -10.210 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 16.724 4.672 -12.156 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 15.156 4.034 -12.022 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 15.453 5.651 -11.600 1.00 1.18 H new ATOM 68 N PRO A 4 13.349 5.387 -4.310 1.00 0.28 N ATOM 69 CA PRO A 4 12.412 6.088 -3.424 1.00 0.30 C ATOM 70 C PRO A 4 10.989 6.077 -3.980 1.00 0.27 C ATOM 71 O PRO A 4 10.606 6.946 -4.768 1.00 0.35 O ATOM 72 CB PRO A 4 12.966 7.517 -3.362 1.00 0.35 C ATOM 73 CG PRO A 4 14.390 7.397 -3.781 1.00 0.43 C ATOM 74 CD PRO A 4 14.435 6.269 -4.767 1.00 0.37 C ATOM 0 HA PRO A 4 12.340 5.616 -2.444 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.414 8.183 -4.025 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.884 7.929 -2.356 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.744 8.324 -4.232 1.00 0.43 H new ATOM 0 HG3 PRO A 4 15.033 7.193 -2.925 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.270 6.617 -5.787 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.399 5.761 -4.756 1.00 0.37 H new ATOM 82 N LYS A 5 10.221 5.072 -3.583 1.00 0.24 N ATOM 83 CA LYS A 5 8.849 4.925 -4.040 1.00 0.22 C ATOM 84 C LYS A 5 7.869 5.510 -3.024 1.00 0.25 C ATOM 85 O LYS A 5 8.210 5.724 -1.861 1.00 0.48 O ATOM 86 CB LYS A 5 8.549 3.439 -4.284 1.00 0.24 C ATOM 87 CG LYS A 5 7.231 3.174 -4.998 1.00 0.24 C ATOM 88 CD LYS A 5 7.195 1.770 -5.590 1.00 0.34 C ATOM 89 CE LYS A 5 5.862 1.469 -6.265 1.00 0.35 C ATOM 90 NZ LYS A 5 5.890 0.182 -7.013 1.00 0.40 N ATOM 0 H LYS A 5 10.529 4.342 -2.941 1.00 0.24 H new ATOM 0 HA LYS A 5 8.727 5.475 -4.973 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.360 3.009 -4.872 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.540 2.920 -3.325 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.405 3.297 -4.298 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.090 3.909 -5.790 1.00 0.24 H new ATOM 0 HD2 LYS A 5 8.001 1.662 -6.315 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.375 1.039 -4.802 1.00 0.34 H new ATOM 0 HE2 LYS A 5 5.075 1.433 -5.512 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.611 2.280 -6.949 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.917 -0.153 -7.165 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.354 0.325 -7.933 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.418 -0.527 -6.465 1.00 0.40 H new ATOM 104 N LEU A 6 6.655 5.783 -3.484 1.00 0.22 N ATOM 105 CA LEU A 6 5.606 6.325 -2.632 1.00 0.23 C ATOM 106 C LEU A 6 4.258 5.743 -3.051 1.00 0.22 C ATOM 107 O LEU A 6 4.106 5.284 -4.187 1.00 0.25 O ATOM 108 CB LEU A 6 5.574 7.861 -2.699 1.00 0.27 C ATOM 109 CG LEU A 6 5.039 8.462 -4.006 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.698 9.933 -3.814 1.00 0.45 C ATOM 111 CD2 LEU A 6 6.048 8.290 -5.133 1.00 0.50 C ATOM 0 H LEU A 6 6.371 5.636 -4.453 1.00 0.22 H new ATOM 0 HA LEU A 6 5.815 6.044 -1.600 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.963 8.229 -1.875 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.585 8.234 -2.537 1.00 0.27 H new ATOM 0 HG LEU A 6 4.129 7.928 -4.280 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.320 10.344 -4.750 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.936 10.032 -3.041 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.593 10.478 -3.514 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.647 8.723 -6.049 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.978 8.794 -4.869 1.00 0.50 H new ATOM 0 HD23 LEU A 6 6.243 7.229 -5.288 1.00 0.50 H new ATOM 123 N LEU A 7 3.292 5.748 -2.139 1.00 0.24 N ATOM 124 CA LEU A 7 1.965 5.214 -2.425 1.00 0.26 C ATOM 125 C LEU A 7 0.923 6.328 -2.368 1.00 0.22 C ATOM 126 O LEU A 7 0.311 6.569 -1.326 1.00 0.24 O ATOM 127 CB LEU A 7 1.616 4.102 -1.430 1.00 0.32 C ATOM 128 CG LEU A 7 0.251 3.441 -1.642 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.221 2.673 -2.956 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.082 2.522 -0.475 1.00 0.46 C ATOM 0 H LEU A 7 3.403 6.116 -1.194 1.00 0.24 H new ATOM 0 HA LEU A 7 1.966 4.792 -3.430 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.386 3.333 -1.485 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.649 4.515 -0.422 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.505 4.225 -1.690 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.758 2.212 -3.086 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.412 3.358 -3.782 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.988 1.899 -2.942 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.055 2.060 -0.642 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.679 1.746 -0.395 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.108 3.101 0.448 1.00 0.46 H new ATOM 142 N TYR A 8 0.725 7.006 -3.491 1.00 0.22 N ATOM 143 CA TYR A 8 -0.231 8.099 -3.557 1.00 0.21 C ATOM 144 C TYR A 8 -1.642 7.579 -3.810 1.00 0.21 C ATOM 145 O TYR A 8 -1.876 6.795 -4.736 1.00 0.29 O ATOM 146 CB TYR A 8 0.163 9.088 -4.655 1.00 0.24 C ATOM 147 CG TYR A 8 -0.666 10.354 -4.668 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.935 10.373 -5.237 1.00 0.37 C ATOM 149 CD2 TYR A 8 -0.178 11.528 -4.113 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.692 11.528 -5.248 1.00 0.46 C ATOM 151 CE2 TYR A 8 -0.929 12.685 -4.120 1.00 0.56 C ATOM 152 CZ TYR A 8 -2.183 12.681 -4.688 1.00 0.50 C ATOM 153 OH TYR A 8 -2.930 13.836 -4.701 1.00 0.63 O ATOM 0 H TYR A 8 1.214 6.817 -4.366 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.220 8.611 -2.595 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.213 9.354 -4.531 1.00 0.24 H new ATOM 0 HB3 TYR A 8 0.072 8.596 -5.623 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.334 9.471 -5.677 1.00 0.37 H new ATOM 0 HD2 TYR A 8 0.806 11.536 -3.668 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.676 11.528 -5.692 1.00 0.46 H new ATOM 0 HE2 TYR A 8 -0.535 13.590 -3.682 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.986 14.200 -3.793 1.00 0.63 H new ATOM 163 N CYS A 9 -2.574 8.012 -2.972 1.00 0.23 N ATOM 164 CA CYS A 9 -3.969 7.623 -3.101 1.00 0.27 C ATOM 165 C CYS A 9 -4.793 8.827 -3.548 1.00 0.28 C ATOM 166 O CYS A 9 -4.937 9.802 -2.806 1.00 0.30 O ATOM 167 CB CYS A 9 -4.497 7.082 -1.772 1.00 0.30 C ATOM 168 SG CYS A 9 -3.513 5.732 -1.075 1.00 0.37 S ATOM 0 H CYS A 9 -2.385 8.638 -2.189 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.052 6.834 -3.848 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.536 7.898 -1.050 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.520 6.734 -1.915 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.230 5.071 -0.215 1.00 0.37 H new ATOM 174 N SER A 10 -5.312 8.767 -4.766 1.00 0.37 N ATOM 175 CA SER A 10 -6.108 9.857 -5.317 1.00 0.42 C ATOM 176 C SER A 10 -7.457 9.973 -4.599 1.00 0.39 C ATOM 177 O SER A 10 -8.512 9.689 -5.176 1.00 0.51 O ATOM 178 CB SER A 10 -6.312 9.639 -6.820 1.00 0.56 C ATOM 179 OG SER A 10 -5.107 9.223 -7.443 1.00 1.23 O ATOM 0 H SER A 10 -5.196 7.972 -5.395 1.00 0.37 H new ATOM 0 HA SER A 10 -5.571 10.793 -5.163 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.086 8.888 -6.980 1.00 0.56 H new ATOM 0 HB3 SER A 10 -6.663 10.562 -7.280 1.00 0.56 H new ATOM 0 HG SER A 10 -5.263 9.089 -8.401 1.00 1.23 H new ATOM 185 N ASN A 11 -7.415 10.381 -3.334 1.00 0.33 N ATOM 186 CA ASN A 11 -8.625 10.536 -2.534 1.00 0.36 C ATOM 187 C ASN A 11 -8.635 11.884 -1.811 1.00 0.35 C ATOM 188 O ASN A 11 -9.126 11.997 -0.688 1.00 0.47 O ATOM 189 CB ASN A 11 -8.748 9.387 -1.529 1.00 0.44 C ATOM 190 CG ASN A 11 -10.169 9.212 -1.020 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.517 9.687 0.064 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.006 8.535 -1.796 1.00 0.75 N ATOM 0 H ASN A 11 -6.553 10.611 -2.840 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.483 10.507 -3.205 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.416 8.461 -1.998 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.083 9.573 -0.685 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -11.972 8.393 -1.502 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.683 8.156 -2.686 1.00 0.75 H new ATOM 199 N GLY A 12 -8.090 12.906 -2.469 1.00 0.38 N ATOM 200 CA GLY A 12 -8.053 14.235 -1.891 1.00 0.45 C ATOM 201 C GLY A 12 -6.847 14.460 -1.000 1.00 0.46 C ATOM 202 O GLY A 12 -6.863 14.096 0.177 1.00 0.87 O ATOM 0 H GLY A 12 -7.672 12.834 -3.397 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -8.049 14.974 -2.692 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.962 14.399 -1.312 1.00 0.45 H new ATOM 206 N GLY A 13 -5.806 15.068 -1.555 1.00 0.38 N ATOM 207 CA GLY A 13 -4.609 15.342 -0.785 1.00 0.36 C ATOM 208 C GLY A 13 -3.447 14.453 -1.177 1.00 0.31 C ATOM 209 O GLY A 13 -3.467 13.821 -2.235 1.00 0.40 O ATOM 0 H GLY A 13 -5.770 15.377 -2.527 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.325 16.386 -0.921 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.824 15.206 0.275 1.00 0.36 H new ATOM 213 N HIS A 14 -2.433 14.405 -0.322 1.00 0.26 N ATOM 214 CA HIS A 14 -1.247 13.595 -0.570 1.00 0.24 C ATOM 215 C HIS A 14 -1.091 12.545 0.525 1.00 0.22 C ATOM 216 O HIS A 14 -1.230 12.853 1.709 1.00 0.30 O ATOM 217 CB HIS A 14 -0.002 14.487 -0.635 1.00 0.28 C ATOM 218 CG HIS A 14 0.051 15.359 -1.854 1.00 0.38 C ATOM 219 ND1 HIS A 14 -0.865 16.356 -2.115 1.00 0.60 N ATOM 220 CD2 HIS A 14 0.925 15.377 -2.887 1.00 0.53 C ATOM 221 CE1 HIS A 14 -0.557 16.946 -3.254 1.00 0.72 C ATOM 222 NE2 HIS A 14 0.525 16.371 -3.740 1.00 0.66 N ATOM 0 H HIS A 14 -2.409 14.922 0.557 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.361 13.087 -1.527 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.029 15.117 0.254 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.887 13.857 -0.611 1.00 0.28 H new ATOM 0 HD2 HIS A 14 1.779 14.728 -3.015 1.00 0.53 H new ATOM 0 HE1 HIS A 14 -1.099 17.761 -3.710 1.00 0.72 H new ATOM 0 HE2 HIS A 14 0.990 16.626 -4.612 1.00 0.66 H new ATOM 231 N PHE A 15 -0.808 11.310 0.128 1.00 0.20 N ATOM 232 CA PHE A 15 -0.656 10.208 1.075 1.00 0.21 C ATOM 233 C PHE A 15 0.715 9.560 0.931 1.00 0.21 C ATOM 234 O PHE A 15 1.111 9.198 -0.178 1.00 0.23 O ATOM 235 CB PHE A 15 -1.739 9.151 0.835 1.00 0.27 C ATOM 236 CG PHE A 15 -3.143 9.691 0.864 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.595 10.550 -0.128 1.00 0.31 C ATOM 238 CD2 PHE A 15 -4.012 9.332 1.880 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.886 11.042 -0.103 1.00 0.37 C ATOM 240 CE2 PHE A 15 -5.303 9.821 1.907 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.741 10.677 0.915 1.00 0.45 C ATOM 0 H PHE A 15 -0.678 11.044 -0.848 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.756 10.612 2.082 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.563 8.679 -0.132 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.645 8.372 1.592 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.930 10.837 -0.929 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.677 8.663 2.659 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.225 11.711 -0.880 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.972 9.534 2.705 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.751 11.059 0.937 1.00 0.45 H new ATOM 251 N LEU A 16 1.437 9.432 2.044 1.00 0.20 N ATOM 252 CA LEU A 16 2.762 8.806 2.031 1.00 0.22 C ATOM 253 C LEU A 16 3.439 8.865 3.405 1.00 0.23 C ATOM 254 O LEU A 16 4.640 9.105 3.502 1.00 0.33 O ATOM 255 CB LEU A 16 3.667 9.456 0.973 1.00 0.23 C ATOM 256 CG LEU A 16 3.783 10.983 1.046 1.00 0.24 C ATOM 257 CD1 LEU A 16 5.206 11.398 1.379 1.00 0.46 C ATOM 258 CD2 LEU A 16 3.340 11.612 -0.267 1.00 0.45 C ATOM 0 H LEU A 16 1.130 9.751 2.963 1.00 0.20 H new ATOM 0 HA LEU A 16 2.613 7.757 1.775 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.666 9.029 1.064 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.293 9.185 -0.014 1.00 0.23 H new ATOM 0 HG LEU A 16 3.128 11.339 1.841 1.00 0.24 H new ATOM 0 HD11 LEU A 16 5.266 12.485 1.426 1.00 0.46 H new ATOM 0 HD12 LEU A 16 5.492 10.977 2.343 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.882 11.030 0.607 1.00 0.46 H new ATOM 0 HD21 LEU A 16 3.428 12.696 -0.199 1.00 0.45 H new ATOM 0 HD22 LEU A 16 3.971 11.247 -1.077 1.00 0.45 H new ATOM 0 HD23 LEU A 16 2.302 11.344 -0.467 1.00 0.45 H new ATOM 270 N ARG A 17 2.677 8.626 4.468 1.00 0.24 N ATOM 271 CA ARG A 17 3.238 8.645 5.816 1.00 0.26 C ATOM 272 C ARG A 17 2.808 7.410 6.596 1.00 0.22 C ATOM 273 O ARG A 17 1.671 6.955 6.473 1.00 0.29 O ATOM 274 CB ARG A 17 2.828 9.912 6.566 1.00 0.34 C ATOM 275 CG ARG A 17 3.357 9.972 7.992 1.00 0.47 C ATOM 276 CD ARG A 17 3.173 11.352 8.605 1.00 0.53 C ATOM 277 NE ARG A 17 1.767 11.666 8.853 1.00 0.54 N ATOM 278 CZ ARG A 17 1.339 12.781 9.450 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.210 13.686 9.898 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.039 12.987 9.603 1.00 0.86 N ATOM 0 H ARG A 17 1.679 8.419 4.424 1.00 0.24 H new ATOM 0 HA ARG A 17 4.324 8.639 5.723 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.188 10.782 6.017 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.740 9.976 6.588 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.841 9.231 8.603 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.415 9.709 7.999 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.726 11.407 9.543 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.599 12.103 7.939 1.00 0.53 H new ATOM 0 HE ARG A 17 1.067 10.989 8.550 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.212 13.529 9.786 1.00 0.85 H new ATOM 0 HH12 ARG A 17 1.875 14.535 10.353 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.630 12.295 9.265 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -0.292 13.837 10.058 1.00 0.86 H new ATOM 294 N ILE A 18 3.730 6.878 7.391 1.00 0.21 N ATOM 295 CA ILE A 18 3.466 5.697 8.200 1.00 0.20 C ATOM 296 C ILE A 18 3.981 5.905 9.621 1.00 0.20 C ATOM 297 O ILE A 18 5.098 6.393 9.820 1.00 0.26 O ATOM 298 CB ILE A 18 4.124 4.431 7.594 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.785 3.188 8.424 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.633 4.603 7.488 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.435 2.593 8.095 1.00 0.33 C ATOM 0 H ILE A 18 4.674 7.251 7.492 1.00 0.21 H new ATOM 0 HA ILE A 18 2.386 5.547 8.218 1.00 0.20 H new ATOM 0 HB ILE A 18 3.722 4.293 6.590 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.555 2.433 8.264 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.810 3.449 9.482 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.073 3.702 7.060 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.858 5.456 6.848 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.050 4.774 8.480 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.261 1.717 8.720 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.656 3.332 8.282 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.413 2.300 7.045 1.00 0.33 H new ATOM 313 N LEU A 19 3.159 5.556 10.598 1.00 0.21 N ATOM 314 CA LEU A 19 3.529 5.694 11.999 1.00 0.24 C ATOM 315 C LEU A 19 3.968 4.344 12.558 1.00 0.23 C ATOM 316 O LEU A 19 3.287 3.334 12.350 1.00 0.22 O ATOM 317 CB LEU A 19 2.359 6.252 12.819 1.00 0.30 C ATOM 318 CG LEU A 19 1.891 7.663 12.433 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.077 8.616 12.326 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.104 7.635 11.129 1.00 0.48 C ATOM 0 H LEU A 19 2.226 5.173 10.446 1.00 0.21 H new ATOM 0 HA LEU A 19 4.360 6.396 12.069 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.514 5.570 12.724 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.646 6.259 13.870 1.00 0.30 H new ATOM 0 HG LEU A 19 1.231 8.027 13.220 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.722 9.609 12.052 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.591 8.667 13.286 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.767 8.254 11.564 1.00 0.54 H new ATOM 0 HD21 LEU A 19 0.783 8.645 10.876 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.736 7.244 10.331 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.229 6.995 11.246 1.00 0.48 H new ATOM 332 N PRO A 20 5.106 4.311 13.281 1.00 0.29 N ATOM 333 CA PRO A 20 5.660 3.085 13.867 1.00 0.33 C ATOM 334 C PRO A 20 4.590 2.207 14.514 1.00 0.30 C ATOM 335 O PRO A 20 4.645 0.979 14.422 1.00 0.36 O ATOM 336 CB PRO A 20 6.655 3.595 14.926 1.00 0.41 C ATOM 337 CG PRO A 20 6.532 5.087 14.927 1.00 0.55 C ATOM 338 CD PRO A 20 5.944 