USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1051 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 LYS NZ :NH3+ 144:sc= 0.0862 (180deg=0) USER MOD Set 1.2: A 132 SER OG : rot -121:sc= 0.0822 USER MOD Set 2.1: A 109 SER OG : rot -140:sc= 0.66 USER MOD Set 2.2: A 111 LYS NZ :NH3+ 167:sc= 0.692 (180deg=-0.0169) USER MOD Set 3.1: A 14 HIS : no HE2:sc= -2.36! C(o=-1.5!,f=-10!) USER MOD Set 3.2: A 107 ASN : amide:sc= 0.809 K(o=-1.5,f=-8.1!) USER MOD Set 4.1: A 70 GLN : amide:sc= 0.15 X(o=0.29,f=0) USER MOD Set 4.2: A 71 THR OG1 : rot 150:sc= 0.143 USER MOD Set 5.1: A 33 GLN : amide:sc= 0 X(o=-0.14,f=-0.5) USER MOD Set 5.2: A 36 GLN :FLIP amide:sc= -0.143 F(o=-1.7!,f=-0.14) USER MOD Single : A 1 TYR N :NH3+ -148:sc= 1.09 (180deg=-0.0259) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 0.343 (180deg=0.249) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 139:sc= 1.23 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.389 K(o=-0.39,f=-3.9!) USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.225 USER MOD Single : A 27 THR OG1 : rot 75:sc= 0.361 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0.021) USER MOD Single : A 38 GLN : amide:sc= -0.0444 K(o=-0.044,f=-0.63) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.197 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -162:sc= 0.525 USER MOD Single : A 52 THR OG1 : rot -100:sc= -0.595 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -12.4! C(o=-18!,f=-12!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 142:sc= -8.01! (180deg=-12.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -25:sc= 0.127 USER MOD Single : A 73 ASN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 76 CYS SG : rot -106:sc= 1.32 USER MOD Single : A 85 ASN : amide:sc= -0.791 X(o=-0.79,f=-0.6) USER MOD Single : A 86 HIS : no HD1:sc= -0.0775 X(o=-0.078,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.374 F(o=-1.2,f=-0.37) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 19:sc= 0.208 USER MOD Single : A 92 SER OG : rot 124:sc= 0.075 USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.1) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= 1.11 (180deg=1.01) USER MOD Single : A 95 HIS : no HD1:sc= -6.09! C(o=-6.1!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0956 X(o=-0.096,f=-0.34) USER MOD Single : A 105 LYS NZ :NH3+ 158:sc= -0.116 (180deg=-0.663) USER MOD Single : A 106 LYS NZ :NH3+ -156:sc= 1.91 (180deg=1.33) USER MOD Single : A 110 CYS SG : rot 105:sc= -7.78! USER MOD Single : A 116 THR OG1 : rot -131:sc= 1.24 USER MOD Single : A 117 HIS : no HD1:sc= -0.651 X(o=-0.65,f=-0.95) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.0907 F(o=-0.87,f=-0.091) USER MOD Single : A 121 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.118) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.118 -8.220 10.652 1.00 2.41 N ATOM 2 CA TYR A 1 15.900 -7.728 9.272 1.00 2.09 C ATOM 3 C TYR A 1 14.686 -6.823 9.184 1.00 2.03 C ATOM 4 O TYR A 1 14.739 -5.782 8.535 1.00 2.57 O ATOM 5 CB TYR A 1 15.715 -8.883 8.272 1.00 2.90 C ATOM 6 CG TYR A 1 14.588 -9.843 8.617 1.00 3.87 C ATOM 7 CD1 TYR A 1 14.744 -10.786 9.628 1.00 4.74 C ATOM 8 CD2 TYR A 1 13.380 -9.814 7.930 1.00 4.39 C ATOM 9 CE1 TYR A 1 13.731 -11.671 9.942 1.00 5.86 C ATOM 10 CE2 TYR A 1 12.361 -10.696 8.242 1.00 5.57 C ATOM 11 CZ TYR A 1 12.506 -11.577 9.254 1.00 6.21 C ATOM 12 OH TYR A 1 11.536 -12.511 9.553 1.00 7.47 O ATOM 0 H1 TYR A 1 17.137 -8.347 10.818 1.00 2.41 H new ATOM 0 H2 TYR A 1 15.740 -7.529 11.331 1.00 2.41 H new ATOM 0 H3 TYR A 1 15.631 -9.130 10.777 1.00 2.41 H new ATOM 0 HA TYR A 1 16.796 -7.165 9.013 1.00 2.09 H new ATOM 0 HB2 TYR A 1 15.528 -8.464 7.283 1.00 2.90 H new ATOM 0 HB3 TYR A 1 16.647 -9.445 8.209 1.00 2.90 H new ATOM 0 HD1 TYR A 1 15.673 -10.827 10.177 1.00 4.74 H new ATOM 0 HD2 TYR A 1 13.235 -9.092 7.140 1.00 4.39 H new ATOM 0 HE1 TYR A 1 13.876 -12.423 10.703 1.00 5.86 H new ATOM 0 HE2 TYR A 1 11.444 -10.679 7.672 1.00 5.57 H new ATOM 0 HH TYR A 1 10.737 -12.338 9.012 1.00 7.47 H new ATOM 24 N LYS A 2 13.598 -7.209 9.845 1.00 2.03 N ATOM 25 CA LYS A 2 12.310 -6.612 9.561 1.00 2.09 C ATOM 26 C LYS A 2 12.267 -5.157 9.997 1.00 1.28 C ATOM 27 O LYS A 2 12.722 -4.792 11.083 1.00 1.83 O ATOM 28 CB LYS A 2 11.208 -7.419 10.249 1.00 3.32 C ATOM 29 CG LYS A 2 9.795 -6.951 9.940 1.00 4.26 C ATOM 30 CD LYS A 2 8.770 -7.906 10.526 1.00 5.27 C ATOM 31 CE LYS A 2 8.902 -8.005 12.036 1.00 6.31 C ATOM 32 NZ LYS A 2 8.131 -9.148 12.588 1.00 6.96 N ATOM 0 H LYS A 2 13.588 -7.925 10.572 1.00 2.03 H new ATOM 0 HA LYS A 2 12.147 -6.632 8.483 1.00 2.09 H new ATOM 0 HB2 LYS A 2 11.303 -8.464 9.954 1.00 3.32 H new ATOM 0 HB3 LYS A 2 11.363 -7.376 11.327 1.00 3.32 H new ATOM 0 HG2 LYS A 2 9.641 -5.951 10.346 1.00 4.26 H new ATOM 0 HG3 LYS A 2 9.658 -6.881 8.861 1.00 4.26 H new ATOM 0 HD2 LYS A 2 7.766 -7.567 10.269 1.00 5.27 H new ATOM 0 HD3 LYS A 2 8.896 -8.894 10.083 1.00 5.27 H new ATOM 0 HE2 LYS A 2 9.953 -8.115 12.302 1.00 6.31 H new ATOM 0 HE3 LYS A 2 8.553 -7.078 12.492 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 8.248 -9.179 13.621 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 7.124 -9.031 12.357 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 8.480 -10.035 12.173 1.00 6.96 H new ATOM 46 N LYS A 3 11.692 -4.357 9.128 1.00 0.93 N ATOM 47 CA LYS A 3 11.577 -2.928 9.307 1.00 0.96 C ATOM 48 C LYS A 3 10.502 -2.451 8.326 1.00 0.78 C ATOM 49 O LYS A 3 9.622 -3.247 7.988 1.00 1.17 O ATOM 50 CB LYS A 3 12.958 -2.283 9.078 1.00 1.91 C ATOM 51 CG LYS A 3 13.585 -2.591 7.726 1.00 2.62 C ATOM 52 CD LYS A 3 14.944 -1.919 7.584 1.00 3.43 C ATOM 53 CE LYS A 3 14.820 -0.403 7.583 1.00 4.25 C ATOM 54 NZ LYS A 3 16.142 0.275 7.649 1.00 4.81 N ATOM 0 H LYS A 3 11.281 -4.691 8.256 1.00 0.93 H new ATOM 0 HA LYS A 3 11.275 -2.642 10.315 1.00 0.96 H new ATOM 0 HB2 LYS A 3 12.861 -1.202 9.181 1.00 1.91 