5.469 13.600 1.00 0.38 C ATOM 0 HA PRO A 20 6.121 2.453 13.107 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.423 3.184 15.909 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.673 3.288 14.684 1.00 0.41 H new ATOM 0 HG2 PRO A 20 5.894 5.423 15.745 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.506 5.556 15.069 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.360 6.387 13.664 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.714 5.633 12.846 1.00 0.38 H new ATOM 346 N ASP A 21 3.621 2.846 15.165 1.00 0.27 N ATOM 347 CA ASP A 21 2.525 2.133 15.823 1.00 0.30 C ATOM 348 C ASP A 21 1.835 1.171 14.858 1.00 0.29 C ATOM 349 O ASP A 21 1.237 0.182 15.283 1.00 0.41 O ATOM 350 CB ASP A 21 1.497 3.128 16.369 1.00 0.36 C ATOM 351 CG ASP A 21 2.015 3.922 17.551 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.987 4.687 17.379 1.00 0.95 O ATOM 353 OD2 ASP A 21 1.449 3.792 18.653 1.00 0.96 O ATOM 0 H ASP A 21 3.571 3.861 15.252 1.00 0.27 H new ATOM 0 HA ASP A 21 2.950 1.558 16.646 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.207 3.816 15.575 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.598 2.588 16.666 1.00 0.36 H new ATOM 358 N GLY A 22 1.922 1.462 13.563 1.00 0.24 N ATOM 359 CA GLY A 22 1.300 0.616 12.568 1.00 0.27 C ATOM 360 C GLY A 22 0.109 1.292 11.925 1.00 0.27 C ATOM 361 O GLY A 22 -1.017 0.805 12.018 1.00 0.35 O ATOM 0 H GLY A 22 2.415 2.272 13.187 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.030 0.359 11.801 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.982 -0.318 13.032 1.00 0.27 H new ATOM 365 N THR A 23 0.347 2.434 11.292 1.00 0.24 N ATOM 366 CA THR A 23 -0.717 3.176 10.633 1.00 0.27 C ATOM 367 C THR A 23 -0.153 4.082 9.539 1.00 0.22 C ATOM 368 O THR A 23 0.896 4.704 9.723 1.00 0.25 O ATOM 369 CB THR A 23 -1.505 4.030 11.652 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.886 3.228 12.783 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.748 4.633 11.015 1.00 0.43 C ATOM 0 H THR A 23 1.269 2.866 11.222 1.00 0.24 H new ATOM 0 HA THR A 23 -1.392 2.450 10.180 1.00 0.27 H new ATOM 0 HB THR A 23 -0.856 4.840 11.983 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.969 2.291 12.507 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.283 5.229 11.754 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.456 5.269 10.179 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.396 3.834 10.655 1.00 0.43 H new ATOM 379 N VAL A 24 -0.844 4.133 8.406 1.00 0.25 N ATOM 380 CA VAL A 24 -0.431 4.963 7.279 1.00 0.24 C ATOM 381 C VAL A 24 -1.462 6.066 7.044 1.00 0.28 C ATOM 382 O VAL A 24 -2.665 5.816 7.131 1.00 0.37 O ATOM 383 CB VAL A 24 -0.252 4.119 5.992 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.562 3.458 5.576 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.308 4.965 4.858 1.00 0.32 C ATOM 0 H VAL A 24 -1.701 3.604 8.242 1.00 0.25 H new ATOM 0 HA VAL A 24 0.533 5.411 7.522 1.00 0.24 H new ATOM 0 HB VAL A 24 0.466 3.329 6.214 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.403 2.873 4.670 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.908 2.802 6.375 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.312 4.225 5.385 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.424 4.348 3.967 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.376 5.786 4.645 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.278 5.368 5.149 1.00 0.32 H new ATOM 395 N ASP A 25 -0.997 7.278 6.759 1.00 0.28 N ATOM 396 CA ASP A 25 -1.907 8.400 6.539 1.00 0.35 C ATOM 397 C ASP A 25 -1.357 9.392 5.508 1.00 0.27 C ATOM 398 O ASP A 25 -0.371 9.109 4.811 1.00 0.26 O ATOM 399 CB ASP A 25 -2.198 9.108 7.872 1.00 0.50 C ATOM 400 CG ASP A 25 -1.137 10.120 8.264 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.068 9.782 8.239 1.00 1.19 O ATOM 402 OD2 ASP A 25 -1.506 11.259 8.620 1.00 1.28 O ATOM 0 H ASP A 25 -0.007 7.509 6.675 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.837 8.001 6.134 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.162 9.612 7.804 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.284 8.360 8.660 1.00 0.50 H new ATOM 407 N GLY A 26 -2.008 10.553 5.418 1.00 0.27 N ATOM 408 CA GLY A 26 -1.616 11.575 4.466 1.00 0.26 C ATOM 409 C GLY A 26 -0.296 12.243 4.802 1.00 0.32 C ATOM 410 O GLY A 26 0.143 12.236 5.953 1.00 0.72 O ATOM 0 H GLY A 26 -2.810 10.802 5.997 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.546 11.128 3.474 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.396 12.334 4.419 1.00 0.26 H new ATOM 414 N THR A 27 0.328 12.829 3.783 1.00 0.25 N ATOM 415 CA THR A 27 1.606 13.520 3.920 1.00 0.23 C ATOM 416 C THR A 27 2.137 13.911 2.537 1.00 0.23 C ATOM 417 O THR A 27 1.736 13.328 1.527 1.00 0.26 O ATOM 418 CB THR A 27 2.645 12.652 4.676 1.00 0.30 C ATOM 419 OG1 THR A 27 2.485 12.840 6.089 1.00 0.60 O ATOM 420 CG2 THR A 27 4.078 12.988 4.280 1.00 0.65 C ATOM 0 H THR A 27 -0.042 12.837 2.833 1.00 0.25 H new ATOM 0 HA THR A 27 1.443 14.422 4.510 1.00 0.23 H new ATOM 0 HB THR A 27 2.464 11.612 4.405 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.550 12.683 6.336 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.768 12.353 4.837 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.210 12.817 3.212 1.00 0.65 H new ATOM 0 HG23 THR A 27 4.283 14.034 4.508 1.00 0.65 H new ATOM 428 N ARG A 28 3.012 14.913 2.493 1.00 0.26 N ATOM 429 CA ARG A 28 3.588 15.378 1.234 1.00 0.29 C ATOM 430 C ARG A 28 5.110 15.323 1.294 1.00 0.29 C ATOM 431 O ARG A 28 5.708 15.705 2.301 1.00 0.39 O ATOM 432 CB ARG A 28 3.133 16.813 0.932 1.00 0.36 C ATOM 433 CG ARG A 28 3.732 17.851 1.872 1.00 0.44 C ATOM 434 CD ARG A 28 3.393 19.270 1.445 1.00 0.57 C ATOM 435 NE ARG A 28 1.960 19.549 1.534 1.00 0.66 N ATOM 436 CZ ARG A 28 1.295 19.715 2.684 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.936 19.644 3.849 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.010 19.962 2.662 1.00 1.12 N ATOM 0 H ARG A 28 3.338 15.419 3.316 1.00 0.26 H new ATOM 0 HA ARG A 28 3.240 14.722 0.437 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.405 17.064 -0.093 1.00 0.36 H new ATOM 0 HB3 ARG A 28 2.046 16.862 0.995 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.364 17.679 2.883 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.815 17.731 1.902 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.938 19.976 2.072 1.00 0.57 H new ATOM 0 HD3 ARG A 28 3.729 19.429 0.420 1.00 0.57 H new ATOM 0 HE ARG A 28 1.433 19.622 0.664 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.939 19.462 3.869 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.424 19.771 4.722 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.502 20.025 1.771 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.520 20.089 3.536 1.00 1.12 H new ATOM 452 N ASP A 29 5.726 14.847 0.222 1.00 0.27 N ATOM 453 CA ASP A 29 7.183 14.756 0.145 1.00 0.29 C ATOM 454 C ASP A 29 7.613 14.491 -1.293 1.00 0.30 C ATOM 455 O ASP A 29 6.771 14.256 -2.164 1.00 0.37 O ATOM 456 CB ASP A 29 7.718 13.656 1.073 1.00 0.31 C ATOM 457 CG ASP A 29 9.114 13.957 1.594 1.00 0.39 C ATOM 458 OD1 ASP A 29 10.044 14.115 0.777 1.00 0.47 O ATOM 459 OD2 ASP A 29 9.285 14.050 2.829 1.00 0.53 O ATOM 0 H ASP A 29 5.240 14.516 -0.612 1.00 0.27 H new ATOM 0 HA ASP A 29 7.603 15.706 0.474 1.00 0.29 H new ATOM 0 HB2 ASP A 29 7.038 13.535 1.916 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.732 12.708 0.536 1.00 0.31 H new ATOM 464 N ARG A 30 8.915 14.508 -1.538 1.00 0.35 N ATOM 465 CA ARG A 30 9.446 14.285 -2.874 1.00 0.39 C ATOM 466 C ARG A 30 9.577 12.794 -3.161 1.00 0.37 C ATOM 467 O ARG A 30 10.683 12.262 -3.254 1.00 0.41 O ATOM 468 CB ARG A 30 10.805 14.976 -3.033 1.00 0.48 C ATOM 469 CG ARG A 30 11.344 14.944 -4.454 1.00 0.53 C ATOM 470 CD ARG A 30 10.444 15.714 -5.405 1.00 0.62 C ATOM 471 NE ARG A 30 10.715 15.400 -6.806 1.00 0.72 N ATOM 472 CZ ARG A 30 9.905 15.724 -7.818 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.773 16.391 -7.588 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.223 15.374 -9.061 1.00 1.02 N ATOM 0 H ARG A 30 9.626 14.675 -0.825 1.00 0.35 H new ATOM 0 HA ARG A 30 8.748 14.715 -3.593 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.715 16.014 -2.711 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.526 14.498 -2.370 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.347 15.370 -4.474 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.430 13.910 -4.789 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.402 15.486 -5.179 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.579 16.783 -5.243 1.00 0.62 H new ATOM 0 HE ARG A 30 11.578 14.902 -7.025 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.522 16.656 -6.636 1.00 1.07 H new ATOM 0 HH12 ARG A 30 8.158 16.636 -8.364 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.085 14.859 -9.241 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.605 15.621 -9.834 1.00 1.02 H new ATOM 488 N SER A 31 8.438 12.119 -3.268 1.00 0.44 N ATOM 489 CA SER A 31 8.407 10.683 -3.550 1.00 0.51 C ATOM 490 C SER A 31 8.916 9.842 -2.368 1.00 0.51 C ATOM 491 O SER A 31 8.960 8.613 -2.454 1.00 0.86 O ATOM 492 CB SER A 31 9.227 10.374 -4.810 1.00 0.65 C ATOM 493 OG SER A 31 8.938 11.304 -5.848 1.00 0.74 O ATOM 0 H SER A 31 7.517 12.544 -3.163 1.00 0.44 H new ATOM 0 HA SER A 31 7.365 10.410 -3.715 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.290 10.407 -4.573 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.008 9.362 -5.152 1.00 0.65 H new ATOM 0 HG SER A 31 9.474 11.088 -6.640 1.00 0.74 H new ATOM 499 N ASP A 32 9.279 10.490 -1.261 1.00 0.47 N ATOM 500 CA ASP A 32 9.774 9.771 -0.092 1.00 0.47 C ATOM 501 C ASP A 32 8.676 9.673 0.958 1.00 0.49 C ATOM 502 O ASP A 32 8.245 10.684 1.505 1.00 1.05 O ATOM 503 CB ASP A 32 11.012 10.460 0.499 1.00 0.57 C ATOM 504 CG ASP A 32 12.311 10.018 -0.158 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.568 8.801 -0.227 1.00 1.11 O ATOM 506 OD2 ASP A 32 13.092 10.894 -0.590 1.00 0.83 O ATOM 0 H ASP A 32 9.239 11.503 -1.151 1.00 0.47 H new ATOM 0 HA ASP A 32 10.064 8.768 -0.405 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.906 11.539 0.391 1.00 0.57 H new ATOM 0 HB3 ASP A 32 11.062 10.250 1.567 1.00 0.57 H new ATOM 511 N GLN A 33 8.218 8.451 1.210 1.00 0.35 N ATOM 512 CA GLN A 33 7.161 8.199 2.189 1.00 0.34 C ATOM 513 C GLN A 33 7.569 8.704 3.591 1.00 0.35 C ATOM 514 O GLN A 33 7.550 9.904 3.851 1.00 0.54 O ATOM 515 CB GLN A 33 6.833 6.695 2.197 1.00 0.45 C ATOM 516 CG GLN A 33 5.750 6.279 3.181 1.00 0.53 C ATOM 517 CD GLN A 33 6.169 5.088 4.019 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.330 4.981 4.428 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.240 4.181 4.270 1.00 0.82 N ATOM 0 H GLN A 33 8.565 7.611 0.746 1.00 0.35 H new ATOM 0 HA GLN A 33 6.265 8.752 1.907 1.00 0.34 H new ATOM 0 HB2 GLN A 33 6.524 6.400 1.194 1.00 0.45 H new ATOM 0 HB3 GLN A 33 7.743 6.141 2.426 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.514 7.118 3.836 1.00 0.53 H new ATOM 0 HG3 GLN A 33 4.839 6.035 2.635 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.293 4.309 3.913 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.470 3.354 4.821 1.00 0.82 H new ATOM 528 N HIS A 34 7.940 7.793 4.491 1.00 0.34 N ATOM 529 CA HIS A 34 8.355 8.176 5.840 1.00 0.39 C ATOM 530 C HIS A 34 9.831 8.570 5.838 1.00 0.37 C ATOM 531 O HIS A 34 10.267 9.423 6.612 1.00 0.50 O ATOM 532 CB HIS A 34 8.112 7.017 6.816 1.00 0.48 C ATOM 533 CG HIS A 34 8.750 7.201 8.159 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.836 6.464 8.582 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.437 8.032 9.181 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.161 6.834 9.808 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.328 7.781 10.193 1.00 0.95 N ATOM 0 H HIS A 34 7.962 6.789 4.311 1.00 0.34 H new ATOM 0 HA HIS A 34 7.764 9.032 6.165 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.038 6.890 6.951 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.489 6.096 6.370 1.00 0.48 H new ATOM 0 HD1 HIS A 34 10.313 5.747 8.035 1.00 0.86 H new ATOM 0 HD2 HIS A 34 7.636 8.756 9.196 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.972 6.429 10.396 1.00 0.99 H new ATOM 546 N ILE A 35 10.582 7.923 4.958 1.00 0.31 N ATOM 547 CA ILE A 35 12.011 8.159 4.798 1.00 0.34 C ATOM 548 C ILE A 35 12.430 7.704 3.404 1.00 0.33 C ATOM 549 O ILE A 35 13.122 8.415 2.687 1.00 0.40 O ATOM 550 CB ILE A 35 12.848 7.402 5.859 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.636 8.013 7.249 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.327 7.415 5.486 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.395 7.307 8.353 1.00 0.51 C ATOM 0 H ILE A 35 10.213 7.211 4.328 1.00 0.31 H new ATOM 0 HA ILE A 35 12.197 9.225 4.932 1.00 0.34 H new ATOM 0 HB ILE A 35 12.511 6.366 5.885 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.939 9.060 7.225 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.572 7.995 7.484 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.898 6.878 6.244 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.463 6.931 4.519 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.679 8.445 5.429 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.193 7.798 9.305 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.075 6.266 8.407 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.464 7.348 8.143 1.00 0.51 H new ATOM 565 N GLN A 36 11.997 6.494 3.052 1.00 0.29 N ATOM 566 CA GLN A 36 12.278 5.894 1.757 1.00 0.30 C ATOM 567 C GLN A 36 11.454 4.614 1.617 1.00 0.30 C ATOM 568 O GLN A 36 11.657 3.663 2.373 1.00 0.64 O ATOM 569 CB GLN A 36 13.774 5.587 1.637 1.00 0.37 C ATOM 570 CG GLN A 36 14.161 4.866 0.359 1.00 0.40 C ATOM 571 CD GLN A 36 15.589 4.361 0.403 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.517 5.045 -0.029 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.775 3.163 0.938 1.00 0.61 N ATOM 0 H GLN A 36 11.437 5.901 3.665 1.00 0.29 H new ATOM 0 HA GLN A 36 12.007 6.586 0.960 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.331 6.522 1.696 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.078 4.980 2.490 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.484 4.027 0.197 1.00 0.40 H new ATOM 0 HG3 GLN A 36 14.041 5.541 -0.489 1.00 0.40 H new ATOM 0 HE21 GLN A 36 14.977 2.630 1.284 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.716 2.774 1.004 1.00 0.61 H new ATOM 582 N LEU A 37 10.499 4.603 0.697 1.00 0.27 N ATOM 583 CA LEU A 37 9.657 3.429 0.495 1.00 0.25 C ATOM 584 C LEU A 37 10.241 2.547 -0.600 1.00 0.22 C ATOM 585 O LEU A 37 10.574 3.029 -1.686 1.00 0.26 O ATOM 586 CB LEU A 37 8.223 3.841 0.141 1.00 0.33 C ATOM 587 CG LEU A 37 7.118 2.929 0.683 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.754 3.573 0.491 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.164 1.566 0.006 1.00 0.53 C ATOM 0 H LEU A 37 10.288 5.388 0.081 1.00 0.27 H new ATOM 0 HA LEU A 37 9.628 2.862 1.426 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.052 4.851 0.515 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.134 3.884 -0.945 1.00 0.33 H new ATOM 0 HG LEU A 37 7.286 2.786 1.750 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.981 2.911 0.882 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.722 4.523 1.024 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.580 3.747 -0.571 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.371 0.934 0.406 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.024 1.688 -1.068 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.130 1.098 0.195 1.00 0.53 H new ATOM 601 N GLN A 38 10.384 1.265 -0.297 1.00 0.23 N ATOM 602 CA GLN A 38 10.937 0.303 -1.239 1.00 0.27 C ATOM 603 C GLN A 38 9.901 -0.757 -1.603 1.00 0.24 C ATOM 604 O GLN A 38 9.266 -1.347 -0.726 1.00 0.32 O ATOM 605 CB GLN A 38 12.175 -0.373 -0.641 1.00 0.38 C ATOM 606 CG GLN A 38 13.413 0.511 -0.632 1.00 0.51 C ATOM 607 CD GLN A 38 14.326 0.228 0.545 1.00 0.62 C ATOM 608 OE1 GLN A 38 13.866 -0.032 1.655 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.629 0.266 0.316 1.00 0.75 N ATOM 0 H GLN A 38 10.122 0.864 0.603 1.00 0.23 H new ATOM 0 HA GLN A 38 11.221 0.841 -2.144 1.00 0.27 H new ATOM 0 HB2 GLN A 38 11.952 -0.680 0.381 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.391 -1.279 -1.206 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.966 0.364 -1.559 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.107 1.557 -0.606 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.977 0.485 -0.618 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.286 0.076 1.073 1.00 0.75 H new ATOM 618 N LEU A 39 9.723 -0.976 -2.896 1.00 0.24 N ATOM 619 CA LEU A 39 8.791 -1.977 -3.389 1.00 0.24 C ATOM 620 C LEU A 39 9.435 -2.708 -4.560 1.00 0.26 C ATOM 621 O LEU A 39 9.382 -2.241 -5.700 1.00 0.34 O ATOM 622 CB LEU A 39 7.469 -1.326 -3.812 1.00 0.26 C ATOM 623 CG LEU A 39 6.309 -2.297 -4.047 1.00 0.34 C ATOM 624 CD1 LEU A 39 4.982 -1.560 -3.993 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.465 -3.012 -5.381 1.00 0.41 C ATOM 0 H LEU A 39 10.217 -0.468 -3.629 1.00 0.24 H new ATOM 0 HA LEU A 39 8.564 -2.689 -2.596 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.173 -0.611 -3.045 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.638 -0.759 -4.728 1.00 0.26 H new ATOM 0 HG LEU A 39 6.324 -3.045 -3.255 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.167 -2.264 -4.162 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.863 -1.096 -3.014 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.962 -0.790 -4.764 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.630 -3.697 -5.527 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.478 -2.279 -6.187 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.399 -3.573 -5.386 1.00 0.41 H new ATOM 637 N SER A 40 10.074 -3.839 -4.267 1.00 0.25 N ATOM 638 CA SER A 40 10.760 -4.618 -5.292 1.00 0.28 C ATOM 639 C SER A 40 11.447 -5.845 -4.694 1.00 0.29 C ATOM 640 O SER A 40 11.266 -6.149 -3.514 1.00 0.38 O ATOM 641 CB SER A 40 11.793 -3.733 -5.999 1.00 0.36 C ATOM 642 OG SER A 40 11.240 -3.153 -7.167 1.00 0.55 O ATOM 0 H SER A 40 10.130 -4.235 -3.329 1.00 0.25 H new ATOM 0 HA SER A 40 10.019 -4.968 -6.010 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.131 -2.948 -5.322 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.669 -4.326 -6.261 1.00 0.36 H new ATOM 0 HG SER A 40 10.427 -2.658 -6.933 1.00 0.55 H new ATOM 648 N ALA A 41 12.214 -6.551 -5.529 1.00 0.33 N ATOM 649 CA ALA A 41 12.957 -7.737 -5.106 1.00 0.37 C ATOM 650 C ALA A 41 12.046 -8.957 -5.030 1.00 0.36 C ATOM 651 O ALA A 41 12.144 -9.764 -4.106 1.00 0.76 O ATOM 652 CB ALA A 41 13.663 -7.501 -3.774 1.00 0.46 C ATOM 0 H ALA A 41 12.336 -6.316 -6.514 1.00 0.33 H new ATOM 0 HA ALA A 41 13.721 -7.934 -5.858 1.00 0.37 H new ATOM 0 HB1 ALA A 41 14.207 -8.401 -3.486 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.362 -6.671 -3.875 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.925 -7.262 -3.008 1.00 0.46 H new ATOM 658 N GLU A 42 11.164 -9.084 -6.014 1.00 0.35 N ATOM 659 CA GLU A 42 10.232 -10.203 -6.081 1.00 0.30 C ATOM 660 C GLU A 42 9.977 -10.582 -7.541 1.00 0.33 C ATOM 661 O GLU A 42 10.521 -9.950 -8.452 1.00 0.51 O ATOM 662 CB GLU A 42 8.916 -9.849 -5.379 1.00 0.32 C ATOM 663 CG GLU A 42 8.994 -9.891 -3.861 1.00 0.54 C ATOM 664 CD GLU A 42 9.343 -11.266 -3.329 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.741 -12.260 -3.784 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.224 -11.366 -2.452 1.00 1.05 O ATOM 0 H GLU A 42 11.075 -8.420 -6.783 1.00 0.35 H new ATOM 0 HA GLU A 42 10.672 -11.058 -5.568 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.608 -8.851 -5.689 1.00 0.32 H new ATOM 0 HB3 GLU A 42 8.141 -10.540 -5.712 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.741 -9.174 -3.520 1.00 0.54 H new ATOM 0 HG3 GLU A 42 8.037 -9.577 -3.444 1.00 0.54 H new ATOM 673 N SER A 43 9.161 -11.604 -7.764 1.00 0.31 N ATOM 674 CA SER A 43 8.858 -12.053 -9.118 1.00 0.38 C ATOM 675 C SER A 43 7.843 -11.109 -9.774 1.00 0.34 C ATOM 676 O SER A 43 7.441 -10.112 -9.177 1.00 0.61 O ATOM 677 CB SER A 43 8.330 -13.492 -9.088 1.00 0.52 C ATOM 678 OG SER A 43 6.924 -13.533 -8.884 1.00 1.04 O ATOM 0 H SER A 43 8.698 -12.137 -7.028 1.00 0.31 H new ATOM 0 HA SER A 43 9.771 -12.036 -9.713 1.00 0.38 H new ATOM 0 HB2 SER A 43 8.576 -13.989 -10.026 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.829 -14.046 -8.293 1.00 0.52 H new ATOM 0 HG SER A 43 6.722 -14.098 -8.109 1.00 1.04 H new ATOM 684 N VAL A 44 7.440 -11.412 -11.005 1.00 0.39 N ATOM 685 CA VAL A 44 6.467 -10.581 -11.706 1.00 0.39 C ATOM 686 C VAL A 44 5.101 -10.672 -11.024 1.00 0.36 C ATOM 687 O VAL A 44 4.502 -11.749 -10.951 1.00 0.59 O ATOM 688 CB VAL A 44 6.340 -10.965 -13.202 1.00 0.52 C ATOM 689 CG1 VAL A 44 5.950 -12.428 -13.371 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.340 -10.057 -13.908 1.00 0.58 C ATOM 0 H VAL A 44 7.769 -12.220 -11.534 1.00 0.39 H new ATOM 0 HA VAL A 44 6.828 -9.554 -11.660 1.00 0.39 H new ATOM 0 HB VAL A 44 7.318 -10.827 -13.663 1.00 0.52 H new ATOM 0 HG11 VAL A 44 5.870 -12.663 -14.432 1.00 0.60 H new ATOM 0 HG12 VAL A 44 6.710 -13.062 -12.915 1.00 0.60 H new ATOM 0 HG13 VAL A 44 4.990 -12.607 -12.886 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.266 -10.344 -14.957 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.363 -10.155 -13.435 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.675 -9.022 -13.837 1.00 0.58 H new ATOM 700 N GLY A 45 4.624 -9.543 -10.512 1.00 0.32 N ATOM 701 CA GLY A 45 3.342 -9.507 -9.830 1.00 0.33 C ATOM 702 C GLY A 45 3.509 -9.408 -8.326 1.00 0.28 C ATOM 703 O GLY A 45 3.012 -8.469 -7.697 1.00 0.33 O ATOM 0 H GLY A 45 5.106 -8.645 -10.557 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.763 -8.656 -10.189 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.774 -10.405 -10.075 1.00 0.33 H new ATOM 707 N GLU A 46 4.214 -10.378 -7.748 1.00 0.27 N ATOM 708 CA GLU A 46 4.465 -10.398 -6.311 1.00 0.28 C ATOM 709 C GLU A 46 5.498 -9.336 -5.966 1.00 0.24 C ATOM 710 O GLU A 46 6.521 -9.226 -6.639 1.00 0.31 O ATOM 711 CB GLU A 46 4.959 -11.780 -5.867 1.00 0.39 C ATOM 712 CG GLU A 46 4.043 -12.917 -6.292 1.00 0.51 C ATOM 713 CD GLU A 46 4.708 -14.275 -6.208 1.00 0.64 C ATOM 714 OE1 GLU A 46 5.762 -14.472 -6.848 1.00 0.86 O ATOM 715 OE2 GLU A 46 4.170 -15.163 -5.519 1.00 0.82 O ATOM 0 H GLU A 46 4.622 -11.163 -8.256 1.00 0.27 H new ATOM 0 HA GLU A 46 3.534 -10.185 -5.785 1.00 0.28 H new ATOM 0 HB2 GLU A 46 5.953 -11.951 -6.280 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.058 -11.790 -4.782 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.153 -12.915 -5.662 1.00 0.51 H new ATOM 0 HG3 GLU A 46 3.709 -12.744 -7.315 1.00 0.51 H new ATOM 722 N VAL A 47 5.232 -8.547 -4.934 1.00 0.22 N ATOM 723 CA VAL A 47 6.152 -7.493 -4.543 1.00 0.25 C ATOM 724 C VAL A 47 6.318 -7.393 -3.028 1.00 0.23 C ATOM 725 O VAL A 47 5.385 -7.656 -2.259 1.00 0.29 O ATOM 726 CB VAL A 47 5.702 -6.121 -5.088 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.826 -6.079 -6.606 1.00 0.35 C ATOM 728 CG2 VAL A 47 4.274 -5.804 -4.657 1.00 0.35 C ATOM 0 H VAL A 47 4.393 -8.617 -4.358 1.00 0.22 H new ATOM 0 HA VAL A 47 7.114 -7.763 -4.979 1.00 0.25 H new ATOM 0 HB VAL A 47 6.359 -5.359 -4.668 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.504 -5.104 -6.971 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.864 -6.248 -6.891 1.00 0.35 H new ATOM 0 HG13 VAL A 47 5.198 -6.855 -7.044 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.981 -4.832 -5.054 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.600 -6.570 -5.040 1.00 0.35 H new ATOM 0 HG23 VAL A 47 4.219 -5.783 -3.569 1.00 0.35 H new ATOM 738 N TYR A 48 7.523 -7.016 -2.619 1.00 0.22 N ATOM 739 CA TYR A 48 7.865 -6.835 -1.214 1.00 0.22 C ATOM 740 C TYR A 48 7.862 -5.342 -0.902 1.00 0.22 C ATOM 741 O TYR A 48 8.635 -4.583 -1.494 1.00 0.29 O ATOM 742 CB TYR A 48 9.239 -7.452 -0.932 1.00 0.25 C ATOM 743 CG TYR A 48 9.766 -7.226 0.469 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.396 -8.058 1.517 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.651 -6.189 0.738 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.892 -7.864 2.792 1.00 0.66 C ATOM 747 CE2 TYR A 48 11.148 -5.986 2.009 1.00 0.74 C ATOM 748 CZ TYR A 48 10.768 -6.825 3.033 1.00 0.72 C ATOM 749 OH TYR A 48 11.271 -6.624 4.300 1.00 0.92 O ATOM 0 H TYR A 48 8.296 -6.826 -3.257 1.00 0.22 H new ATOM 0 HA TYR A 48 7.135 -7.335 -0.577 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.183 -8.525 -1.114 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.957 -7.045 -1.644 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.709 -8.871 1.333 1.00 0.49 H new ATOM 0 HD2 TYR A 48 10.955 -5.530 -0.062 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.596 -8.522 3.596 1.00 0.66 H new ATOM 0 HE2 TYR A 48 11.832 -5.173 2.200 1.00 0.74 H new ATOM 0 HH TYR A 48 10.530 -6.513 4.932 1.00 0.92 H new ATOM 759 N ILE A 49 6.988 -4.926 0.005 1.00 0.21 N ATOM 760 CA ILE A 49 6.871 -3.516 0.358 1.00 0.22 C ATOM 761 C ILE A 49 7.636 -3.184 1.638 1.00 0.23 C ATOM 762 O ILE A 49 7.314 -3.680 2.717 1.00 0.37 O ATOM 763 CB ILE A 49 5.391 -3.096 0.521 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.582 -3.536 -0.705 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.288 -1.587 0.720 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.106 -3.216 -0.612 1.00 0.38 C ATOM 0 H ILE A 49 6.351 -5.543 0.509 1.00 0.21 H new ATOM 0 HA ILE A 49 7.312 -2.954 -0.465 1.00 0.22 H new ATOM 0 HB ILE A 49 4.979 -3.587 1.403 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.993 -3.054 -1.592 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.703 -4.611 -0.842 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.241 -1.306 0.833 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.840 -1.300 1.615 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.709 -1.076 -0.146 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.602 -3.558 -1.516 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.678 -3.720 0.255 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.973 -2.139 -0.507 1.00 0.38 H new ATOM 778 N LYS A 50 8.642 -2.330 1.506 1.00 0.21 N ATOM 779 CA LYS A 50 9.460 -1.914 2.633 1.00 0.25 C ATOM 780 C LYS A 50 9.339 -0.408 2.851 1.00 0.21 C ATOM 781 O LYS A 50 9.516 0.379 1.919 1.00 0.26 O ATOM 782 CB LYS A 50 10.926 -2.298 2.393 1.00 0.34 C ATOM 783 CG LYS A 50 11.926 -1.497 3.219 1.00 0.49 C ATOM 784 CD LYS A 50 11.887 -1.878 4.693 1.00 0.73 C ATOM 785 CE LYS A 50 12.896 -2.969 5.019 1.00 1.35 C ATOM 786 NZ LYS A 50 14.284 -2.576 4.655 1.00 1.74 N ATOM 0 H LYS A 50 8.912 -1.908 0.617 1.00 0.21 H new ATOM 0 HA LYS A 50 9.105 -2.425 3.528 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.053 -3.357 2.616 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.156 -2.165 1.336 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.931 -1.660 2.829 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.713 -0.433 3.114 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.093 -0.998 5.302 1.00 0.73 H new ATOM 0 HD3 LYS A 50 10.885 -2.219 4.954 1.00 0.73 H new ATOM 0 HE2 LYS A 50 12.852 -3.196 6.084 1.00 1.35 H new ATOM 0 HE3 LYS A 50 12.627 -3.881 4.487 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 14.960 -3.188 5.155 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.416 -2.679 3.629 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 14.447 -1.585 4.927 1.00 1.74 H new ATOM 800 N SER A 51 9.023 -0.016 4.077 1.00 0.24 N ATOM 801 CA SER A 51 8.894 1.390 4.422 1.00 0.25 C ATOM 802 C SER A 51 10.101 1.832 5.244 1.00 0.25 C ATOM 803 O SER A 51 10.306 1.347 6.354 1.00 0.33 O ATOM 804 CB SER A 51 7.596 1.632 5.202 1.00 0.32 C ATOM 805 OG SER A 51 6.454 1.477 4.369 1.00 0.53 O ATOM 0 H SER A 51 8.851 -0.656 4.852 1.00 0.24 H new ATOM 0 HA SER A 51 8.856 1.978 3.505 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.536 0.934 6.037 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.606 2.636 5.625 1.00 0.32 H new ATOM 0 HG SER A 51 6.589 0.715 3.767 1.00 0.53 H new ATOM 811 N THR A 52 10.906 2.735 4.684 1.00 0.24 N ATOM 812 CA THR A 52 12.099 3.236 5.360 1.00 0.28 C ATOM 813 C THR A 52 13.223 2.203 5.264 1.00 0.28 C ATOM 814 O THR A 52 13.070 1.072 5.726 1.00 0.34 O ATOM 815 CB THR A 52 11.822 3.577 6.846 1.00 0.32 C ATOM 816 OG1 THR A 52 10.683 4.457 6.957 1.00 0.35 O ATOM 817 CG2 THR A 52 13.037 4.229 7.491 1.00 0.38 C ATOM 0 H THR A 52 10.751 3.135 3.759 1.00 0.24 H new ATOM 0 HA THR A 52 12.400 4.157 4.860 1.00 0.28 H new ATOM 0 HB THR A 52 11.608 2.645 7.369 1.00 0.32 H new ATOM 0 HG1 THR A 52 9.987 4.025 7.496 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.816 4.458 8.534 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.885 3.547 7.441 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.280 5.150 6.961 1.00 0.38 H new ATOM 825 N GLU A 53 14.340 2.603 4.648 1.00 0.31 N ATOM 826 CA GLU A 53 15.502 1.726 4.466 1.00 0.35 C ATOM 827 C GLU A 53 15.646 0.742 5.627 1.00 0.31 C ATOM 828 O GLU A 53 15.545 -0.475 5.439 1.00 0.37 O ATOM 829 CB GLU A 53 16.775 2.571 4.331 1.00 0.43 C ATOM 830 CG GLU A 53 17.998 1.781 3.890 1.00 0.47 C ATOM 831 CD GLU A 53 17.860 1.233 2.485 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.117 1.981 1.519 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.480 0.052 2.335 1.00 0.74 O ATOM 0 H GLU A 53 14.464 3.539 4.263 1.00 0.31 H new ATOM 0 HA GLU A 53 15.351 1.148 3.555 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.593 3.371 3.613 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.987 3.045 5.289 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.878 2.422 3.942 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.163 0.956 4.583 1.00 0.47 H new ATOM 840 N THR A 54 15.864 1.274 6.823 1.00 0.28 N ATOM 841 CA THR A 54 16.016 0.451 8.011 1.00 0.31 C ATOM 842 C THR A 54 15.235 1.039 9.184 1.00 0.33 C ATOM 843 O THR A 54 15.622 2.074 9.736 1.00 0.52 O ATOM 844 CB THR A 54 17.503 0.329 8.399 1.00 0.40 C ATOM 845 OG1 THR A 54 18.109 1.630 8.436 1.00 0.63 O ATOM 846 CG2 THR A 54 18.253 -0.551 7.411 1.00 0.68 C ATOM 0 H THR A 54 15.939 2.277 6.994 1.00 0.28 H new ATOM 0 HA THR A 54 15.621 -0.539 7.781 1.00 0.31 H new ATOM 0 HB THR A 54 17.559 -0.130 9.386 1.00 0.40 H new ATOM 0 HG1 THR A 54 17.504 2.260 8.881 1.00 0.63 H new ATOM 0 HG21 THR A 54 19.300 -0.621 7.707 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.811 -1.547 7.403 1.00 0.68 H new ATOM 0 HG23 THR A 54 18.187 -0.117 6.414 1.00 0.68 H new ATOM 854 N GLY A 55 14.133 0.395 9.555 1.00 0.39 N ATOM 855 CA GLY A 55 13.339 0.879 10.669 1.00 0.44 C ATOM 856 C GLY A 55 11.908 0.377 10.646 1.00 0.42 C ATOM 857 O GLY A 55 11.465 -0.287 11.583 1.00 0.76 O ATOM 0 H GLY A 55 13.777 -0.449 9.107 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.810 0.572 11.603 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.335 1.969 10.657 1.00 0.44 H new ATOM 861 N GLN A 56 11.185 0.685 9.577 1.00 0.34 N ATOM 862 CA GLN A 56 9.794 0.270 9.456 1.00 0.30 C ATOM 863 C GLN A 56 9.666 -0.969 8.574 1.00 0.27 C ATOM 864 O GLN A 56 10.569 -1.295 7.797 1.00 0.38 O ATOM 865 CB GLN A 56 8.936 1.419 8.909 1.00 0.37 C ATOM 866 CG GLN A 56 8.551 2.450 9.958 1.00 0.49 C ATOM 867 CD GLN A 56 7.551 1.911 10.964 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.341 2.022 10.774 1.00 1.02 O ATOM 869 NE2 GLN A 56 8.048 1.321 12.043 1.00 0.89 N ATOM 0 H GLN A 56 11.538 1.219 8.783 1.00 0.34 H new ATOM 0 HA GLN A 56 9.430 0.011 10.450 1.00 0.30 H new ATOM 0 HB2 GLN A 56 9.481 1.917 8.107 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.028 1.005 8.469 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.447 2.781 10.483 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.129 3.325 9.464 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.058 1.248 12.165 1.00 0.89 H new ATOM 0 HE22 GLN A 56 7.420 0.940 12.751 1.00 0.89 H new ATOM 878 N TYR A 57 8.545 -1.660 8.715 1.00 0.24 N ATOM 879 CA TYR A 57 8.272 -2.875 7.959 1.00 0.23 C ATOM 880 C TYR A 57 6.787 -2.943 7.608 1.00 0.25 C ATOM 881 O TYR A 57 5.953 -3.224 8.468 1.00 0.42 O ATOM 882 CB TYR A 57 8.680 -4.088 8.797 1.00 0.26 C ATOM 883 CG TYR A 57 8.555 -5.420 8.093 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.375 -6.149 8.150 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.628 -5.962 7.396 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.263 -7.374 7.524 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.527 -7.189 6.774 1.00 0.73 C ATOM 888 CZ TYR A 57 8.344 -7.892 6.839 1.00 0.79 C ATOM 889 OH TYR A 57 8.243 -9.127 6.232 1.00 1.03 O ATOM 0 H TYR A 57 7.798 -1.395 9.357 1.00 0.24 H new ATOM 0 HA TYR A 57 8.846 -2.871 7.032 