H new ATOM 0 HB3 LYS A 3 13.636 -2.619 9.863 1.00 1.91 H new ATOM 0 HG2 LYS A 3 13.696 -3.669 7.611 1.00 2.62 H new ATOM 0 HG3 LYS A 3 12.923 -2.251 6.929 1.00 2.62 H new ATOM 0 HD2 LYS A 3 15.593 -2.231 8.402 1.00 3.43 H new ATOM 0 HD3 LYS A 3 15.418 -2.247 6.659 1.00 3.43 H new ATOM 0 HE2 LYS A 3 14.296 -0.085 6.682 1.00 4.25 H new ATOM 0 HE3 LYS A 3 14.212 -0.091 8.432 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 16.117 1.141 7.074 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 16.357 0.521 8.636 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 16.878 -0.363 7.283 1.00 4.81 H new ATOM 68 N PRO A 4 10.491 -1.170 7.885 1.00 0.45 N ATOM 69 CA PRO A 4 9.724 -0.747 6.721 1.00 0.41 C ATOM 70 C PRO A 4 9.642 -1.829 5.639 1.00 0.39 C ATOM 71 O PRO A 4 10.655 -2.384 5.203 1.00 0.53 O ATOM 72 CB PRO A 4 10.509 0.470 6.212 1.00 0.59 C ATOM 73 CG PRO A 4 11.498 0.815 7.287 1.00 0.72 C ATOM 74 CD PRO A 4 11.137 -0.006 8.493 1.00 0.80 C ATOM 0 HA PRO A 4 8.685 -0.532 6.973 1.00 0.41 H new ATOM 0 HB2 PRO A 4 11.017 0.240 5.276 1.00 0.59 H new ATOM 0 HB3 PRO A 4 9.841 1.309 6.015 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.515 0.596 6.961 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.460 1.879 7.519 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.015 -0.284 9.075 1.00 0.80 H new ATOM 0 HD3 PRO A 4 10.466 0.529 9.165 1.00 0.80 H new ATOM 82 N LYS A 5 8.423 -2.121 5.231 1.00 0.38 N ATOM 83 CA LYS A 5 8.147 -3.150 4.248 1.00 0.38 C ATOM 84 C LYS A 5 8.044 -2.549 2.851 1.00 0.35 C ATOM 85 O LYS A 5 7.926 -1.334 2.684 1.00 0.40 O ATOM 86 CB LYS A 5 6.834 -3.869 4.589 1.00 0.44 C ATOM 87 CG LYS A 5 6.860 -4.634 5.904 1.00 1.16 C ATOM 88 CD LYS A 5 5.511 -5.274 6.197 1.00 1.64 C ATOM 89 CE LYS A 5 5.548 -6.118 7.462 1.00 2.57 C ATOM 90 NZ LYS A 5 4.203 -6.650 7.822 1.00 3.33 N ATOM 0 H LYS A 5 7.589 -1.646 5.576 1.00 0.38 H new ATOM 0 HA LYS A 5 8.970 -3.864 4.266 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.030 -3.134 4.626 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.594 -4.563 3.783 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.630 -5.405 5.864 1.00 1.16 H new ATOM 0 HG3 LYS A 5 7.128 -3.958 6.716 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.755 -4.496 6.301 1.00 1.64 H new ATOM 0 HD3 LYS A 5 5.213 -5.897 5.353 1.00 1.64 H new ATOM 0 HE2 LYS A 5 6.240 -6.948 7.323 1.00 2.57 H new ATOM 0 HE3 LYS A 5 5.932 -5.518 8.287 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 4.306 -7.399 8.536 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 3.618 -5.882 8.208 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 3.746 -7.041 6.974 1.00 3.33 H new ATOM 104 N LEU A 6 8.090 -3.423 1.866 1.00 0.35 N ATOM 105 CA LEU A 6 7.925 -3.061 0.470 1.00 0.37 C ATOM 106 C LEU A 6 6.515 -3.387 0.017 1.00 0.37 C ATOM 107 O LEU A 6 5.905 -4.344 0.508 1.00 0.46 O ATOM 108 CB LEU A 6 8.899 -3.855 -0.409 1.00 0.51 C ATOM 109 CG LEU A 6 8.560 -3.835 -1.904 1.00 0.64 C ATOM 110 CD1 LEU A 6 9.282 -2.703 -2.608 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.855 -5.177 -2.559 1.00 1.49 C ATOM 0 H LEU A 6 8.245 -4.420 2.014 1.00 0.35 H new ATOM 0 HA LEU A 6 8.122 -1.993 0.372 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.903 -3.455 -0.271 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.918 -4.890 -0.067 1.00 0.51 H new ATOM 0 HG LEU A 6 7.489 -3.657 -2.001 1.00 0.64 H new ATOM 0 HD11 LEU A 6 9.025 -2.710 -3.667 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.983 -1.751 -2.169 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.358 -2.832 -2.495 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.603 -5.128 -3.618 1.00 1.49 H new ATOM 0 HD22 LEU A 6 9.914 -5.411 -2.448 1.00 1.49 H new ATOM 0 HD23 LEU A 6 8.259 -5.954 -2.080 1.00 1.49 H new ATOM 123 N LEU A 7 6.004 -2.619 -0.932 1.00 0.36 N ATOM 124 CA LEU A 7 4.756 -2.984 -1.572 1.00 0.39 C ATOM 125 C LEU A 7 5.015 -3.754 -2.852 1.00 0.41 C ATOM 126 O LEU A 7 5.439 -3.192 -3.867 1.00 0.58 O ATOM 127 CB LEU A 7 3.893 -1.789 -1.932 1.00 0.55 C ATOM 128 CG LEU A 7 2.643 -2.184 -2.720 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.441 -2.273 -1.795 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.400 -1.234 -3.890 1.00 1.25 C ATOM 0 H LEU A 7 6.427 -1.754 -1.270 1.00 0.36 H new ATOM 0 HA LEU A 7 4.226 -3.592 -0.839 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.595 -1.272 -1.020 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.481 -1.084 -2.520 1.00 0.55 H new ATOM 0 HG LEU A 7 2.803 -3.173 -3.150 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.559 -2.555 -2.370 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.628 -3.023 -1.027 1.00 1.53 H new ATOM 0 HD13 LEU A 7 1.272 -1.305 -1.324 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.504 -1.543 -4.429 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.266 -0.220 -3.513 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.256 -1.260 -4.564 1.00 1.25 H new ATOM 142 N TYR A 8 4.769 -5.040 -2.790 1.00 0.50 N ATOM 143 CA TYR A 8 4.733 -5.865 -3.979 1.00 0.71 C ATOM 144 C TYR A 8 3.275 -6.089 -4.400 1.00 0.44 C ATOM 145 O TYR A 8 2.561 -6.901 -3.840 1.00 0.73 O ATOM 146 CB TYR A 8 5.422 -7.208 -3.716 1.00 1.29 C ATOM 147 CG TYR A 8 6.131 -7.797 -4.921 1.00 1.60 C ATOM 148 CD1 TYR A 8 5.444 -8.518 -5.894 1.00 1.84 C ATOM 149 CD2 TYR A 8 7.505 -7.651 -5.071 1.00 2.21 C ATOM 150 CE1 TYR A 8 6.106 -9.072 -6.973 1.00 2.43 C ATOM 151 CE2 TYR A 8 8.172 -8.197 -6.149 1.00 2.93 C ATOM 152 CZ TYR A 8 7.469 -8.908 -7.095 1.00 2.96 C ATOM 153 OH TYR A 8 8.131 -9.452 -8.169 1.00 3.74 O ATOM 0 H TYR A 8 4.589 -5.544 -1.922 1.00 0.50 H new ATOM 0 HA TYR A 8 5.266 -5.358 -4.784 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.146 -7.079 -2.911 1.00 1.29 H new ATOM 0 HB3 TYR A 8 4.677 -7.922 -3.364 1.00 1.29 H new ATOM 0 HD1 TYR A 8 4.375 -8.646 -5.804 1.00 1.84 H new ATOM 0 HD2 TYR A 8 8.062 -7.099 -4.329 1.00 2.21 H new ATOM 0 HE1 TYR A 8 5.558 -9.631 -7.717 1.00 2.43 H new ATOM 0 HE2 TYR A 8 9.239 -8.067 -6.250 1.00 2.93 H new ATOM 0 HH TYR A 8 9.086 -9.243 -8.104 1.00 3.74 H new ATOM 163 N CYS A 9 2.876 -5.352 -5.405 1.00 0.63 N ATOM 164 CA CYS A 9 1.570 -5.463 -6.053 1.00 0.75 C ATOM 165 C CYS A 9 1.613 -6.598 -7.064 1.00 1.05 C ATOM 166 O CYS A 9 2.697 -6.955 -7.540 1.00 1.99 O ATOM 167 CB CYS A 9 1.137 -4.148 -6.696 1.00 1.57 C ATOM 168 SG CYS A 9 -0.429 -4.224 -7.599 1.00 2.64 S ATOM 0 H CYS A 9 3.464 -4.628 -5.818 1.00 0.63 H new ATOM 0 HA CYS A 9 0.819 -5.688 -5.296 1.00 0.75 H new ATOM 0 HB2 CYS A 9 1.055 -3.389 -5.918 1.00 1.57 H new ATOM 0 HB3 CYS A 9 1.919 -3.820 -7.380 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.117 -3.146 -7.365 1.00 2.64 H new ATOM 174 N SER A 10 0.456 -7.170 -7.380 1.00 0.83 N ATOM 175 CA SER A 10 0.356 -8.506 -7.942 1.00 1.29 C ATOM 176 C SER A 10 0.971 -8.482 -9.325 1.00 0.84 C ATOM 177 O SER A 10 1.068 -7.424 -9.961 1.00 1.34 O ATOM 178 CB SER A 10 -1.111 -8.948 -8.007 1.00 2.36 C ATOM 179 OG SER A 10 -1.231 -10.291 -8.452 1.00 3.16 O ATOM 0 H SER A 10 -0.446 -6.712 -7.251 1.00 0.83 H new ATOM 0 HA SER A 10 0.888 -9.221 -7.314 1.00 1.29 H new ATOM 0 HB2 SER A 10 -1.566 -8.848 -7.022 1.00 2.36 H new ATOM 0 HB3 SER A 10 -1.661 -8.290 -8.680 1.00 2.36 H new ATOM 0 HG SER A 10 -2.178 -10.543 -8.481 1.00 3.16 H new ATOM 185 N ASN A 11 1.377 -9.646 -9.797 1.00 1.45 N ATOM 186 CA ASN A 11 2.734 -9.810 -10.270 1.00 1.79 C ATOM 187 C ASN A 11 3.054 -9.029 -11.525 1.00 1.40 C ATOM 188 O ASN A 11 2.580 -9.287 -12.634 1.00 1.83 O ATOM 189 CB ASN A 11 3.006 -11.299 -10.510 1.00 2.89 C ATOM 190 CG ASN A 11 4.481 -11.627 -10.679 1.00 3.45 C ATOM 191 OD1 ASN A 11 5.276 -10.805 -11.127 1.00 3.71 O ATOM 192 ND2 ASN A 11 4.854 -12.844 -10.321 1.00 4.02 N ATOM 0 H ASN A 11 0.794 -10.480 -9.862 1.00 1.45 H new ATOM 0 HA ASN A 11 3.382 -9.407 -9.492 1.00 1.79 H new ATOM 0 HB2 ASN A 11 2.608 -11.872 -9.673 1.00 2.89 H new ATOM 0 HB3 ASN A 11 2.466 -11.620 -11.401 1.00 2.89 H new ATOM 0 HD21 ASN A 11 5.830 -13.126 -10.413 1.00 4.02 H new ATOM 0 HD22 ASN A 11 4.166 -13.501 -9.953 1.00 4.02 H new ATOM 199 N GLY A 12 3.877 -8.036 -11.249 1.00 1.41 N ATOM 200 CA GLY A 12 4.699 -7.358 -12.216 1.00 1.36 C ATOM 201 C GLY A 12 6.011 -7.027 -11.534 1.00 1.49 C ATOM 202 O GLY A 12 6.283 -7.557 -10.456 1.00 2.34 O ATOM 0 H GLY A 12 3.991 -7.669 -10.304 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.867 -7.989 -13.088 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.209 -6.451 -12.569 1.00 1.36 H new ATOM 206 N GLY A 13 6.797 -6.128 -12.079 1.00 0.97 N ATOM 207 CA GLY A 13 8.032 -5.777 -11.413 1.00 1.26 C ATOM 208 C GLY A 13 8.227 -4.286 -11.331 1.00 0.84 C ATOM 209 O GLY A 13 8.925 -3.686 -12.140 1.00 0.89 O ATOM 0 H GLY A 13 6.613 -5.638 -12.955 1.00 0.97 H new ATOM 0 HA2 GLY A 13 8.034 -6.198 -10.408 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.871 -6.223 -11.947 1.00 1.26 H new ATOM 213 N HIS A 14 7.554 -3.692 -10.366 1.00 0.78 N ATOM 214 CA HIS A 14 7.766 -2.341 -9.950 1.00 0.61 C ATOM 215 C HIS A 14 7.801 -2.342 -8.433 1.00 0.61 C ATOM 216 O HIS A 14 7.457 -3.352 -7.815 1.00 0.92 O ATOM 217 CB HIS A 14 6.693 -1.420 -10.520 1.00 0.85 C ATOM 218 CG HIS A 14 6.970 -0.985 -11.933 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.529 -1.671 -13.044 1.00 1.31 N ATOM 220 CD2 HIS A 14 7.656 0.080 -12.408 1.00 1.07 C ATOM 221 CE1 HIS A 14 6.932 -1.044 -14.135 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.616 0.023 -13.777 1.00 0.95 N ATOM 0 H HIS A 14 6.820 -4.164 -9.838 1.00 0.78 H new ATOM 0 HA HIS A 14 8.710 -1.952 -10.331 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.731 -1.931 -10.487 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.607 -0.538 -9.886 1.00 0.85 H new ATOM 0 HD1 HIS A 14 5.978 -2.529 -13.027 1.00 1.31 H new ATOM 0 HD2 HIS A 14 8.147 0.838 -11.816 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.734 -1.354 -15.150 1.00 1.17 H new ATOM 231 N PHE A 15 8.222 -1.259 -7.835 1.00 0.49 N ATOM 232 CA PHE A 15 8.273 -1.154 -6.393 1.00 0.45 C ATOM 233 C PHE A 15 7.631 0.155 -5.988 1.00 0.39 C ATOM 234 O PHE A 15 7.880 1.175 -6.618 1.00 0.41 O ATOM 235 CB PHE A 15 9.719 -1.217 -5.889 1.00 0.51 C ATOM 236 CG PHE A 15 10.438 -2.485 -6.256 1.00 0.83 C ATOM 237 CD1 PHE A 15 10.009 -3.709 -5.770 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.540 -2.452 -7.093 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.666 -4.875 -6.110 1.00 1.61 C ATOM 240 CE2 PHE A 15 12.201 -3.614 -7.437 1.00 1.62 C ATOM 241 CZ PHE A 15 11.763 -4.827 -6.946 1.00 1.82 C ATOM 0 H PHE A 15 8.539 -0.425 -8.328 1.00 0.49 H new ATOM 0 HA PHE A 15 7.734 -1.990 -5.948 1.00 0.45 H new ATOM 0 HB2 PHE A 15 10.271 -0.368 -6.292 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.720 -1.111 -4.804 1.00 0.51 H new ATOM 0 HD1 PHE A 15 9.150 -3.752 -5.117 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.887 -1.506 -7.482 1.00 1.15 H new ATOM 0 HE1 PHE A 15 10.322 -5.823 -5.722 1.00 1.61 H new ATOM 0 HE2 PHE A 15 13.060 -3.574 -8.090 1.00 1.62 H new ATOM 0 HZ PHE A 15 12.278 -5.737 -7.216 1.00 1.82 H new ATOM 251 N LEU A 16 6.860 0.146 -4.918 1.00 0.43 N ATOM 252 CA LEU A 16 6.124 1.326 -4.523 1.00 0.50 C ATOM 253 C LEU A 16 7.037 2.302 -3.800 1.00 0.48 C ATOM 254 O LEU A 16 7.561 2.029 -2.723 1.00 0.64 O ATOM 255 CB LEU A 16 5.013 0.908 -3.568 1.00 0.75 C ATOM 256 CG LEU A 16 4.007 1.989 -3.232 1.00 1.35 C ATOM 257 CD1 LEU A 16 3.115 2.233 -4.422 1.00 2.23 C ATOM 258 CD2 LEU A 16 3.187 1.615 -2.006 1.00 1.59 C ATOM 0 H LEU A 16 6.729 -0.663 -4.310 1.00 0.43 H new ATOM 0 HA LEU A 16 5.716 1.807 -5.412 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.481 0.062 -4.004 1.00 0.75 H new ATOM 0 HB3 LEU A 16 5.466 0.556 -2.641 1.00 0.75 H new ATOM 0 HG LEU A 16 4.544 2.907 -2.995 1.00 1.35 H new ATOM 0 HD11 LEU A 16 2.391 3.011 -4.180 1.00 2.23 H new ATOM 0 HD12 LEU A 16 3.720 2.551 -5.271 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.588 1.313 -4.676 1.00 2.23 H new ATOM 0 HD21 LEU A 16 2.474 2.410 -1.789 1.00 1.59 H new ATOM 0 HD22 LEU A 16 2.649 0.687 -2.198 1.00 1.59 H new ATOM 0 HD23 LEU A 16 3.851 1.480 -1.152 1.00 1.59 H new ATOM 270 N ARG A 17 7.227 3.436 -4.457 1.00 0.40 N ATOM 271 CA ARG A 17 8.183 4.446 -4.050 1.00 0.42 C ATOM 272 C ARG A 17 7.455 5.774 -3.960 1.00 0.35 C ATOM 273 O ARG A 17 6.439 5.955 -4.637 1.00 0.37 O ATOM 274 CB ARG A 17 9.319 4.526 -5.086 1.00 0.59 C ATOM 275 CG ARG A 17 9.224 5.745 -5.992 1.00 1.00 C ATOM 276 CD ARG A 17 9.810 5.501 -7.373 1.00 1.17 C ATOM 277 NE ARG A 17 11.275 5.509 -7.398 1.00 1.46 N ATOM 278 CZ ARG A 17 12.006 6.615 -7.548 1.00 1.93 C ATOM 279 NH1 ARG A 17 11.416 7.805 -7.554 1.00 2.43 N ATOM 280 NH2 ARG A 17 13.321 6.527 -7.701 1.00 2.61 N ATOM 0 H ARG A 17 6.711 3.681 -5.302 1.00 0.40 H new ATOM 0 HA ARG A 17 8.618 4.197 -3.082 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.276 4.543 -4.565 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.306 3.625 -5.699 1.00 0.59 H new ATOM 0 HG2 ARG A 17 8.178 6.036 -6.093 1.00 1.00 H new ATOM 0 HG3 ARG A 17 9.744 6.581 -5.524 1.00 1.00 H new ATOM 0 HD2 ARG A 17 9.454 4.540 -7.745 1.00 1.17 H new ATOM 0 HD3 ARG A 17 9.439 6.265 -8.056 1.00 1.17 H new ATOM 0 HE ARG A 17 11.763 4.619 -7.295 1.00 1.46 H new ATOM 0 HH11 ARG A 17 10.404 7.873 -7.444 1.00 2.43 H new ATOM 0 HH12 ARG A 17 11.975 8.651 -7.669 1.00 2.43 H new ATOM 0 HH21 ARG A 17 13.774 5.613 -7.704 1.00 2.61 H new ATOM 0 HH22 ARG A 17 13.879 7.373 -7.816 1.00 2.61 H new ATOM 294 N ILE A 18 7.933 6.703 -3.147 1.00 0.33 N ATOM 295 CA ILE A 18 7.316 8.002 -3.140 1.00 0.31 C ATOM 296 C ILE A 18 8.009 8.913 -4.127 1.00 0.32 C ATOM 297 O ILE A 18 9.240 8.938 -4.242 1.00 0.36 O ATOM 298 CB ILE A 18 7.338 8.674 -1.760 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.763 9.030 -1.333 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.687 7.773 -0.732 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.820 9.955 -0.138 1.00 0.91 C ATOM 0 H ILE A 18 8.719 6.582 -2.508 1.00 0.33 H new ATOM 0 HA ILE A 18 6.274 7.843 -3.418 1.00 0.31 H new ATOM 0 HB ILE A 18 6.772 9.603 -1.829 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.304 8.113 -1.099 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.279 9.499 -2.171 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.708 8.259 0.243 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.653 7.581 -1.019 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.230 6.830 -0.679 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.860 10.165 0.110 1.00 0.91 H new ATOM 0 HD12 ILE A 18 8.308 10.887 -0.375 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.333 9.480 0.714 1.00 0.91 H new ATOM 313 N LEU A 19 7.190 9.610 -4.874 1.00 0.36 N ATOM 314 CA LEU A 19 7.648 10.612 -5.800 1.00 0.42 C ATOM 315 C LEU A 19 7.342 11.968 -5.180 1.00 0.41 C ATOM 316 O LEU A 19 6.308 12.124 -4.529 1.00 0.43 O ATOM 317 CB LEU A 19 6.917 10.440 -7.139 1.00 0.54 C ATOM 318 CG LEU A 19 7.557 11.126 -8.347 1.00 0.96 C ATOM 319 CD1 LEU A 19 8.902 10.494 -8.672 1.00 1.56 C ATOM 320 CD2 LEU A 19 6.628 11.051 -9.547 1.00 1.84 C ATOM 0 H LEU A 19 6.177 9.496 -4.855 1.00 0.36 H new ATOM 0 HA LEU A 19 8.717 10.523 -5.992 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.837 9.374 -7.352 1.00 0.54 H new ATOM 0 HB3 LEU A 19 5.901 10.820 -7.027 1.00 0.54 H new ATOM 0 HG LEU A 19 7.724 12.175 -8.102 1.00 0.96 H new ATOM 0 HD11 LEU A 19 9.341 10.996 -9.534 1.00 1.56 H new ATOM 0 HD12 LEU A 19 9.568 10.595 -7.815 1.00 1.56 H new ATOM 0 HD13 LEU A 19 8.762 9.437 -8.900 1.00 1.56 H new ATOM 0 HD21 LEU A 19 7.095 11.543 -10.400 1.00 1.84 H new ATOM 0 HD22 LEU A 19 6.434 10.007 -9.792 1.00 1.84 H new ATOM 0 HD23 LEU A 19 5.688 11.549 -9.311 1.00 1.84 H new ATOM 332 N PRO A 20 8.205 12.972 -5.377 1.00 0.54 N ATOM 333 CA PRO A 20 8.068 14.273 -4.711 1.00 0.67 C ATOM 334 C PRO A 20 6.939 15.108 -5.301 1.00 0.68 C ATOM 335 O PRO A 20 6.786 16.287 -4.984 1.00 0.84 O ATOM 336 CB PRO A 20 9.405 14.963 -4.992 1.00 0.89 C ATOM 337 CG PRO A 20 10.309 13.895 -5.508 1.00 0.96 C ATOM 338 CD PRO A 20 9.415 12.918 -6.204 1.00 0.70 C ATOM 0 HA PRO A 20 7.835 14.157 -3.653 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.287 15.763 -5.723 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.810 15.415 -4.087 1.00 0.89 H new ATOM 0 HG2 PRO A 20 11.051 14.306 -6.193 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.856 13.417 -4.695 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.218 13.208 -7.236 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.847 11.917 -6.231 1.00 0.70 H new ATOM 346 N ASP A 21 6.156 14.475 -6.155 1.00 0.62 N ATOM 347 CA ASP A 21 4.976 15.100 -6.739 1.00 0.78 C ATOM 348 C ASP A 21 3.725 14.684 -5.977 1.00 0.75 C ATOM 349 O ASP A 21 2.630 15.174 -6.249 1.00 0.99 O ATOM 350 CB ASP A 21 4.819 14.721 -8.216 1.00 0.94 C ATOM 351 CG ASP A 21 5.898 15.313 -9.098 1.00 1.51 C ATOM 352 OD1 ASP A 21 6.039 16.555 -9.122 1.00 1.71 O ATOM 353 OD2 ASP A 21 6.625 14.539 -9.757 1.00 2.30 O ATOM 0 H ASP A 21 6.316 13.516 -6.465 1.00 0.62 H new ATOM 0 HA ASP A 21 5.106 16.180 -6.668 1.00 0.78 H new ATOM 0 HB2 ASP A 21 4.836 13.635 -8.310 1.00 0.94 H new ATOM 0 HB3 ASP A 21 3.844 15.057 -8.570 1.00 0.94 H new ATOM 358 N GLY A 22 3.894 13.778 -5.024 1.00 0.59 N ATOM 359 CA GLY A 22 2.768 13.294 -4.254 1.00 0.72 C ATOM 360 C GLY A 22 2.227 11.989 -4.798 1.00 0.61 C ATOM 361 O GLY A 22 1.018 11.818 -4.946 1.00 0.81 O ATOM 0 H GLY A 22 4.793 13.369 -4.771 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.071 13.156 -3.216 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.977 14.044 -4.258 1.00 0.72 H new ATOM 365 N THR A 23 3.123 