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.714 -3.959 9.117 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.067 -4.111 9.698 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.531 -5.751 8.693 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.557 -5.413 7.340 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.335 -7.924 7.570 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.372 -7.597 6.238 1.00 0.73 H new ATOM 0 HH TYR A 57 9.091 -9.345 5.792 1.00 1.03 H new ATOM 899 N LEU A 58 6.466 -2.666 6.350 1.00 0.20 N ATOM 900 CA LEU A 58 5.083 -2.677 5.885 1.00 0.22 C ATOM 901 C LEU A 58 4.513 -4.093 5.931 1.00 0.23 C ATOM 902 O LEU A 58 4.991 -4.986 5.228 1.00 0.30 O ATOM 903 CB LEU A 58 5.000 -2.113 4.459 1.00 0.27 C ATOM 904 CG LEU A 58 3.636 -1.550 4.043 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.578 -2.646 4.016 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.214 -0.423 4.976 1.00 0.38 C ATOM 0 H LEU A 58 7.148 -2.430 5.630 1.00 0.20 H new ATOM 0 HA LEU A 58 4.489 -2.047 6.547 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.744 -1.323 4.357 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.275 -2.903 3.760 1.00 0.27 H new ATOM 0 HG LEU A 58 3.731 -1.147 3.035 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.620 -2.220 3.718 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.870 -3.416 3.302 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.486 -3.087 5.008 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.244 -0.037 4.664 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.143 -0.802 5.996 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.953 0.378 4.937 1.00 0.38 H new ATOM 918 N ALA A 59 3.494 -4.292 6.758 1.00 0.23 N ATOM 919 CA ALA A 59 2.860 -5.593 6.898 1.00 0.27 C ATOM 920 C ALA A 59 1.342 -5.460 6.929 1.00 0.24 C ATOM 921 O ALA A 59 0.800 -4.456 7.410 1.00 0.26 O ATOM 922 CB ALA A 59 3.357 -6.290 8.156 1.00 0.35 C ATOM 0 H ALA A 59 3.088 -3.563 7.344 1.00 0.23 H new ATOM 0 HA ALA A 59 3.129 -6.197 6.032 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.874 -7.263 8.248 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.437 -6.425 8.094 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.117 -5.682 9.028 1.00 0.35 H new ATOM 928 N MET A 60 0.660 -6.473 6.408 1.00 0.28 N ATOM 929 CA MET A 60 -0.798 -6.484 6.373 1.00 0.30 C ATOM 930 C MET A 60 -1.371 -7.111 7.643 1.00 0.26 C ATOM 931 O MET A 60 -0.720 -7.935 8.290 1.00 0.44 O ATOM 932 CB MET A 60 -1.301 -7.258 5.144 1.00 0.40 C ATOM 933 CG MET A 60 -1.122 -8.767 5.250 1.00 0.73 C ATOM 934 SD MET A 60 -1.597 -9.636 3.739 1.00 0.93 S ATOM 935 CE MET A 60 -0.164 -9.335 2.703 1.00 1.97 C ATOM 0 H MET A 60 1.096 -7.301 6.002 1.00 0.28 H new ATOM 0 HA MET A 60 -1.137 -5.450 6.310 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.358 -7.037 4.995 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.773 -6.900 4.260 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.080 -8.989 5.479 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.718 -9.142 6.082 1.00 0.73 H new ATOM 0 HE1 MET A 60 -0.482 -9.222 1.667 1.00 1.97 H new ATOM 0 HE2 MET A 60 0.337 -8.424 3.031 1.00 1.97 H new ATOM 0 HE3 MET A 60 0.525 -10.176 2.781 1.00 1.97 H new ATOM 945 N ASP A 61 -2.582 -6.705 8.004 1.00 0.30 N ATOM 946 CA ASP A 61 -3.255 -7.243 9.181 1.00 0.31 C ATOM 947 C ASP A 61 -4.156 -8.408 8.784 1.00 0.29 C ATOM 948 O ASP A 61 -4.793 -8.376 7.725 1.00 0.34 O ATOM 949 CB ASP A 61 -4.086 -6.168 9.879 1.00 0.42 C ATOM 950 CG ASP A 61 -4.650 -6.654 11.197 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.726 -7.281 11.183 1.00 0.96 O ATOM 952 OD2 ASP A 61 -4.014 -6.418 12.246 1.00 0.94 O ATOM 0 H ASP A 61 -3.120 -6.002 7.497 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.490 -7.594 9.874 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.468 -5.287 10.052 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.903 -5.861 9.226 1.00 0.42 H new ATOM 957 N THR A 62 -4.208 -9.427 9.636 1.00 0.37 N ATOM 958 CA THR A 62 -5.019 -10.612 9.381 1.00 0.44 C ATOM 959 C THR A 62 -6.505 -10.260 9.208 1.00 0.41 C ATOM 960 O THR A 62 -7.215 -10.905 8.433 1.00 0.50 O ATOM 961 CB THR A 62 -4.850 -11.653 10.516 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.104 -12.978 10.022 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.780 -11.357 11.686 1.00 0.74 C ATOM 0 H THR A 62 -3.693 -9.455 10.516 1.00 0.37 H new ATOM 0 HA THR A 62 -4.664 -11.047 8.446 1.00 0.44 H new ATOM 0 HB THR A 62 -3.821 -11.589 10.870 1.00 0.59 H new ATOM 0 HG1 THR A 62 -4.992 -13.625 10.749 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.635 -12.106 12.464 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.556 -10.369 12.088 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.815 -11.384 11.344 1.00 0.74 H new ATOM 971 N ASP A 63 -6.970 -9.234 9.918 1.00 0.36 N ATOM 972 CA ASP A 63 -8.367 -8.821 9.835 1.00 0.41 C ATOM 973 C ASP A 63 -8.585 -7.918 8.630 1.00 0.40 C ATOM 974 O ASP A 63 -9.454 -8.176 7.796 1.00 0.65 O ATOM 975 CB ASP A 63 -8.798 -8.096 11.114 1.00 0.47 C ATOM 976 CG ASP A 63 -10.186 -7.490 10.993 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.157 -8.250 10.788 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.312 -6.253 11.116 1.00 0.75 O ATOM 0 H ASP A 63 -6.401 -8.676 10.555 1.00 0.36 H new ATOM 0 HA ASP A 63 -8.976 -9.717 9.721 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.781 -8.796 11.949 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.079 -7.309 11.343 1.00 0.47 H new ATOM 983 N GLY A 64 -7.788 -6.862 8.539 1.00 0.45 N ATOM 984 CA GLY A 64 -7.905 -5.936 7.431 1.00 0.50 C ATOM 985 C GLY A 64 -7.345 -4.576 7.769 1.00 0.43 C ATOM 986 O GLY A 64 -8.096 -3.638 8.036 1.00 0.64 O ATOM 0 H GLY A 64 -7.060 -6.630 9.215 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.380 -6.339 6.565 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.954 -5.837 7.151 1.00 0.50 H new ATOM 990 N LEU A 65 -6.024 -4.475 7.770 1.00 0.40 N ATOM 991 CA LEU A 65 -5.338 -3.229 8.087 1.00 0.34 C ATOM 992 C LEU A 65 -3.900 -3.286 7.569 1.00 0.33 C ATOM 993 O LEU A 65 -3.367 -4.374 7.346 1.00 0.60 O ATOM 994 CB LEU A 65 -5.363 -3.006 9.608 1.00 0.37 C ATOM 995 CG LEU A 65 -5.285 -1.548 10.093 1.00 0.71 C ATOM 996 CD1 LEU A 65 -3.839 -1.105 10.267 1.00 1.23 C ATOM 997 CD2 LEU A 65 -6.024 -0.612 9.143 1.00 1.16 C ATOM 0 H LEU A 65 -5.399 -5.251 7.552 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.844 -2.394 7.603 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.279 -3.447 10.002 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.530 -3.556 10.046 1.00 0.37 H new ATOM 0 HG LEU A 65 -5.774 -1.498 11.066 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -3.814 -0.071 10.610 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -3.349 -1.743 11.002 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -3.317 -1.183 9.313 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -5.952 0.411 9.511 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -5.577 -0.673 8.151 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -7.073 -0.904 9.087 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.299 -2.124 7.343 1.00 0.37 N ATOM 1010 CA LEU A 66 -1.922 -2.046 6.862 1.00 0.36 C ATOM 1011 C LEU A 66 -1.066 -1.257 7.847 1.00 0.34 C ATOM 1012 O LEU A 66 -1.393 -0.119 8.186 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.865 -1.394 5.477 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.561 -2.173 4.357 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.053 -1.882 4.349 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.943 -1.833 3.010 1.00 0.61 C ATOM 0 H LEU A 66 -3.745 -1.218 7.486 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.530 -3.060 6.781 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.315 -0.403 5.541 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.820 -1.252 5.203 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.422 -3.238 4.541 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.529 -2.445 3.546 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.486 -2.176 5.305 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.215 -0.816 4.190 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.449 -2.395 2.225 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.051 -0.765 2.819 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.885 -2.095 3.019 1.00 0.61 H new ATOM 1028 N TYR A 67 0.024 -1.865 8.303 1.00 0.28 N ATOM 1029 CA TYR A 67 0.918 -1.223 9.263 1.00 0.33 C ATOM 1030 C TYR A 67 2.378 -1.400 8.863 1.00 0.30 C ATOM 1031 O TYR A 67 2.703 -2.251 8.035 1.00 0.32 O ATOM 1032 CB TYR A 67 0.687 -1.786 10.671 1.00 0.43 C ATOM 1033 CG TYR A 67 0.520 -3.291 10.719 1.00 0.41 C ATOM 1034 CD1 TYR A 67 -0.723 -3.868 10.512 1.00 0.45 C ATOM 1035 CD2 TYR A 67 1.599 -4.128 10.975 1.00 0.55 C ATOM 1036 CE1 TYR A 67 -0.890 -5.236 10.554 1.00 0.55 C ATOM 1037 CE2 TYR A 67 1.440 -5.499 11.019 1.00 0.65 C ATOM 1038 CZ TYR A 67 0.191 -6.047 10.807 1.00 0.63 C ATOM 1039 OH TYR A 67 0.018 -7.413 10.852 1.00 0.80 O ATOM 0 H TYR A 67 0.311 -2.803 8.023 1.00 0.28 H new ATOM 0 HA TYR A 67 0.692 -0.157 9.265 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.528 -1.505 11.305 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.202 -1.319 11.095 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -1.576 -3.235 10.314 1.00 0.45 H new ATOM 0 HD2 TYR A 67 2.576 -3.700 11.142 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -1.866 -5.669 10.389 1.00 0.55 H new ATOM 0 HE2 TYR A 67 2.287 -6.138 11.218 1.00 0.65 H new ATOM 0 HH TYR A 67 -0.100 -7.758 9.942 1.00 0.80 H new ATOM 1049 N GLY A 68 3.251 -0.592 9.458 1.00 0.34 N ATOM 1050 CA GLY A 68 4.667 -0.667 9.151 1.00 0.38 C ATOM 1051 C GLY A 68 5.521 -1.034 10.358 1.00 0.52 C ATOM 1052 O GLY A 68 6.745 -0.894 10.315 1.00 1.27 O ATOM 0 H GLY A 68 3.001 0.115 10.149 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.824 -1.405 8.365 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.999 0.294 8.757 1.00 0.38 H new ATOM 1056 N SER A 69 4.887 -1.514 11.426 1.00 0.36 N ATOM 1057 CA SER A 69 5.604 -1.895 12.637 1.00 0.39 C ATOM 1058 C SER A 69 6.576 -3.043 12.355 1.00 0.32 C ATOM 1059 O SER A 69 6.159 -4.173 12.085 1.00 0.37 O ATOM 1060 CB SER A 69 4.604 -2.287 13.727 1.00 0.51 C ATOM 1061 OG SER A 69 3.590 -1.302 13.849 1.00 1.23 O ATOM 0 H SER A 69 3.877 -1.648 11.475 1.00 0.36 H new ATOM 0 HA SER A 69 6.188 -1.042 12.983 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.156 -3.251 13.488 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.122 -2.404 14.679 1.00 0.51 H new ATOM 0 HG SER A 69 3.916 -0.564 14.404 1.00 1.23 H new ATOM 1067 N GLN A 70 7.874 -2.732 12.424 1.00 0.31 N ATOM 1068 CA GLN A 70 8.945 -3.699 12.164 1.00 0.33 C ATOM 1069 C GLN A 70 8.606 -5.087 12.706 1.00 0.32 C ATOM 1070 O GLN A 70 8.772 -5.357 13.899 1.00 0.45 O ATOM 1071 CB GLN A 70 10.257 -3.204 12.777 1.00 0.43 C ATOM 1072 CG GLN A 70 11.481 -3.454 11.906 1.00 0.61 C ATOM 1073 CD GLN A 70 11.721 -4.926 11.613 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.333 -5.801 12.388 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.372 -5.209 10.493 1.00 1.29 N ATOM 0 H GLN A 70 8.213 -1.800 12.662 1.00 0.31 H new ATOM 0 HA GLN A 70 9.055 -3.786 11.083 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.175 -2.135 12.971 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.403 -3.693 13.740 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.364 -2.918 10.964 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.360 -3.041 12.400 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.677 -4.456 9.876 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.567 -6.180 10.248 1.00 1.29 H new ATOM 1084 N THR A 71 8.121 -5.952 11.817 1.00 0.29 N ATOM 1085 CA THR A 71 7.762 -7.318 12.170 1.00 0.33 C ATOM 1086 C THR A 71 7.830 -8.224 10.932 1.00 0.30 C ATOM 1087 O THR A 71 6.825 -8.430 10.251 1.00 0.38 O ATOM 1088 CB THR A 71 6.342 -7.393 12.777 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.161 -6.349 13.746 1.00 0.52 O ATOM 1090 CG2 THR A 71 6.105 -8.749 13.433 1.00 0.58 C ATOM 0 H THR A 71 7.967 -5.723 10.835 1.00 0.29 H new ATOM 0 HA THR A 71 8.477 -7.660 12.918 1.00 0.33 H new ATOM 0 HB THR A 71 5.621 -7.264 11.970 1.00 0.43 H new ATOM 0 HG1 THR A 71 5.981 -5.503 13.285 1.00 0.52 H new ATOM 0 HG21 THR A 71 5.100 -8.779 13.853 1.00 0.58 H new ATOM 0 HG22 THR A 71 6.210 -9.537 12.688 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.835 -8.901 14.228 1.00 0.58 H new ATOM 1098 N PRO A 72 9.027 -8.758 10.612 1.00 0.30 N ATOM 1099 CA PRO A 72 9.228 -9.635 9.449 1.00 0.33 C ATOM 1100 C PRO A 72 8.218 -10.783 9.412 1.00 0.31 C ATOM 1101 O PRO A 72 8.128 -11.563 10.362 1.00 0.44 O ATOM 1102 CB PRO A 72 10.658 -10.177 9.635 1.00 0.44 C ATOM 1103 CG PRO A 72 11.042 -9.813 11.030 1.00 0.50 C ATOM 1104 CD PRO A 72 10.273 -8.570 11.362 1.00 0.41 C ATOM 0 HA PRO A 72 9.089 -9.100 8.510 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.691 -11.256 9.487 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.343 -9.735 8.911 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.800 -10.618 11.724 1.00 0.50 H new ATOM 0 HG3 PRO A 72 12.115 -9.639 11.106 1.00 0.50 H new ATOM 0 HD2 PRO A 72 10.092 -8.479 12.433 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.803 -7.670 11.050 1.00 0.41 H new ATOM 1112 N ASN A 73 7.456 -10.882 8.322 1.00 0.28 N ATOM 1113 CA ASN A 73 6.458 -11.939 8.187 1.00 0.31 C ATOM 1114 C ASN A 73 5.920 -12.003 6.758 1.00 0.28 C ATOM 1115 O ASN A 73 5.971 -11.015 6.021 1.00 0.31 O ATOM 1116 CB ASN A 73 5.300 -11.707 9.168 1.00 0.38 C ATOM 1117 CG ASN A 73 4.556 -12.986 9.507 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.554 -13.943 8.733 1.00 1.01 O ATOM 1119 ND2 ASN A 73 3.914 -13.011 10.667 1.00 1.26 N ATOM 0 H ASN A 73 7.511 -10.247 7.526 1.00 0.28 H new ATOM 0 HA ASN A 73 6.940 -12.889 8.419 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.689 -11.264 10.085 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.602 -10.989 8.737 1.00 0.38 H new ATOM 0 HD21 ASN A 73 3.395 -13.844 10.945 1.00 1.26 H new ATOM 0 HD22 ASN A 73 3.939 -12.197 11.282 1.00 1.26 H new ATOM 1126 N GLU A 74 5.387 -13.165 6.385 1.00 0.28 N ATOM 1127 CA GLU A 74 4.829 -13.378 5.045 1.00 0.30 C ATOM 1128 C GLU A 74 3.827 -12.279 4.696 1.00 0.28 C ATOM 1129 O GLU A 74 3.677 -11.899 3.531 1.00 0.31 O ATOM 1130 CB GLU A 74 4.138 -14.743 4.966 1.00 0.37 C ATOM 1131 CG GLU A 74 5.021 -15.911 5.367 1.00 0.45 C ATOM 1132 CD GLU A 74 4.223 -17.174 5.614 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.429 -17.200 6.581 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.381 -18.141 4.846 1.00 0.79 O ATOM 0 H GLU A 74 5.328 -13.981 6.995 1.00 0.28 H new ATOM 0 HA GLU A 74 5.650 -13.348 4.329 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.258 -14.730 5.609 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.786 -14.901 3.947 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.755 -16.095 4.583 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.576 -15.652 6.269 1.00 0.45 H new ATOM 1141 N GLU A 75 3.150 -11.769 5.720 1.00 0.28 N ATOM 1142 CA GLU A 75 2.162 -10.707 5.559 1.00 0.30 C ATOM 1143 C GLU A 75 2.736 -9.477 4.835 1.00 0.34 C ATOM 1144 O GLU A 75 1.984 -8.581 4.451 1.00 0.60 O ATOM 1145 CB GLU A 75 1.616 -10.298 6.931 1.00 0.37 C ATOM 1146 CG GLU A 75 0.487 -11.191 7.439 1.00 0.49 C ATOM 1147 CD GLU A 75 0.688 -12.661 7.117 1.00 0.53 C ATOM 1148 OE1 GLU A 75 1.567 -13.305 7.732 1.00 1.21 O ATOM 1149 OE2 GLU A 75 -0.044 -13.187 6.256 1.00 1.26 O ATOM 0 H GLU A 75 3.270 -12.080 6.684 1.00 0.28 H new ATOM 0 HA GLU A 75 1.357 -11.100 4.938 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.431 -10.313 7.655 1.00 0.37 H new ATOM 0 HB3 GLU A 75 1.257 -9.270 6.876 1.00 0.37 H new ATOM 0 HG2 GLU A 75 0.398 -11.072 8.519 1.00 0.49 H new ATOM 0 HG3 GLU A 75 -0.454 -10.857 7.003 1.00 0.49 H new ATOM 1156 N CYS A 76 4.060 -9.424 4.667 1.00 0.25 N ATOM 1157 CA CYS A 76 4.708 -8.312 3.978 1.00 0.28 C ATOM 1158 C CYS A 76 4.701 -8.506 2.453 1.00 0.28 C ATOM 1159 O CYS A 76 5.055 -7.591 1.704 1.00 0.36 O ATOM 1160 CB CYS A 76 6.147 -8.167 4.479 1.00 0.31 C ATOM 1161 SG CYS A 76 6.915 -6.579 4.086 1.00 0.49 S ATOM 0 H CYS A 76 4.703 -10.142 5.001 1.00 0.25 H new ATOM 0 HA CYS A 76 4.146 -7.405 4.198 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.159 -8.305 5.560 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.751 -8.966 4.049 1.00 0.31 H new ATOM 0 HG CYS A 76 6.130 -5.613 4.461 1.00 0.49 H new ATOM 1167 N LEU A 77 4.297 -9.690 1.991 1.00 0.27 N ATOM 1168 CA LEU A 77 4.262 -9.975 0.560 1.00 0.31 C ATOM 1169 C LEU A 77 2.922 -9.569 -0.045 1.00 0.25 C ATOM 1170 O LEU A 77 1.867 -10.079 0.349 1.00 0.31 O ATOM 1171 CB LEU A 77 4.534 -11.461 0.297 1.00 0.41 C ATOM 1172 CG LEU A 77 6.004 -11.887 0.423 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.880 -11.079 -0.524 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.492 -11.736 1.859 1.00 0.58 C ATOM 0 H LEU A 77 3.992 -10.461 2.584 1.00 0.27 H new ATOM 0 HA LEU A 77 5.046 -9.387 0.083 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.940 -12.052 0.994 1.00 0.41 H new ATOM 0 HB3 LEU A 77 4.186 -11.706 -0.706 1.00 0.41 H new ATOM 0 HG LEU A 77 6.075 -12.939 0.147 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.918 -11.396 -0.419 1.00 0.76 H new ATOM 0 HD12 LEU A 77 6.553 -11.242 -1.551 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.798 -10.020 -0.281 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.536 -12.044 1.923 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.402 -10.694 2.166 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.888 -12.362 2.516 1.00 0.58 H new ATOM 1186 N PHE A 78 2.968 -8.654 -1.007 1.00 0.21 N ATOM 1187 CA PHE A 78 1.762 -8.172 -1.663 1.00 0.21 C ATOM 1188 C PHE A 78 1.856 -8.342 -3.177 1.00 0.19 C ATOM 1189 O PHE A 78 2.934 -8.600 -3.720 1.00 0.23 O ATOM 1190 CB PHE A 78 1.523 -6.694 -1.334 1.00 0.26 C ATOM 1191 CG PHE A 78 1.322 -6.416 0.129 1.00 0.29 C ATOM 1192 CD1 PHE A 78 2.407 -6.324 0.987 1.00 0.32 C ATOM 1193 CD2 PHE A 78 0.048 -6.236 0.645 1.00 0.46 C ATOM 1194 CE1 PHE A 78 2.225 -6.060 2.331 1.00 0.38 C ATOM 1195 CE2 PHE A 78 -0.140 -5.971 1.988 1.00 0.53 C ATOM 1196 CZ PHE A 78 0.951 -5.883 2.832 1.00 0.45 C ATOM 0 H PHE A 78 3.831 -8.231 -1.349 1.00 0.21 H new ATOM 0 HA PHE A 78 0.926 -8.765 -1.292 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.373 -6.112 -1.690 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.647 -6.348 -1.882 1.00 0.26 H new ATOM 0 HD1 PHE A 78 3.406 -6.460 0.600 1.00 0.32 H new ATOM 0 HD2 PHE A 78 -0.808 -6.304 -0.010 1.00 0.46 H new ATOM 0 HE1 PHE A 78 3.079 -5.992 2.989 1.00 0.38 H new ATOM 0 HE2 PHE A 78 -1.138 -5.833 2.378 1.00 0.53 H new ATOM 0 HZ PHE A 78 0.807 -5.676 3.882 1.00 0.45 H new ATOM 1206 N LEU A 79 0.720 -8.207 -3.848 1.00 0.21 N ATOM 1207 CA LEU A 79 0.655 -8.318 -5.301 1.00 0.21 C ATOM 1208 C LEU A 79 0.383 -6.936 -5.893 1.00 0.20 C ATOM 1209 O LEU A 79 -0.632 -6.314 -5.570 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.460 -9.292 -5.705 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.326 -9.933 -7.092 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.247 -8.875 -8.185 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.888 -10.850 -7.137 1.00 0.35 C ATOM 0 H LEU A 79 -0.179 -8.018 -3.404 1.00 0.21 H new ATOM 0 HA LEU A 79 1.603 -8.699 -5.682 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.506 -10.088 -4.962 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.411 -8.761 -5.663 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.219 -10.531 -7.276 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -0.153 -9.361 -9.156 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.152 -8.268 -8.170 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.620 -8.238 -8.013 1.00 0.34 H new ATOM 0 HD21 LEU A 79 0.970 -11.297 -8.128 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.788 -10.273 -6.924 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.777 -11.637 -6.391 1.00 0.35 H new ATOM 1225 N GLU A 80 1.292 -6.450 -6.735 1.00 0.21 N ATOM 1226 CA GLU A 80 1.136 -5.136 -7.354 1.00 0.22 C ATOM 1227 C GLU A 80 0.585 -5.276 -8.770 1.00 0.22 C ATOM 1228 O GLU A 80 1.212 -5.896 -9.632 1.00 0.35 O ATOM 1229 CB GLU A 80 2.474 -4.386 -7.373 1.00 0.28 C ATOM 1230 CG GLU A 80 2.371 -2.960 -7.898 1.00 0.33 C ATOM 1231 CD GLU A 80 3.664 -2.177 -7.738 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.670 -2.528 -8.387 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.679 -1.190 -6.969 1.00 0.45 O ATOM 0 H GLU A 80 2.142 -6.945 -7.004 1.00 0.21 H new ATOM 0 HA GLU A 80 0.426 -4.559 -6.761 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.881 -4.363 -6.362 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.182 -4.940 -7.989 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.095 -2.985 -8.952 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.570 -2.441 -7.371 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.597 -4.712 -9.003 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.235 -4.777 -10.312 1.00 0.23 C ATOM 1242 C ARG A 81 -1.384 -3.381 -10.917 1.00 0.20 C ATOM 1243 O ARG A 81 -2.317 -2.649 -10.586 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.607 -5.446 -10.192 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.254 -5.761 -11.530 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.729 -6.091 -11.369 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.234 -6.915 -12.465 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.525 -7.021 -12.796 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.452 -6.324 -12.138 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.886 -7.820 -13.795 1.00 1.02 N ATOM 0 H ARG A 81 -1.133 -4.204 -8.299 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.602 -5.370 -10.973 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.502 -6.370 -9.623 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.270 -4.795 -9.623 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.141 -4.909 -12.200 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.740 -6.602 -11.995 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.882 -6.613 -10.424 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.303 -5.166 -11.318 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.557 -7.444 -13.014 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -7.178 -5.704 -11.376 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.435 -6.411 -12.397 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -6.179 -8.349 -14.306 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.870 -7.904 -14.051 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.457 -3.014 -11.793 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.487 -1.709 -12.444 1.00 0.24 C ATOM 1266 C LEU A 82 -1.164 -1.815 -13.809 1.00 0.27 C ATOM 1267 O LEU A 82 -0.724 -2.585 -14.665 1.00 0.40 O ATOM 1268 CB LEU A 82 0.939 -1.167 -12.596 1.00 0.32 C ATOM 1269 CG LEU A 82 1.046 0.280 -13.089 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.476 1.245 -12.064 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.494 0.629 -13.402 1.00 0.54 C ATOM 0 H LEU A 82 0.328 -3.604 -12.070 1.00 0.22 H new ATOM 0 HA LEU A 82 -1.061 -1.019 -11.826 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.442 -1.242 -11.632 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.481 -1.810 -13.290 1.00 0.32 H new ATOM 0 HG LEU A 82 0.460 0.372 -14.004 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.563 2.265 -12.437 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.574 1.011 -11.889 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.029 1.152 -11.129 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.553 1.660 -13.751 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.098 0.516 -12.502 1.00 0.54 H new ATOM 0 HD23 LEU A 82 2.870 -0.038 -14.178 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.225 -1.036 -14.016 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.955 -1.063 -15.286 1.00 0.36 C ATOM 1285 C GLU A 83 -2.506 0.074 -16.212 1.00 0.44 C ATOM 1286 O GLU A 83 -3.259 0.513 -17.084 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.465 -0.980 -15.039 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.298 -1.608 -16.151 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.790 -1.464 -15.919 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.329 -2.147 -15.020 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -7.436 -0.670 -16.635 1.00 1.24 O ATOM 0 H GLU A 83 -2.597 -0.382 -13.327 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.729 -2.009 -15.779 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.699 -1.475 -14.097 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.750 0.066 -14.929 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -5.036 -1.144 -17.102 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.048 -2.666 -16.233 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.277 0.550 -16.012 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.695 1.624 -16.823 1.00 0.38 C ATOM 1300 C GLU A 84 -1.419 2.964 -16.656 1.00 0.31 C ATOM 1301 O GLU A 84 -0.786 3.976 -16.347 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.683 1.236 -18.306 1.00 0.50 C ATOM 1303 CG GLU A 84 -0.054 2.294 -19.200 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.071 1.914 -20.664 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -1.109 2.123 -21.327 1.00 1.14 O ATOM 1306 OE2 GLU A 84 0.960 1.419 -21.165 1.00 1.23 O ATOM 0 H GLU A 84 -0.655 0.202 -15.282 1.00 0.37 H new ATOM 0 HA GLU A 84 0.325 1.755 -16.462 1.00 0.38 H new ATOM 0 HB2 GLU A 84 -0.138 0.299 -18.425 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -1.706 1.054 -18.635 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -0.586 3.236 -19.068 1.00 0.90 H new ATOM 0 HG3 GLU A 84 0.976 2.462 -18.886 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.734 2.972 -16.871 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.530 4.199 -16.782 1.00 0.37 C ATOM 1315 C ASN A 85 -3.505 4.834 -15.385 1.00 0.29 C ATOM 1316 O ASN A 85 -4.505 4.824 -14.667 1.00 0.33 O ATOM 1317 CB ASN A 85 -4.975 3.938 -17.214 1.00 0.49 C ATOM 1318 CG ASN A 85 -5.788 5.220 -17.302 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.250 6.293 -17.581 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.088 5.119 -17.058 1.00 0.79 N ATOM 0 H ASN A 85 -3.274 2.140 -17.109 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.068 4.913 -17.464 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -4.978 3.440 -18.184 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.447 3.258 -16.505 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -7.680 5.948 -17.098 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.495 4.212 -16.830 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.347 5.382 -15.019 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.146 6.071 -13.739 1.00 0.33 C ATOM 1329 C HIS A 86 -2.969 5.462 -12.600 1.00 0.30 C ATOM 1330 O HIS A 86 -3.645 6.181 -11.855 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.469 7.565 -13.893 1.00 0.45 C ATOM 1332 CG HIS A 86 -3.918 7.866 -14.154 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -4.505 7.735 -15.394 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -4.894 8.311 -13.328 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -5.773 8.089 -15.319 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.038 8.443 -14.076 1.00 0.71 N ATOM 0 H HIS A 86 -1.513 5.362 -15.606 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.098 5.946 -13.468 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.160 8.086 -12.986 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -1.874 7.970 -14.711 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -4.032 7.414 -16.239 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -4.792 8.523 -12.274 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -6.477 8.089 -16.138 1.00 0.78 H new ATOM 1345 N TYR A 87 -2.903 4.141 -12.459 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.631 3.450 -11.401 1.00 0.34 C ATOM 1347 C TYR A 87 -3.172 1.995 -11.288 1.00 0.24 C ATOM 1348 O TYR A 87 -2.794 1.367 -12.284 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.153 3.534 -11.641 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.837 2.199 -11.881 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.039 1.300 -10.838 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.266 1.835 -13.150 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.649 0.081 -11.056 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -6.876 0.617 -13.374 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.064 -0.258 -12.324 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.666 -1.478 -12.542 1.00 1.27 O ATOM 0 H TYR A 87 -2.354 3.529 -13.063 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.412 3.945 -10.455 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.616 4.013 -10.779 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.336 4.179 -12.500 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.713 1.560 -9.842 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.120 2.516 -13.976 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -6.800 -0.604 -10.235 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.205 0.350 -14.367 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.842 -1.589 -13.500 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.188 1.478 -10.065 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.781 0.102 -9.800 1.00 0.20 C ATOM 1368 C ASN A 88 -3.607 -0.497 -8.661 1.00 0.20 C ATOM 1369 O ASN A 88 -4.251 0.232 -7.901 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.289 0.051 -9.454 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.026 0.060 -7.959 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.145 1.225 -7.342 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.745 -0.974 -7.362 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.480 1.995 -9.236 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.957 -0.488 -10.699 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.851 -0.848 -9.889 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.786 0.904 -9.911 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.663 -1.852 -7.874 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.594 -0.956 -6.353 1.00 0.24 H new ATOM 1380 N THR A 89 -3.589 -1.819 -8.557 1.00 0.23 N ATOM 1381 CA THR A 89 -4.323 -2.522 -7.515 1.00 0.26 C ATOM 1382 C THR A 89 -3.377 -3.378 -6.669 1.00 0.21 C ATOM 1383 O THR A 89 -2.420 -3.958 -7.190 1.00 0.25 O ATOM 1384 CB THR A 89 -5.433 -3.414 -8.115 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.200 -3.629 -9.518 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.803 -2.780 -7.909 1.00 0.72 C ATOM 0 H THR A 89 -3.069 -2.430 -9.187 1.00 0.23 H new ATOM 0 HA THR A 89 -4.789 -1.769 -6.879 1.00 0.26 H new ATOM 0 HB THR A 89 -5.412 -4.375 -7.601 1.00 0.34 H new ATOM 0 HG1 THR A 89 -6.052 -3.592 -10.001 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.570 -3.424 -8.339 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.990 -2.655 -6.842 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.831 -1.806 -8.398 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.641 -3.437 -5.367 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.824 -4.223 -4.447 1.00 0.21 C ATOM 1396 C TYR A 90 -3.682 -5.262 -3.734 1.00 0.23 C ATOM 1397 O TYR A 90 -4.801 -4.960 -3.313 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.164 -3.322 -3.399 1.00 0.27 C ATOM 1399 CG TYR A 90 -1.013 -2.483 -3.911 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.220 -3.057 -4.196 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.151 -1.112 -4.083 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.280 -2.288 -4.639 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.099 -0.339 -4.529 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.115 -0.927 -4.803 1.00 0.31 C ATOM 1405 OH TYR A 90 2.168 -0.147 -5.236 1.00 0.36 O ATOM 0 H TYR A 90 -4.418 -2.947 -4.923 1.00 0.21 H new ATOM 0 HA TYR A 90 -2.050 -4.721 -5.031 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.922 -2.658 -2.984 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.804 -3.945 -2.581 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.352 -4.121 -4.069 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.099 -0.643 -3.864 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.232 -2.749 -4.856 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.228 0.725 -4.663 1.00 0.31 H new ATOM 0 HH TYR A 90 2.864 -0.721 -5.619 