11.066 -5.105 1.00 0.43 N ATOM 366 CA THR A 23 2.755 9.798 -5.659 1.00 0.39 C ATOM 367 C THR A 23 3.352 8.683 -4.844 1.00 0.40 C ATOM 368 O THR A 23 4.447 8.829 -4.301 1.00 0.46 O ATOM 369 CB THR A 23 3.346 9.635 -7.052 1.00 0.44 C ATOM 370 OG1 THR A 23 3.571 10.919 -7.657 1.00 0.49 O ATOM 371 CG2 THR A 23 2.431 8.812 -7.931 1.00 0.59 C ATOM 0 H THR A 23 4.127 11.187 -4.972 1.00 0.43 H new ATOM 0 HA THR A 23 1.666 9.759 -5.673 1.00 0.39 H new ATOM 0 HB THR A 23 4.299 9.115 -6.953 1.00 0.44 H new ATOM 0 HG1 THR A 23 3.642 10.815 -8.629 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.874 8.709 -8.922 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.294 7.825 -7.490 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.464 9.309 -8.016 1.00 0.59 H new ATOM 379 N VAL A 24 2.653 7.579 -4.762 1.00 0.47 N ATOM 380 CA VAL A 24 3.308 6.347 -4.417 1.00 0.56 C ATOM 381 C VAL A 24 2.994 5.321 -5.512 1.00 0.42 C ATOM 382 O VAL A 24 1.854 4.895 -5.711 1.00 0.50 O ATOM 383 CB VAL A 24 2.927 5.862 -3.000 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.650 5.045 -2.996 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.085 5.098 -2.379 1.00 1.61 C ATOM 0 H VAL A 24 1.649 7.509 -4.926 1.00 0.47 H new ATOM 0 HA VAL A 24 4.387 6.497 -4.373 1.00 0.56 H new ATOM 0 HB VAL A 24 2.726 6.742 -2.389 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.424 4.727 -1.978 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.829 5.652 -3.377 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.777 4.168 -3.630 1.00 0.97 H new ATOM 0 HG21 VAL A 24 3.805 4.761 -1.381 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.325 4.235 -2.999 1.00 1.61 H new ATOM 0 HG23 VAL A 24 4.956 5.750 -2.311 1.00 1.61 H new ATOM 395 N ASP A 25 3.991 5.048 -6.318 1.00 0.37 N ATOM 396 CA ASP A 25 3.834 4.148 -7.456 1.00 0.37 C ATOM 397 C ASP A 25 4.932 3.150 -7.540 1.00 0.39 C ATOM 398 O ASP A 25 5.932 3.259 -6.834 1.00 0.43 O ATOM 399 CB ASP A 25 3.762 4.942 -8.763 1.00 0.48 C ATOM 400 CG ASP A 25 5.044 5.714 -9.056 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.980 5.119 -9.632 1.00 1.10 O ATOM 402 OD2 ASP A 25 5.127 6.914 -8.703 1.00 1.16 O ATOM 0 H ASP A 25 4.929 5.434 -6.213 1.00 0.37 H new ATOM 0 HA ASP A 25 2.900 3.606 -7.304 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.558 4.259 -9.587 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.926 5.640 -8.713 1.00 0.48 H new ATOM 407 N GLY A 26 4.759 2.168 -8.417 1.00 0.38 N ATOM 408 CA GLY A 26 5.864 1.289 -8.651 1.00 0.40 C ATOM 409 C GLY A 26 6.840 1.849 -9.660 1.00 0.42 C ATOM 410 O GLY A 26 6.482 2.266 -10.757 1.00 0.52 O ATOM 0 H GLY A 26 3.908 1.977 -8.945 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.383 1.104 -7.711 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.492 0.327 -9.004 1.00 0.40 H new ATOM 414 N THR A 27 8.080 1.805 -9.259 1.00 0.42 N ATOM 415 CA THR A 27 9.238 2.069 -10.074 1.00 0.50 C ATOM 416 C THR A 27 10.305 1.160 -9.530 1.00 0.54 C ATOM 417 O THR A 27 10.310 0.941 -8.319 1.00 0.56 O ATOM 418 CB THR A 27 9.664 3.544 -9.969 1.00 0.57 C ATOM 419 OG1 THR A 27 8.704 4.393 -10.620 1.00 0.67 O ATOM 420 CG2 THR A 27 11.038 3.756 -10.573 1.00 0.70 C ATOM 0 H THR A 27 8.326 1.570 -8.297 1.00 0.42 H new ATOM 0 HA THR A 27 9.044 1.888 -11.131 1.00 0.50 H new ATOM 0 HB THR A 27 9.708 3.806 -8.912 1.00 0.57 H new ATOM 0 HG1 THR A 27 7.901 4.467 -10.062 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.316 4.806 -10.486 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.767 3.143 -10.043 1.00 0.70 H new ATOM 0 HG23 THR A 27 11.021 3.471 -11.625 1.00 0.70 H new ATOM 428 N ARG A 28 11.193 0.584 -10.320 1.00 0.64 N ATOM 429 CA ARG A 28 12.075 -0.331 -9.653 1.00 0.71 C ATOM 430 C ARG A 28 13.283 0.421 -9.157 1.00 0.65 C ATOM 431 O ARG A 28 14.171 0.790 -9.924 1.00 0.72 O ATOM 432 CB ARG A 28 12.517 -1.446 -10.594 1.00 0.91 C ATOM 433 CG ARG A 28 11.397 -2.010 -11.446 1.00 1.56 C ATOM 434 CD ARG A 28 11.909 -3.057 -12.418 1.00 1.84 C ATOM 435 NE ARG A 28 12.478 -4.213 -11.729 1.00 2.32 N ATOM 436 CZ ARG A 28 12.322 -5.469 -12.136 1.00 2.92 C ATOM 437 NH1 ARG A 28 11.589 -5.737 -13.213 1.00 3.18 N ATOM 438 NH2 ARG A 28 12.895 -6.452 -11.459 1.00 3.76 N ATOM 0 H ARG A 28 11.314 0.717 -11.324 1.00 0.64 H new ATOM 0 HA ARG A 28 11.544 -0.782 -8.815 1.00 0.71 H new ATOM 0 HB2 ARG A 28 13.302 -1.066 -11.248 1.00 0.91 H new ATOM 0 HB3 ARG A 28 12.954 -2.253 -10.006 1.00 0.91 H new ATOM 0 HG2 ARG A 28 10.636 -2.451 -10.802 1.00 1.56 H new ATOM 0 HG3 ARG A 28 10.918 -1.202 -11.999 1.00 1.56 H new ATOM 0 HD2 ARG A 28 11.092 -3.384 -13.061 1.00 1.84 H new ATOM 0 HD3 ARG A 28 12.665 -2.612 -13.065 1.00 1.84 H new ATOM 0 HE ARG A 28 13.027 -4.047 -10.886 1.00 2.32 H new ATOM 0 HH11 ARG A 28 11.145 -4.978 -13.729 1.00 3.18 H new ATOM 0 HH12 ARG A 28 11.471 -6.702 -13.523 1.00 3.18 H new ATOM 0 HH21 ARG A 28 13.452 -6.243 -10.630 1.00 3.76 H new ATOM 0 HH22 ARG A 28 12.779 -7.418 -11.766 1.00 3.76 H new ATOM 452 N ASP A 29 13.291 0.612 -7.853 1.00 0.68 N ATOM 453 CA ASP A 29 14.472 0.983 -7.094 1.00 0.69 C ATOM 454 C ASP A 29 14.375 0.380 -5.705 1.00 0.81 C ATOM 455 O ASP A 29 13.537 0.802 -4.921 1.00 1.48 O ATOM 456 CB ASP A 29 14.597 2.506 -6.950 1.00 1.04 C ATOM 457 CG ASP A 29 14.788 3.230 -8.265 1.00 1.58 C ATOM 458 OD1 ASP A 29 15.848 3.034 -8.900 1.00 1.84 O ATOM 459 OD2 ASP A 29 13.875 3.979 -8.676 1.00 2.20 O ATOM 0 H ASP A 29 12.456 0.511 -7.276 1.00 0.68 H new ATOM 0 HA ASP A 29 15.346 0.610 -7.628 1.00 0.69 H new ATOM 0 HB2 ASP A 29 13.702 2.890 -6.461 1.00 1.04 H new ATOM 0 HB3 ASP A 29 15.439 2.732 -6.296 1.00 1.04 H new ATOM 464 N ARG A 30 15.227 -0.551 -5.364 1.00 0.62 N ATOM 465 CA ARG A 30 15.314 -0.989 -3.980 1.00 0.91 C ATOM 466 C ARG A 30 16.754 -0.826 -3.528 1.00 1.03 C ATOM 467 O ARG A 30 17.124 -1.106 -2.393 1.00 1.18 O ATOM 468 CB ARG A 30 14.770 -2.420 -3.836 1.00 1.63 C ATOM 469 CG ARG A 30 14.621 -2.935 -2.401 1.00 2.20 C ATOM 470 CD ARG A 30 15.886 -3.605 -1.884 1.00 2.58 C ATOM 471 NE ARG A 30 16.311 -4.712 -2.737 1.00 3.27 N ATOM 472 CZ ARG A 30 17.509 -4.785 -3.314 1.00 3.80 C ATOM 473 NH1 ARG A 30 18.394 -3.812 -3.127 1.00 3.96 N ATOM 474 NH2 ARG A 30 17.822 -5.833 -4.068 1.00 4.57 N ATOM 0 H ARG A 30 15.865 -1.019 -6.008 1.00 0.62 H new ATOM 0 HA ARG A 30 14.690 -0.380 -3.326 1.00 0.91 H new ATOM 0 HB2 ARG A 30 13.796 -2.469 -4.323 1.00 1.63 H new ATOM 0 HB3 ARG A 30 15.431 -3.096 -4.378 1.00 1.63 H new ATOM 0 HG2 ARG A 30 14.361 -2.103 -1.746 1.00 2.20 H new ATOM 0 HG3 ARG A 30 13.795 -3.645 -2.358 1.00 2.20 H new ATOM 0 HD2 ARG A 30 16.687 -2.868 -1.822 1.00 2.58 H new ATOM 0 HD3 ARG A 30 15.713 -3.973 -0.873 1.00 2.58 H new ATOM 0 HE ARG A 30 15.652 -5.473 -2.900 1.00 3.27 H new ATOM 0 HH11 ARG A 30 18.155 -3.011 -2.542 1.00 3.96 H new ATOM 0 HH12 ARG A 30 19.312 -3.866 -3.568 1.00 3.96 H new ATOM 0 HH21 ARG A 30 17.144 -6.583 -4.206 1.00 4.57 H new ATOM 0 HH22 ARG A 30 18.740 -5.888 -4.509 1.00 4.57 H new ATOM 488 N SER A 31 17.557 -0.309 -4.442 1.00 1.72 N ATOM 489 CA SER A 31 18.913 0.070 -4.136 1.00 2.60 C ATOM 490 C SER A 31 18.916 1.438 -3.460 1.00 2.41 C ATOM 491 O SER A 31 19.950 1.901 -2.975 1.00 2.90 O ATOM 492 CB SER A 31 19.742 0.099 -5.420 1.00 3.49 C ATOM 493 OG SER A 31 19.596 -1.117 -6.140 1.00 4.00 O ATOM 0 H SER A 31 17.283 -0.143 -5.410 1.00 1.72 H new ATOM 0 HA SER A 31 19.356 -0.658 -3.456 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.427 0.936 -6.043 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.792 0.260 -5.177 1.00 3.49 H new ATOM 0 HG SER A 31 20.133 -1.079 -6.959 1.00 4.00 H new ATOM 499 N ASP A 32 17.742 2.077 -3.413 1.00 1.76 N ATOM 500 CA ASP A 32 17.613 3.369 -2.803 1.00 1.59 C ATOM 501 C ASP A 32 16.648 3.228 -1.642 1.00 1.18 C ATOM 502 O ASP A 32 16.160 2.132 -1.362 1.00 1.25 O ATOM 503 CB ASP A 32 17.088 4.367 -3.844 1.00 1.59 C ATOM 504 CG ASP A 32 17.358 5.817 -3.489 1.00 1.92 C ATOM 505 OD1 ASP A 32 17.906 6.069 -2.397 1.00 2.37 O ATOM 506 OD2 ASP A 32 17.029 6.707 -4.298 1.00 2.08 O ATOM 0 H ASP A 32 16.874 1.703 -3.797 1.00 1.76 H new ATOM 0 HA ASP A 32 18.571 3.739 -2.439 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.546 4.147 -4.808 1.00 1.59 H new ATOM 0 HB3 ASP A 32 16.014 4.225 -3.961 1.00 1.59 H new ATOM 511 N GLN A 33 16.347 4.321 -0.997 1.00 1.02 N ATOM 512 CA GLN A 33 15.545 4.294 0.207 1.00 0.76 C ATOM 513 C GLN A 33 14.133 4.838 0.003 1.00 0.55 C ATOM 514 O GLN A 33 13.572 5.443 0.906 1.00 0.72 O ATOM 515 CB GLN A 33 16.279 5.075 1.274 1.00 1.03 C ATOM 516 CG GLN A 33 17.359 4.269 1.980 1.00 1.73 C ATOM 517 CD GLN A 33 17.824 4.912 3.272 1.00 2.18 C ATOM 518 OE1 GLN A 33 17.291 4.628 4.343 1.00 2.42 O ATOM 519 NE2 GLN A 33 18.814 5.784 3.181 1.00 2.92 N ATOM 0 H GLN A 33 16.646 5.253 -1.284 1.00 1.02 H new ATOM 0 HA GLN A 33 15.411 3.256 0.510 1.00 0.76 H new ATOM 0 HB2 GLN A 33 16.732 5.957 0.821 1.00 1.03 H new ATOM 0 HB3 GLN A 33 15.560 5.430 2.013 1.00 1.03 H new ATOM 0 HG2 GLN A 33 16.979 3.270 2.193 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.212 4.150 1.312 1.00 1.73 H new ATOM 0 HE21 GLN A 33 19.229 5.992 2.273 1.00 2.92 H new ATOM 0 HE22 GLN A 33 19.163 6.249 4.019 1.00 2.92 H new ATOM 528 N HIS A 34 13.549 4.620 -1.166 1.00 0.44 N ATOM 529 CA HIS A 34 12.224 5.179 -1.450 1.00 0.36 C ATOM 530 C HIS A 34 11.095 4.211 -1.103 1.00 0.32 C ATOM 531 O HIS A 34 9.986 4.637 -0.803 1.00 0.37 O ATOM 532 CB HIS A 34 12.095 5.580 -2.925 1.00 0.57 C ATOM 533 CG HIS A 34 12.781 6.865 -3.285 1.00 0.85 C ATOM 534 ND1 HIS A 34 12.165 8.097 -3.207 1.00 1.54 N ATOM 535 CD2 HIS A 34 14.029 7.102 -3.751 1.00 1.29 C ATOM 536 CE1 HIS A 34 13.006 9.032 -3.608 1.00 1.61 C ATOM 537 NE2 HIS A 34 14.144 8.456 -3.943 1.00 1.34 N ATOM 0 H HIS A 34 13.957 4.072 -1.924 1.00 0.44 H new ATOM 0 HA HIS A 34 12.130 6.061 -0.817 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.503 4.780 -3.543 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.037 5.666 -3.173 1.00 0.57 H new ATOM 0 HD2 HIS A 34 14.793 6.362 -3.937 1.00 1.29 H new ATOM 0 HE1 HIS A 34 12.797 10.091 -3.654 1.00 1.61 H new ATOM 0 HE2 HIS A 34 14.974 8.938 -4.288 1.00 1.34 H new ATOM 546 N ILE A 35 11.372 2.916 -1.156 1.00 0.38 N ATOM 547 CA ILE A 35 10.309 1.910 -1.101 1.00 0.45 C ATOM 548 C ILE A 35 9.976 1.445 0.319 1.00 0.46 C ATOM 549 O ILE A 35 9.424 0.353 0.492 1.00 0.63 O ATOM 550 CB ILE A 35 10.653 0.670 -1.968 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.751 -0.212 -1.328 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.073 1.111 -3.359 1.00 1.51 C ATOM 553 CD1 ILE A 35 13.128 0.421 -1.246 1.00 2.04 C ATOM 0 H ILE A 35 12.315 2.534 -1.236 1.00 0.38 H new ATOM 0 HA ILE A 35 9.428 2.412 -1.501 1.00 0.45 H new ATOM 0 HB ILE A 35 9.753 0.059 -2.034 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.434 -0.484 -0.321 1.00 1.16 H new ATOM 0 HG13 ILE A 35 11.828 -1.137 -1.899 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.313 0.235 -3.962 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.257 1.662 -3.828 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.951 1.753 -3.288 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.823 -0.279 -0.782 1.00 2.04 H new ATOM 0 HD12 ILE A 35 13.476 0.667 -2.249 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.075 1.330 -0.647 1.00 2.04 H new ATOM 565 N GLN A 36 10.273 2.247 1.336 1.00 0.38 N ATOM 566 CA GLN A 36 10.222 1.725 2.688 1.00 0.37 C ATOM 567 C GLN A 36 9.090 2.336 3.518 1.00 0.35 C ATOM 568 O GLN A 36 9.238 3.375 4.180 1.00 0.35 O ATOM 569 CB GLN A 36 11.575 1.978 3.346 1.00 0.43 C ATOM 570 CG GLN A 36 11.944 3.453 3.443 1.00 0.52 C ATOM 571 CD GLN A 36 13.419 3.654 3.674 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.231 2.910 2.937 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 13.827 