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.154 -6.474 -3.592 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.867 -7.554 -2.914 1.00 0.26 C ATOM 1417 C ILE A 91 -2.912 -8.393 -2.066 1.00 0.27 C ATOM 1418 O ILE A 91 -1.715 -8.489 -2.368 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.608 -8.479 -3.909 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.662 -8.972 -5.008 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.809 -7.763 -4.511 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.294 -9.994 -5.932 1.00 0.31 C ATOM 0 H ILE A 91 -2.231 -6.734 -3.939 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.607 -7.079 -2.270 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.967 -9.350 -3.360 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.326 -8.119 -5.597 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.777 -9.409 -4.546 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.318 -8.429 -5.208 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.497 -7.475 -3.716 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.473 -6.871 -5.040 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.569 -10.300 -6.686 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.605 -10.864 -5.354 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.163 -9.554 -6.421 1.00 0.31 H new ATOM 1434 N SER A 92 -3.447 -8.987 -1.004 1.00 0.33 N ATOM 1435 CA SER A 92 -2.666 -9.823 -0.100 1.00 0.37 C ATOM 1436 C SER A 92 -2.229 -11.116 -0.791 1.00 0.31 C ATOM 1437 O SER A 92 -2.970 -12.101 -0.816 1.00 0.44 O ATOM 1438 CB SER A 92 -3.487 -10.138 1.153 1.00 0.50 C ATOM 1439 OG SER A 92 -4.058 -8.958 1.696 1.00 0.82 O ATOM 0 H SER A 92 -4.430 -8.903 -0.747 1.00 0.33 H new ATOM 0 HA SER A 92 -1.768 -9.277 0.189 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.276 -10.848 0.906 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.851 -10.615 1.899 1.00 0.50 H new ATOM 0 HG SER A 92 -3.565 -8.697 2.502 1.00 0.82 H new ATOM 1445 N LYS A 93 -1.019 -11.104 -1.339 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.465 -12.257 -2.047 1.00 0.31 C ATOM 1447 C LYS A 93 -0.660 -13.553 -1.255 1.00 0.29 C ATOM 1448 O LYS A 93 -1.300 -14.490 -1.732 1.00 0.35 O ATOM 1449 CB LYS A 93 1.026 -12.019 -2.334 1.00 0.42 C ATOM 1450 CG LYS A 93 1.744 -13.201 -2.972 1.00 0.55 C ATOM 1451 CD LYS A 93 2.186 -14.226 -1.933 1.00 0.74 C ATOM 1452 CE LYS A 93 3.160 -15.238 -2.516 1.00 0.80 C ATOM 1453 NZ LYS A 93 2.601 -15.939 -3.701 1.00 0.80 N ATOM 0 H LYS A 93 -0.394 -10.298 -1.306 1.00 0.31 H new ATOM 0 HA LYS A 93 -1.001 -12.369 -2.989 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.123 -11.154 -2.990 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.527 -11.767 -1.399 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.084 -13.679 -3.696 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.614 -12.843 -3.522 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.654 -13.713 -1.093 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.312 -14.747 -1.541 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.082 -14.731 -2.798 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.420 -15.971 -1.752 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 2.937 -16.923 -3.713 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 1.562 -15.928 -3.652 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 2.912 -15.457 -4.568 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.115 -13.597 -0.041 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.214 -14.789 0.805 1.00 0.31 C ATOM 1469 C LYS A 94 -1.667 -15.203 1.058 1.00 0.31 C ATOM 1470 O LYS A 94 -1.949 -16.384 1.267 1.00 0.56 O ATOM 1471 CB LYS A 94 0.499 -14.558 2.143 1.00 0.36 C ATOM 1472 CG LYS A 94 0.201 -15.632 3.184 1.00 0.55 C ATOM 1473 CD LYS A 94 1.041 -15.459 4.437 1.00 0.55 C ATOM 1474 CE LYS A 94 0.381 -16.111 5.641 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.195 -15.950 6.875 1.00 0.69 N ATOM 0 H LYS A 94 0.399 -12.823 0.380 1.00 0.28 H new ATOM 0 HA LYS A 94 0.273 -15.602 0.266 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.575 -14.519 1.971 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.204 -13.587 2.540 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.856 -15.597 3.448 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.390 -16.616 2.754 1.00 0.55 H new ATOM 0 HD2 LYS A 94 2.027 -15.896 4.279 1.00 0.55 H new ATOM 0 HD3 LYS A 94 1.191 -14.397 4.633 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.605 -15.672 5.797 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.230 -17.172 5.442 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.588 -16.075 7.710 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 1.952 -16.663 6.887 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.616 -14.999 6.892 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.586 -14.246 1.023 1.00 0.27 N ATOM 1490 CA HIS A 95 -3.993 -14.532 1.285 1.00 0.28 C ATOM 1491 C HIS A 95 -4.826 -14.416 0.009 1.00 0.27 C ATOM 1492 O HIS A 95 -5.912 -13.837 0.021 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.537 -13.588 2.362 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.780 -13.654 3.654 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.243 -14.314 4.771 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.575 -13.139 3.999 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.358 -14.201 5.744 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.338 -13.492 5.300 1.00 0.50 N ATOM 0 H HIS A 95 -2.384 -13.268 0.817 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.067 -15.558 1.645 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.509 -12.566 1.985 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.583 -13.829 2.550 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -1.922 -12.558 3.365 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.453 -14.618 6.736 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.507 -13.247 5.839 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.318 -14.985 -1.082 1.00 0.31 N ATOM 1508 CA ALA A 96 -5.014 -14.956 -2.370 1.00 0.35 C ATOM 1509 C ALA A 96 -6.498 -15.298 -2.213 1.00 0.34 C ATOM 1510 O ALA A 96 -7.354 -14.709 -2.877 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.352 -15.919 -3.345 1.00 0.44 C ATOM 0 H ALA A 96 -3.423 -15.474 -1.101 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.946 -13.942 -2.765 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.878 -15.889 -4.299 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.312 -15.628 -3.494 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.391 -16.930 -2.941 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.797 -16.243 -1.324 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.175 -16.667 -1.071 1.00 0.38 C ATOM 1519 C GLU A 97 -9.046 -15.489 -0.624 1.00 0.37 C ATOM 1520 O GLU A 97 -10.267 -15.512 -0.793 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.212 -17.779 -0.012 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.162 -18.864 -0.219 1.00 0.57 C ATOM 1523 CD GLU A 97 -6.953 -19.211 -1.681 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -7.869 -19.795 -2.295 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -5.872 -18.896 -2.222 1.00 0.93 O ATOM 0 H GLU A 97 -6.100 -16.733 -0.763 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.578 -17.054 -2.007 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -8.071 -17.334 0.973 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.201 -18.238 -0.016 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.216 -18.534 0.210 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.462 -19.761 0.323 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.414 -14.466 -0.051 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.118 -13.280 0.416 1.00 0.38 C ATOM 1534 C LYS A 98 -8.480 -12.027 -0.181 1.00 0.37 C ATOM 1535 O LYS A 98 -8.043 -11.128 0.543 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.092 -13.216 1.947 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.838 -14.358 2.623 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.885 -14.185 4.134 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.553 -12.875 4.529 1.00 0.78 C ATOM 1540 NZ LYS A 98 -11.480 -13.044 5.677 1.00 0.89 N ATOM 0 H LYS A 98 -7.406 -14.439 0.101 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.157 -13.334 0.091 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.055 -13.222 2.284 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.526 -12.270 2.269 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.854 -14.411 2.231 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.353 -15.303 2.380 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.427 -15.019 4.579 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.872 -14.213 4.535 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -9.788 -12.142 4.786 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.102 -12.477 3.676 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.912 -12.128 5.912 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -12.225 -13.724 5.424 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.952 -13.399 6.500 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.425 -11.981 -1.509 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.834 -10.851 -2.229 1.00 0.48 C ATOM 1556 C ASN A 99 -8.656 -9.571 -2.052 1.00 0.44 C ATOM 1557 O ASN A 99 -9.226 -9.041 -3.011 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.687 -11.180 -3.722 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.981 -11.674 -4.354 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.233 -12.876 -4.414 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -9.812 -10.754 -4.819 1.00 1.07 N ATOM 0 H ASN A 99 -8.785 -12.718 -2.115 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.846 -10.676 -1.802 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -7.347 -10.291 -4.252 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.915 -11.940 -3.846 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -10.696 -11.033 -5.245 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -9.568 -9.766 -4.751 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.704 -9.067 -0.827 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.448 -7.850 -0.532 1.00 0.32 C ATOM 1570 C TRP A 100 -8.591 -6.616 -0.800 1.00 0.32 C ATOM 1571 O TRP A 100 -7.499 -6.473 -0.245 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.940 -7.860 0.918 1.00 0.38 C ATOM 1573 CG TRP A 100 -11.003 -8.887 1.169 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.841 -10.112 1.746 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.393 -8.777 0.845 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.046 -10.772 1.797 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -13.013 -9.972 1.252 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -13.175 -7.781 0.252 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.377 -10.200 1.081 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.528 -8.008 0.084 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -15.116 -9.209 0.498 1.00 1.08 C ATOM 0 H TRP A 100 -8.237 -9.482 -0.021 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.316 -7.811 -1.190 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.096 -8.049 1.581 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.329 -6.874 1.171 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.903 -10.506 2.110 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.195 -11.706 2.179 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.730 -6.851 -0.069 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.834 -11.126 1.398 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -15.142 -7.246 -0.374 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -16.176 -9.356 0.354 1.00 1.08 H new ATOM 1592 N PHE A 101 -9.096 -5.738 -1.662 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.390 -4.511 -2.029 1.00 0.29 C ATOM 1594 C PHE A 101 -8.136 -3.621 -0.814 1.00 0.29 C ATOM 1595 O PHE A 101 -9.008 -3.456 0.046 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.186 -3.730 -3.080 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.424 -4.493 -4.352 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.420 -4.621 -5.298 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.654 -5.086 -4.599 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.637 -5.322 -6.468 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.876 -5.790 -5.769 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.865 -5.908 -6.703 1.00 0.64 C ATOM 0 H PHE A 101 -9.998 -5.854 -2.123 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.426 -4.803 -2.445 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -10.148 -3.443 -2.654 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.653 -2.808 -3.315 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.456 -4.167 -5.118 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.446 -4.997 -3.870 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.847 -5.412 -7.199 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.838 -6.246 -5.952 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.035 -6.458 -7.617 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.945 -3.036 -0.766 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.551 -2.155 0.331 1.00 0.35 C ATOM 1614 C VAL A 102 -7.215 -0.770 0.189 1.00 0.55 C ATOM 1615 O VAL A 102 -8.375 -0.676 -0.230 1.00 1.36 O ATOM 1616 CB VAL A 102 -5.006 -2.019 0.396 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.363 -3.370 0.675 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.452 -1.417 -0.892 1.00 0.82 C ATOM 0 H VAL A 102 -6.228 -3.157 -1.481 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.895 -2.601 1.264 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.762 -1.342 1.215 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.280 -3.256 0.717 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.725 -3.755 1.628 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.623 -4.068 -0.121 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.368 -1.334 -0.818 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.710 -2.059 -1.734 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.882 -0.427 -1.046 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.507 0.298 0.562 1.00 0.48 N ATOM 1629 CA GLY A 103 -7.057 1.635 0.438 1.00 0.46 C ATOM 1630 C GLY A 103 -7.349 2.271 1.780 1.00 0.41 C ATOM 1631 O GLY A 103 -8.147 1.742 2.566 1.00 0.59 O ATOM 0 H GLY A 103 -5.563 0.258 0.947 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.356 2.263 -0.113 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.975 1.593 -0.148 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.716 3.407 2.037 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.900 4.128 3.287 1.00 0.34 C ATOM 1637 C LEU A 104 -7.604 5.463 3.038 1.00 0.34 C ATOM 1638 O LEU A 104 -8.096 5.722 1.938 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.544 4.365 3.966 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.575 5.278 3.202 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.863 6.221 4.159 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.563 4.453 2.420 1.00 0.66 C ATOM 0 H LEU A 104 -6.065 3.852 1.390 1.00 0.37 H new ATOM 0 HA LEU A 104 -7.524 3.524 3.946 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.721 4.795 4.952 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -5.061 3.400 4.121 1.00 0.38 H new ATOM 0 HG LEU A 104 -5.153 5.873 2.495 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.180 6.860 3.599 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.598 6.839 4.675 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -3.300 5.641 4.890 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.886 5.119 1.886 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.992 3.830 3.108 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -4.086 3.818 1.705 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.653 6.299 4.070 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.275 7.613 3.981 1.00 0.41 C ATOM 1656 C LYS A 105 -7.374 8.638 4.664 1.00 0.32 C ATOM 1657 O LYS A 105 -6.609 8.282 5.561 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.660 7.601 4.639 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.669 8.533 3.982 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.158 7.991 2.647 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.467 8.643 2.217 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.284 10.051 1.769 1.00 0.60 N ATOM 0 H LYS A 105 -7.264 6.085 4.988 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.403 7.880 2.932 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -10.052 6.584 4.616 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.554 7.879 5.688 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.519 8.676 4.649 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.214 9.512 3.831 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.398 8.163 1.884 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.296 6.912 2.721 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.909 8.062 1.407 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.171 8.619 3.048 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -13.163 10.393 1.331 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -12.050 10.648 2.588 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.511 10.097 1.075 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.465 9.901 4.249 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.632 10.966 4.822 1.00 0.46 C ATOM 1678 C LYS A 106 -6.609 10.918 6.352 1.00 0.51 C ATOM 1679 O LYS A 106 -5.620 11.306 6.971 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.097 12.345 4.341 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.592 12.589 4.484 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.992 13.892 3.814 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.498 14.094 3.813 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.893 15.322 3.073 1.00 1.43 N ATOM 0 H LYS A 106 -8.105 10.215 3.519 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.614 10.796 4.471 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.561 13.111 4.901 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.820 12.463 3.293 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.144 11.761 4.039 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.861 12.620 5.540 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.515 14.726 4.329 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.625 13.899 2.788 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.980 13.227 3.361 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.856 14.158 4.840 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -11.928 15.423 3.096 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.454 16.152 3.519 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.574 15.250 2.086 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.701 10.455 6.953 1.00 0.53 N ATOM 1699 CA ASN A 107 -7.785 10.336 8.409 1.00 0.70 C ATOM 1700 C ASN A 107 -6.717 9.376 8.947 1.00 0.65 C ATOM 1701 O ASN A 107 -6.275 9.509 10.089 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.179 9.841 8.828 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.172 9.143 10.180 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -8.945 7.932 10.264 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -9.428 9.891 11.242 1.00 1.38 N ATOM 0 H ASN A 107 -8.540 10.156 6.457 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.611 11.325 8.833 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -9.865 10.687 8.864 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.559 9.155 8.071 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -9.443 9.470 12.171 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -9.611 10.888 11.131 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.307 8.417 8.120 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.316 7.442 8.535 1.00 0.55 C ATOM 1714 C GLY A 108 -5.922 6.058 8.688 1.00 0.52 C ATOM 1715 O GLY A 108 -5.338 5.061 8.259 1.00 1.00 O ATOM 0 H GLY A 108 -6.646 8.299 7.165 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.510 7.408 7.802 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -4.874 7.753 9.482 1.00 0.55 H new ATOM 1719 N SER A 109 -7.109 5.995 9.289 1.00 0.52 N ATOM 1720 CA SER A 109 -7.798 4.726 9.493 1.00 0.56 C ATOM 1721 C SER A 109 -8.121 4.066 8.149 1.00 0.51 C ATOM 1722 O SER A 109 -9.146 4.362 7.527 1.00 0.81 O ATOM 1723 CB SER A 109 -9.085 4.945 10.299 1.00 0.75 C ATOM 1724 OG SER A 109 -8.840 5.747 11.442 1.00 0.97 O ATOM 0 H SER A 109 -7.612 6.809 9.642 1.00 0.52 H new ATOM 0 HA SER A 109 -7.140 4.062 10.054 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.835 5.423 9.669 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.493 3.982 10.607 1.00 0.75 H new ATOM 0 HG SER A 109 -9.087 6.676 11.249 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.232 3.182 7.705 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.398 2.473 6.435 1.00 0.38 C ATOM 1732 C CYS A 110 -8.740 1.738 6.382 1.00 0.36 C ATOM 1733 O CYS A 110 -9.410 1.581 7.409 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.248 1.485 6.238 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.604 2.226 6.406 1.00 0.61 S ATOM 0 H CYS A 110 -6.381 2.936 8.210 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.385 3.207 5.630 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.347 0.678 6.964 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.334 1.036 5.248 1.00 0.47 H new ATOM 0 HG CYS A 110 -4.693 3.328 7.090 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.133 1.289 5.189 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.399 0.583 5.023 1.00 0.44 C ATOM 1743 C LYS A 111 -10.244 -0.636 4.114 1.00 0.47 C ATOM 1744 O LYS A 111 -10.404 -0.542 2.894 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.466 1.535 4.467 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.768 2.708 5.388 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.511 2.259 6.638 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.210 3.156 7.828 1.00 0.94 C ATOM 1749 NZ LYS A 111 -11.298 2.500 8.804 1.00 1.27 N ATOM 0 H LYS A 111 -8.595 1.402 4.330 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.717 0.226 6.003 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.134 1.917 3.501 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.385 0.976 4.290 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.837 3.197 5.673 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.366 3.447 4.854 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.584 2.261 6.444 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -12.233 1.233 6.877 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.759 4.084 7.477 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.142 3.423 8.326 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -11.132 3.139 9.608 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -11.731 1.619 9.146 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.392 2.284 8.341 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.911 -1.770 4.720 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.745 -3.025 3.990 1.00 0.36 C ATOM 1765 C ARG A 112 -10.744 -4.066 4.499 1.00 0.37 C ATOM 1766 O ARG A 112 -11.374 -4.770 3.710 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.314 -3.554 4.148 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.806 -4.338 2.944 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.515 -5.677 2.786 1.00 0.55 C ATOM 1770 NE ARG A 112 -8.049 -6.672 3.760 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.853 -7.424 4.531 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -10.178 -7.305 4.457 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -8.324 -8.310 5.373 1.00 1.57 N ATOM 0 H ARG A 112 -9.749 -1.847 5.724 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.933 -2.837 2.933 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.645 -2.713 4.330 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -8.269 -4.193 5.030 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.948 -3.745 2.041 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.734 -4.507 3.049 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.589 -5.533 2.903 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.352 -6.055 1.777 1.00 0.55 H new ATOM 0 HE ARG A 112 -7.042 -6.802 3.859 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.595 -6.636 3.809 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.776 -7.882 5.048 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -7.311 -8.416 5.431 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.932 -8.882 5.959 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.876 -4.162 5.823 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.795 -5.116 6.420 1.00 0.43 C ATOM 1789 C GLY A 113 -13.257 -4.683 6.355 1.00 0.41 C ATOM 1790 O GLY A 113 -14.126 -5.514 6.077 1.00 0.46 O ATOM 0 H GLY A 113 -10.360 -3.593 6.493 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.687 -6.076 5.915 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.517 -5.271 7.463 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.567 -3.387 6.594 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.948 -2.891 6.570 1.00 0.50 C ATOM 1796 C PRO A 114 -15.721 -3.362 5.342 1.00 0.41 C ATOM 1797 O PRO A 114 -16.739 -4.045 5.464 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.784 -1.370 6.540 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.470 -1.115 7.189 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.605 -2.313 6.898 1.00 0.52 C ATOM 0 HA PRO A 114 -15.519 -3.258 7.423 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.800 -0.991 5.518 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.593 -0.875 7.077 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -13.015 -0.205 6.798 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.589 -0.975 8.263 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.937 -2.127 6.057 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.979 -2.569 7.753 1.00 0.52 H new ATOM 1808 N ARG A 115 -15.219 -3.004 4.164 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.852 -3.369 2.901 1.00 0.39 C ATOM 1810 C ARG A 115 -15.170 -2.638 1.750 1.00 0.44 C ATOM 1811 O ARG A 115 -15.433 -1.456 1.513 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.351 -3.035 2.920 1.00 0.51 C ATOM 1813 CG ARG A 115 -18.014 -3.063 1.548 1.00 0.57 C ATOM 1814 CD ARG A 115 -19.083 -1.988 1.429 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.556 -0.644 1.698 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.319 0.452 1.814 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.636 0.380 1.623 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.760 1.623 2.115 1.00 1.47 N ATOM 0 H ARG A 115 -14.366 -2.455 4.058 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.744 -4.445 2.761 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.862 -3.743 3.572 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -17.486 -2.045 3.356 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.260 -2.917 0.774 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.460 -4.043 1.377 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.511 -2.014 0.427 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.892 -2.205 2.127 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.547 -0.538 1.803 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -21.069 -0.513 1.387 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.211 1.218 1.713 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.752 1.685 2.257 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.340 2.457 2.203 1.00 1.47 H new ATOM 1832 N THR A 116 -14.291 -3.337 1.048 1.00 0.36 N ATOM 1833 CA THR A 116 -13.576 -2.752 -0.069 1.00 0.38 C ATOM 1834 C THR A 116 -14.201 -3.206 -1.392 1.00 0.39 C ATOM 1835 O THR A 116 -14.395 -4.403 -1.622 1.00 0.51 O ATOM 1836 CB THR A 116 -12.073 -3.109 -0.014 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.298 -2.099 -0.673 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.799 -4.466 -0.644 1.00 0.58 C ATOM 0 H THR A 116 -14.057 -4.312 1.235 1.00 0.36 H new ATOM 0 HA THR A 116 -13.659 -1.667 -0.002 1.00 0.38 H new ATOM 0 HB THR A 116 -11.783 -3.159 1.035 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.345 -2.311 -0.588 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.733 -4.685 -0.588 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.356 -5.235 -0.108 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.112 -4.452 -1.688 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.541 -2.238 -2.238 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.164 -2.494 -3.538 1.00 0.39 C ATOM 1848 C HIS A 117 -15.704 -1.183 -4.094 1.00 0.36 C ATOM 1849 O HIS A 117 -15.299 -0.741 -5.169 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.303 -3.521 -3.426 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.941 -4.890 -3.922 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.808 -5.961 -3.881 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -14.798 -5.359 -4.478 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.215 -7.025 -4.390 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -14.997 -6.686 -4.760 1.00 0.89 N ATOM 0 H HIS A 117 -14.392 -1.248 -2.042 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.410 -2.908 -4.208 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.612 -3.593 -2.383 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.163 -3.157 -3.989 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -13.897 -4.793 -4.664 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.654 -8.007 -4.487 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.312 -7.310 -5.187 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.608 -0.560 -3.338 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.194 0.719 -3.729 1.00 0.41 C ATOM 1866 C TYR A 118 -16.194 1.843 -3.481 1.00 0.39 C ATOM 1867 O TYR A 118 -15.346 1.739 -2.590 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.479 0.996 -2.939 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.676 0.185 -3.387 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.384 0.533 -4.531 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -20.109 -0.912 -2.655 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -21.488 -0.193 -4.933 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -21.210 -1.643 -3.053 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.897 -1.279 -4.190 1.00 0.86 C ATOM 1875 OH TYR A 118 -23.000 -1.999 -4.584 1.00 1.05 O ATOM 0 H TYR A 118 -16.950 -0.923 -2.448 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.440 0.672 -4.790 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.293 0.794 -1.884 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.721 2.055 -3.023 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -20.066 1.384 -5.115 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -19.576 -1.198 -1.760 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -22.028 0.089 -5.825 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -21.532 -2.497 -2.475 1.00 0.87 H new ATOM 0 HH TYR A 118 -23.154 -2.733 -3.953 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.291 2.909 -4.266 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.391 4.032 -4.105 1.00 0.39 C ATOM 1887 C GLY A 119 -14.050 3.787 -4.765 1.00 0.37 C ATOM 1888 O GLY A 119 -13.436 2.733 -4.573 1.00 0.44 O ATOM 0 H GLY A 119 -16.978 3.015 -5.012 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.847 4.925 -4.532 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.242 4.227 -3.043 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.594 4.760 -5.541 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.319 4.652 -6.246 1.00 0.38 C ATOM 1894 C GLN A 120 -11.161 4.368 -5.288 1.00 0.37 C ATOM 1895 O GLN A 120 -10.157 3.789 -5.687 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.040 5.921 -7.054 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.976 6.093 -8.239 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.617 7.285 -9.103 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.824 7.173 -10.039 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.205 8.431 -8.804 1.00 1.00 N ATOM 0 H GLN A 120 -14.088 5.638 -5.700 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.398 3.807 -6.930 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.130 6.788 -6.399 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.011 5.897 -7.412 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -12.954 5.189 -8.848 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.997 