4.516 4.450 1.00 1.29 N flip ATOM 0 H GLN A 36 10.542 3.227 1.253 1.00 0.38 H new ATOM 0 HA GLN A 36 10.011 0.657 2.640 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.568 1.548 4.348 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.347 1.456 2.781 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.649 3.961 2.525 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.384 3.914 4.257 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.164 5.065 4.997 1.00 1.29 H new ATOM 0 HE22 GLN A 36 14.829 4.682 4.546 1.00 1.29 H new ATOM 582 N LEU A 37 7.986 1.623 3.573 1.00 0.36 N ATOM 583 CA LEU A 37 6.874 2.029 4.401 1.00 0.35 C ATOM 584 C LEU A 37 6.667 0.997 5.488 1.00 0.37 C ATOM 585 O LEU A 37 6.754 -0.197 5.240 1.00 0.48 O ATOM 586 CB LEU A 37 5.611 2.242 3.557 1.00 0.38 C ATOM 587 CG LEU A 37 5.146 1.048 2.707 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.250 0.113 3.505 1.00 0.94 C ATOM 589 CD2 LEU A 37 4.425 1.539 1.463 1.00 0.94 C ATOM 0 H LEU A 37 7.836 0.758 3.053 1.00 0.36 H new ATOM 0 HA LEU A 37 7.095 2.987 4.872 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.797 2.523 4.225 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.784 3.088 2.892 1.00 0.38 H new ATOM 0 HG LEU A 37 6.030 0.485 2.407 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.939 -0.720 2.874 1.00 0.94 H new ATOM 0 HD12 LEU A 37 4.798 -0.269 4.366 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.370 0.657 3.847 1.00 0.94 H new ATOM 0 HD21 LEU A 37 4.101 0.684 0.869 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.556 2.129 1.755 1.00 0.94 H new ATOM 0 HD23 LEU A 37 5.100 2.157 0.871 1.00 0.94 H new ATOM 601 N GLN A 38 6.391 1.436 6.687 1.00 0.34 N ATOM 602 CA GLN A 38 6.322 0.514 7.789 1.00 0.39 C ATOM 603 C GLN A 38 4.882 0.030 7.917 1.00 0.40 C ATOM 604 O GLN A 38 3.998 0.763 8.354 1.00 0.41 O ATOM 605 CB GLN A 38 6.817 1.217 9.059 1.00 0.45 C ATOM 606 CG GLN A 38 7.588 0.324 10.023 1.00 0.93 C ATOM 607 CD GLN A 38 6.823 -0.916 10.441 1.00 1.37 C ATOM 608 OE1 GLN A 38 6.035 -0.884 11.381 1.00 2.05 O ATOM 609 NE2 GLN A 38 7.088 -2.030 9.775 1.00 2.12 N ATOM 0 H GLN A 38 6.213 2.412 6.924 1.00 0.34 H new ATOM 0 HA GLN A 38 6.960 -0.355 7.627 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.455 2.052 8.770 1.00 0.45 H new ATOM 0 HB3 GLN A 38 5.959 1.638 9.583 1.00 0.45 H new ATOM 0 HG2 GLN A 38 8.526 0.023 9.556 1.00 0.93 H new ATOM 0 HG3 GLN A 38 7.845 0.900 10.912 1.00 0.93 H new ATOM 0 HE21 GLN A 38 7.750 -2.015 8.999 1.00 2.12 H new ATOM 0 HE22 GLN A 38 6.630 -2.903 10.038 1.00 2.12 H new ATOM 618 N LEU A 39 4.667 -1.213 7.504 1.00 0.43 N ATOM 619 CA LEU A 39 3.333 -1.796 7.461 1.00 0.46 C ATOM 620 C LEU A 39 3.141 -2.721 8.649 1.00 0.55 C ATOM 621 O LEU A 39 3.640 -3.850 8.665 1.00 0.77 O ATOM 622 CB LEU A 39 3.126 -2.541 6.129 1.00 0.61 C ATOM 623 CG LEU A 39 1.727 -3.141 5.884 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.609 -4.540 6.475 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.644 -2.236 6.457 1.00 1.45 C ATOM 0 H LEU A 39 5.407 -1.841 7.192 1.00 0.43 H new ATOM 0 HA LEU A 39 2.585 -1.005 7.521 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.348 -1.851 5.315 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.857 -3.347 6.072 1.00 0.61 H new ATOM 0 HG LEU A 39 1.588 -3.217 4.806 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.610 -4.933 6.284 1.00 1.75 H new ATOM 0 HD12 LEU A 39 2.350 -5.193 6.014 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.782 -4.497 7.550 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.335 -2.679 6.273 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.795 -2.123 7.531 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.696 -1.258 5.978 1.00 1.45 H new ATOM 637 N SER A 40 2.457 -2.211 9.659 1.00 0.46 N ATOM 638 CA SER A 40 2.188 -2.961 10.872 1.00 0.56 C ATOM 639 C SER A 40 0.698 -3.277 11.010 1.00 0.42 C ATOM 640 O SER A 40 -0.145 -2.602 10.420 1.00 0.37 O ATOM 641 CB SER A 40 2.698 -2.163 12.077 1.00 0.71 C ATOM 642 OG SER A 40 2.300 -0.800 11.996 1.00 1.38 O ATOM 0 H SER A 40 2.073 -1.266 9.660 1.00 0.46 H new ATOM 0 HA SER A 40 2.712 -3.916 10.825 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.313 -2.603 12.997 1.00 0.71 H new ATOM 0 HB3 SER A 40 3.785 -2.225 12.124 1.00 0.71 H new ATOM 0 HG SER A 40 2.637 -0.314 12.777 1.00 1.38 H new ATOM 648 N ALA A 41 0.376 -4.307 11.773 1.00 0.56 N ATOM 649 CA ALA A 41 -1.011 -4.617 12.090 1.00 0.56 C ATOM 650 C ALA A 41 -1.218 -4.480 13.586 1.00 0.64 C ATOM 651 O ALA A 41 -0.911 -5.395 14.352 1.00 0.84 O ATOM 652 CB ALA A 41 -1.362 -6.016 11.624 1.00 0.89 C ATOM 0 H ALA A 41 1.056 -4.945 12.186 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.669 -3.920 11.571 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.402 -6.231 11.869 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.221 -6.086 10.545 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -0.715 -6.738 12.122 1.00 0.89 H new ATOM 658 N GLU A 42 -1.752 -3.342 13.998 1.00 0.92 N ATOM 659 CA GLU A 42 -1.654 -2.952 15.393 1.00 1.34 C ATOM 660 C GLU A 42 -2.902 -3.313 16.153 1.00 1.34 C ATOM 661 O GLU A 42 -2.827 -3.710 17.311 1.00 1.64 O ATOM 662 CB GLU A 42 -1.349 -1.461 15.533 1.00 1.88 C ATOM 663 CG GLU A 42 -0.331 -1.174 16.625 1.00 2.46 C ATOM 664 CD GLU A 42 0.973 -1.927 16.416 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.870 -1.390 15.732 1.00 3.12 O ATOM 666 OE2 GLU A 42 1.105 -3.062 16.920 1.00 2.70 O ATOM 0 H GLU A 42 -2.249 -2.683 13.398 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.823 -3.509 15.827 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.975 -1.079 14.583 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.272 -0.924 15.751 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -0.128 -0.104 16.656 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.753 -1.446 17.592 1.00 2.46 H new