6.208 -7.876 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.856 8.481 -8.020 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -13.008 9.265 -9.357 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.309 4.756 -4.019 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.261 4.525 -3.023 1.00 0.61 C ATOM 1911 C LYS A 121 -9.842 3.055 -3.004 1.00 0.58 C ATOM 1912 O LYS A 121 -8.707 2.736 -2.657 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.728 4.955 -1.621 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.721 4.000 -0.963 1.00 1.06 C ATOM 1915 CD LYS A 121 -11.073 3.154 0.133 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.676 1.773 -0.372 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.254 0.859 0.728 1.00 1.70 N ATOM 0 H LYS A 121 -12.138 5.228 -3.659 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.400 5.131 -3.304 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.855 5.053 -0.975 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.185 5.942 -1.691 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.545 4.573 -0.537 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.147 3.343 -1.721 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -10.191 3.668 0.514 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -11.766 3.049 0.968 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.517 1.330 -0.905 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -9.861 1.873 -1.089 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -9.821 0.005 0.323 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.562 1.343 1.336 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -11.084 0.591 1.294 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.767 2.164 -3.362 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.481 0.736 -3.376 1.00 0.65 C ATOM 1933 C ALA A 122 -9.638 0.351 -4.591 1.00 0.57 C ATOM 1934 O ALA A 122 -8.859 -0.598 -4.534 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.776 -0.065 -3.348 1.00 0.77 C ATOM 0 H ALA A 122 -11.716 2.408 -3.645 1.00 0.54 H new ATOM 0 HA ALA A 122 -9.904 0.500 -2.482 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.545 -1.130 -3.359 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.334 0.176 -2.443 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.377 0.185 -4.222 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.788 1.100 -5.683 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.051 0.826 -6.908 1.00 0.48 C ATOM 1943 C ILE A 123 -8.629 2.131 -7.588 1.00 0.41 C ATOM 1944 O ILE A 123 -9.181 2.516 -8.622 1.00 0.61 O ATOM 1945 CB ILE A 123 -9.882 -0.031 -7.901 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -10.361 -1.332 -7.243 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.071 -0.342 -9.151 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -11.667 -1.194 -6.489 1.00 0.79 C ATOM 0 H ILE A 123 -10.416 1.902 -5.740 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.163 0.259 -6.627 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.759 0.549 -8.188 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -10.476 -2.096 -8.012 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -9.592 -1.685 -6.556 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -9.671 -0.943 -9.834 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.787 0.589 -9.641 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.173 -0.895 -8.874 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -11.939 -2.155 -6.053 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -11.553 -0.455 -5.696 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.451 -0.872 -7.175 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.667 2.823 -6.984 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.164 4.080 -7.535 1.00 0.29 C ATOM 1962 C LEU A 124 -5.879 4.507 -6.822 1.00 0.26 C ATOM 1963 O LEU A 124 -5.756 5.642 -6.354 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.230 5.178 -7.429 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.973 6.418 -8.291 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.947 6.050 -9.768 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.027 7.482 -8.028 1.00 0.58 C ATOM 0 H LEU A 124 -7.220 2.536 -6.113 1.00 0.31 H new ATOM 0 HA LEU A 124 -6.934 3.924 -8.589 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.195 4.754 -7.708 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.307 5.488 -6.387 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.998 6.824 -8.020 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.763 6.945 -10.363 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -7.153 5.325 -9.948 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.906 5.616 -10.052 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.826 8.354 -8.650 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -10.013 7.084 -8.268 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -8.998 7.771 -6.977 1.00 0.58 H new ATOM 1979 N PHE A 125 -4.924 3.585 -6.743 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.646 3.854 -6.094 1.00 0.23 C ATOM 1981 C PHE A 125 -2.599 4.208 -7.140 1.00 0.17 C ATOM 1982 O PHE A 125 -2.421 3.475 -8.117 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.193 2.640 -5.279 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.260 2.095 -4.374 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.776 2.868 -3.349 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.750 0.811 -4.555 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.760 2.371 -2.519 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.733 0.309 -3.727 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.240 1.090 -2.707 1.00 0.54 C ATOM 0 H PHE A 125 -5.012 2.642 -7.122 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.768 4.698 -5.415 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.870 1.854 -5.962 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.326 2.918 -4.680 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.405 3.871 -3.197 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.358 0.197 -5.353 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.155 2.984 -1.722 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.106 -0.694 -3.876 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.010 0.700 -2.058 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.907 5.324 -6.937 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.892 5.780 -7.879 1.00 0.19 C ATOM 2001 C LEU A 126 0.478 5.877 -7.206 1.00 0.20 C ATOM 2002 O LEU A 126 0.819 6.900 -6.608 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.294 7.136 -8.472 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.331 7.708 -9.517 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.240 6.786 -10.725 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.773 9.105 -9.938 1.00 0.59 C ATOM 0 H LEU A 126 -2.031 5.931 -6.126 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.820 5.049 -8.684 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.280 7.037 -8.927 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.389 7.855 -7.659 1.00 0.32 H new ATOM 0 HG LEU A 126 0.660 7.780 -9.070 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.449 7.210 -11.455 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.123 5.808 -10.410 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.226 6.679 -11.176 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.079 9.498 -10.681 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.774 9.056 -10.367 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.783 9.761 -9.068 1.00 0.59 H new ATOM 2018 N PRO A 127 1.275 4.802 -7.272 1.00 0.21 N ATOM 2019 CA PRO A 127 2.606 4.767 -6.693 1.00 0.29 C ATOM 2020 C PRO A 127 3.667 5.191 -7.709 1.00 0.25 C ATOM 2021 O PRO A 127 3.338 5.663 -8.800 1.00 0.38 O ATOM 2022 CB PRO A 127 2.758 3.292 -6.326 1.00 0.42 C ATOM 2023 CG PRO A 127 1.966 2.554 -7.361 1.00 0.43 C ATOM 2024 CD PRO A 127 0.940 3.520 -7.912 1.00 0.32 C ATOM 0 HA PRO A 127 2.732 5.447 -5.850 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.805 2.988 -6.338 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.380 3.093 -5.323 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.617 2.189 -8.156 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.478 1.683 -6.923 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.000 3.589 -8.998 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.075 3.206 -7.668 1.00 0.32 H new ATOM 2032 N LEU A 128 4.938 5.040 -7.355 1.00 0.22 N ATOM 2033 CA LEU A 128 6.019 5.394 -8.266 1.00 0.21 C ATOM 2034 C LEU A 128 6.219 4.267 -9.281 1.00 0.23 C ATOM 2035 O LEU A 128 6.109 3.093 -8.929 1.00 0.26 O ATOM 2036 CB LEU A 128 7.320 5.661 -7.500 1.00 0.23 C ATOM 2037 CG LEU A 128 8.396 6.414 -8.289 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.934 7.826 -8.618 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.698 6.454 -7.512 1.00 0.37 C ATOM 0 H LEU A 128 5.243 4.678 -6.452 1.00 0.22 H new ATOM 0 HA LEU A 128 5.749 6.310 -8.791 1.00 0.21 H new ATOM 0 HB2 LEU A 128 7.084 6.232 -6.602 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.733 4.707 -7.172 1.00 0.23 H new ATOM 0 HG LEU A 128 8.566 5.880 -9.224 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.713 8.343 -9.178 1.00 0.38 H new ATOM 0 HD12 LEU A 128 7.025 7.781 -9.218 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.732 8.367 -7.694 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.450 6.993 -8.089 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.538 6.961 -6.560 1.00 0.37 H new ATOM 0 HD23 LEU A 128 10.043 5.437 -7.327 1.00 0.37 H new ATOM 2051 N PRO A 129 6.519 4.608 -10.549 1.00 0.27 N ATOM 2052 CA PRO A 129 6.721 3.615 -11.620 1.00 0.33 C ATOM 2053 C PRO A 129 7.809 2.579 -11.302 1.00 0.33 C ATOM 2054 O PRO A 129 7.901 1.547 -11.971 1.00 0.67 O ATOM 2055 CB PRO A 129 7.134 4.469 -12.824 1.00 0.45 C ATOM 2056 CG PRO A 129 6.585 5.824 -12.538 1.00 0.47 C ATOM 2057 CD PRO A 129 6.675 5.988 -11.051 1.00 0.30 C ATOM 0 HA PRO A 129 5.821 3.020 -11.778 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.218 4.497 -12.935 1.00 0.45 H new ATOM 0 HB3 PRO A 129 6.729 4.066 -13.752 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.157 6.596 -13.053 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.554 5.910 -12.880 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.630 6.420 -10.751 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.893 6.646 -10.670 1.00 0.30 H new ATOM 2065 N VAL A 130 8.633 2.861 -10.293 1.00 0.37 N ATOM 2066 CA VAL A 130 9.704 1.951 -9.897 1.00 0.35 C ATOM 2067 C VAL A 130 9.136 0.666 -9.291 1.00 0.38 C ATOM 2068 O VAL A 130 8.471 0.692 -8.252 1.00 0.57 O ATOM 2069 CB VAL A 130 10.683 2.609 -8.894 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.382 3.802 -9.528 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.970 3.025 -7.613 1.00 0.44 C ATOM 0 H VAL A 130 8.578 3.713 -9.735 1.00 0.37 H new ATOM 0 HA VAL A 130 10.258 1.707 -10.803 1.00 0.35 H new ATOM 0 HB VAL A 130 11.436 1.866 -8.631 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.065 4.249 -8.806 1.00 0.47 H new ATOM 0 HG12 VAL A 130 11.943 3.472 -10.402 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.639 4.540 -9.830 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.686 3.483 -6.931 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.184 3.742 -7.850 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.529 2.147 -7.140 1.00 0.44 H new ATOM 2081 N SER A 131 9.393 -0.450 -9.964 1.00 0.34 N ATOM 2082 CA SER A 131 8.926 -1.758 -9.520 1.00 0.40 C ATOM 2083 C SER A 131 9.756 -2.870 -10.165 1.00 0.39 C ATOM 2084 O SER A 131 10.424 -2.649 -11.180 1.00 0.47 O ATOM 2085 CB SER A 131 7.446 -1.944 -9.875 1.00 0.50 C ATOM 2086 OG SER A 131 6.611 -1.129 -9.073 1.00 0.88 O ATOM 0 H SER A 131 9.930 -0.474 -10.831 1.00 0.34 H new ATOM 0 HA SER A 131 9.042 -1.813 -8.438 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.290 -1.702 -10.926 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.169 -2.990 -9.744 1.00 0.50 H new ATOM 0 HG SER A 131 5.675 -1.385 -9.210 1.00 0.88 H new ATOM 2092 N SER A 132 9.720 -4.060 -9.570 1.00 0.48 N ATOM 2093 CA SER A 132 10.461 -5.202 -10.097 1.00 0.54 C ATOM 2094 C SER A 132 9.694 -5.845 -11.249 1.00 0.49 C ATOM 2095 O SER A 132 9.060 -6.892 -11.088 1.00 0.96 O ATOM 2096 CB SER A 132 10.741 -6.228 -8.987 1.00 0.76 C ATOM 2097 OG SER A 132 11.563 -5.670 -7.970 1.00 1.03 O ATOM 0 H SER A 132 9.186 -4.258 -8.724 1.00 0.48 H new ATOM 0 HA SER A 132 11.419 -4.847 -10.477 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.800 -6.566 -8.554 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.229 -7.105 -9.413 1.00 0.76 H new ATOM 0 HG SER A 132 11.572 -4.694 -8.055 1.00 1.03 H new ATOM 2103 N ASP A 133 9.724 -5.176 -12.399 1.00 0.56 N ATOM 2104 CA ASP A 133 9.060 -5.672 -13.599 1.00 0.58 C ATOM 2105 C ASP A 133 9.521 -7.093 -13.897 1.00 0.63 C ATOM 2106 O ASP A 133 10.746 -7.307 -14.009 1.00 0.80 O ATOM 2107 CB ASP A 133 9.355 -4.762 -14.797 1.00 0.80 C ATOM 2108 CG ASP A 133 8.840 -5.329 -16.108 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.617 -5.273 -16.346 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.659 -5.814 -16.919 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.663 -7.988 -13.996 1.00 0.75 O ATOM 0 H ASP A 133 10.204 -4.285 -12.524 1.00 0.56 H new ATOM 0 HA ASP A 133 7.984 -5.673 -13.424 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.902 -3.786 -14.626 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.431 -4.605 -14.872 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.603 4.351 3.526 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.542 3.939 2.052 1.00 3.47 C HETATM 2119 C3 IHP A 134 -17.187 5.042 1.172 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.407 6.347 1.361 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.438 6.776 2.835 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.840 5.673 3.715 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.999 3.344 4.353 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.844 2.631 5.535 1.00 4.66 P HETATM 2125 O21 IHP A 134 -18.104 1.999 5.073 1.00 4.95 O HETATM 2126 O31 IHP A 134 -17.133 3.775 6.621 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.867 1.569 6.240 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.206 3.728 1.631 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.725 2.291 1.084 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.766 1.690 2.041 1.00 4.60 O HETATM 2131 O32 IHP A 134 -16.042 1.386 0.924 1.00 4.76 O HETATM 2132 O42 IHP A 134 -14.072 2.563 -0.344 1.00 4.45 O HETATM 2133 O13 IHP A 134 -17.134 4.667 -0.199 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.487 4.548 -1.063 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.401 5.650 -0.683 1.00 5.53 O HETATM 2136 O33 IHP A 134 -19.104 3.103 -0.713 1.00 5.46 O HETATM 2137 O43 IHP A 134 -18.104 4.615 -2.621 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.994 7.391 0.576 1.00 4.60 O HETATM 2139 P4 IHP A 134 -16.129 8.151 -0.553 1.00 5.38 P HETATM 2140 O24 IHP A 134 -16.253 7.437 -1.845 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.622 8.134 0.010 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.637 9.669 -0.651 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.686 7.972 3.009 1.00 4.36 O HETATM 2144 P5 IHP A 134 -16.374 9.307 3.587 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.509 9.701 2.722 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.870 8.964 5.085 1.00 5.32 O HETATM 2147 O45 IHP A 134 -15.245 10.442 3.643 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.883 6.088 5.084 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.532 6.254 5.942 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.809 6.693 7.336 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.683 7.349 5.123 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.752 4.857 5.914 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.804 5.503 3.422 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.474 6.951 3.126 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.378 6.175 1.045 1.00 3.79 H new HETATM 0 H3 IHP A 134 -18.228 5.175 1.468 1.00 3.73 H new HETATM 0 H2 IHP A 134 -17.091 3.004 1.942 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.647 4.472 3.814 1.00 3.43 H new