ATOM 673 N SER A 43 -4.051 -3.175 15.520 1.00 1.09 N ATOM 674 CA SER A 43 -5.282 -3.603 16.148 1.00 1.14 C ATOM 675 C SER A 43 -5.844 -4.795 15.404 1.00 1.00 C ATOM 676 O SER A 43 -5.422 -5.077 14.280 1.00 1.09 O ATOM 677 CB SER A 43 -6.274 -2.449 16.213 1.00 1.24 C ATOM 678 OG SER A 43 -5.644 -1.292 16.735 1.00 1.59 O ATOM 0 H SER A 43 -4.156 -2.777 14.587 1.00 1.09 H new ATOM 0 HA SER A 43 -5.082 -3.912 17.174 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.667 -2.241 15.218 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.123 -2.724 16.839 1.00 1.24 H new ATOM 0 HG SER A 43 -6.290 -0.556 16.771 1.00 1.59 H new ATOM 684 N VAL A 44 -6.764 -5.511 16.030 1.00 0.92 N ATOM 685 CA VAL A 44 -7.351 -6.677 15.406 1.00 0.91 C ATOM 686 C VAL A 44 -8.024 -6.277 14.098 1.00 0.77 C ATOM 687 O VAL A 44 -8.955 -5.476 14.076 1.00 0.79 O ATOM 688 CB VAL A 44 -8.378 -7.358 16.336 1.00 1.07 C ATOM 689 CG1 VAL A 44 -8.898 -8.637 15.712 1.00 1.85 C ATOM 690 CG2 VAL A 44 -7.768 -7.636 17.702 1.00 1.83 C ATOM 0 H VAL A 44 -7.116 -5.304 16.965 1.00 0.92 H new ATOM 0 HA VAL A 44 -6.552 -7.391 15.206 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.218 -6.677 16.471 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -9.620 -9.102 16.383 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.380 -8.408 14.762 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -8.068 -9.322 15.542 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -8.509 -8.116 18.341 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -6.906 -8.294 17.589 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -7.451 -6.698 18.157 1.00 1.83 H new ATOM 700 N GLY A 45 -7.516 -6.808 13.005 1.00 0.73 N ATOM 701 CA GLY A 45 -8.154 -6.614 11.728 1.00 0.67 C ATOM 702 C GLY A 45 -7.678 -5.374 10.998 1.00 0.54 C ATOM 703 O GLY A 45 -7.836 -5.284 9.783 1.00 0.56 O ATOM 0 H GLY A 45 -6.668 -7.374 12.979 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -7.970 -7.487 11.102 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.232 -6.548 11.875 1.00 0.67 H new ATOM 707 N GLU A 46 -7.103 -4.404 11.706 1.00 0.56 N ATOM 708 CA GLU A 46 -6.675 -3.189 11.046 1.00 0.50 C ATOM 709 C GLU A 46 -5.168 -3.062 10.950 1.00 0.40 C ATOM 710 O GLU A 46 -4.419 -3.528 11.806 1.00 0.48 O ATOM 711 CB GLU A 46 -7.316 -1.958 11.676 1.00 0.75 C ATOM 712 CG GLU A 46 -7.140 -1.830 13.172 1.00 1.02 C ATOM 713 CD GLU A 46 -7.970 -0.695 13.733 1.00 1.35 C ATOM 714 OE1 GLU A 46 -7.825 0.450 13.252 1.00 1.67 O ATOM 715 OE2 GLU A 46 -8.784 -0.941 14.647 1.00 1.80 O ATOM 0 H GLU A 46 -6.929 -4.439 12.710 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.030 -3.255 10.018 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.900 -1.069 11.201 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.383 -1.970 11.452 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.426 -2.765 13.654 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -6.088 -1.661 13.403 1.00 1.02 H new ATOM 722 N VAL A 47 -4.743 -2.461 9.853 1.00 0.33 N ATOM 723 CA VAL A 47 -3.340 -2.296 9.537 1.00 0.33 C ATOM 724 C VAL A 47 -3.000 -0.833 9.416 1.00 0.33 C ATOM 725 O VAL A 47 -3.807 -0.028 8.947 1.00 0.36 O ATOM 726 CB VAL A 47 -2.923 -3.008 8.242 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.956 -4.518 8.411 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.811 -2.573 7.089 1.00 0.48 C ATOM 0 H VAL A 47 -5.371 -2.070 9.151 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.790 -2.754 10.359 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.896 -2.723 8.013 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.656 -4.995 7.478 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.269 -4.810 9.205 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.967 -4.833 8.671 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.503 -3.087 6.178 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.848 -2.824 7.314 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.721 -1.496 6.947 1.00 0.48 H new ATOM 738 N TYR A 48 -1.817 -0.487 9.846 1.00 0.34 N ATOM 739 CA TYR A 48 -1.389 0.885 9.797 1.00 0.36 C ATOM 740 C TYR A 48 -0.192 0.987 8.872 1.00 0.38 C ATOM 741 O TYR A 48 0.837 0.335 9.073 1.00 0.39 O ATOM 742 CB TYR A 48 -1.047 1.367 11.210 1.00 0.41 C ATOM 743 CG TYR A 48 -0.565 2.798 11.292 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.443 3.865 11.126 1.00 0.91 C ATOM 745 CD2 TYR A 48 0.768 3.080 11.552 1.00 1.47 C ATOM 746 CE1 TYR A 48 -1.000 5.172 11.219 1.00 1.00 C ATOM 747 CE2 TYR A 48 1.216 4.381 11.644 1.00 1.79 C ATOM 748 CZ TYR A 48 0.332 5.423 11.478 1.00 1.23 C ATOM 749 OH TYR A 48 0.783 6.720 11.569 1.00 1.60 O ATOM 0 H TYR A 48 -1.132 -1.136 10.234 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.185 1.522 9.411 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.930 1.259 11.839 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.278 0.715 11.625 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -2.485 3.670 10.922 1.00 0.91 H new ATOM 0 HD2 TYR A 48 1.467 2.267 11.685 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -1.692 5.991 11.090 1.00 1.00 H new ATOM 0 HE2 TYR A 48 2.258 4.582 11.846 1.00 1.79 H new ATOM 0 HH TYR A 48 1.745 6.719 11.756 1.00 1.60 H new ATOM 759 N ILE A 49 -0.353 1.806 7.846 1.00 0.42 N ATOM 760 CA ILE A 49 0.658 1.968 6.824 1.00 0.44 C ATOM 761 C ILE A 49 1.302 3.326 6.988 1.00 0.42 C ATOM 762 O ILE A 49 0.662 4.360 6.787 1.00 0.52 O ATOM 763 CB ILE A 49 0.087 1.848 5.387 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.686 0.538 5.179 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.216 1.940 4.372 1.00 0.58 C ATOM 766 CD1 ILE A 49 -2.076 0.525 5.783 1.00 1.20 C ATOM 0 H ILE A 49 -1.188 2.374 7.702 1.00 0.42 H new ATOM 0 HA ILE A 49 1.384 1.165 6.950 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.612 2.672 5.245 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.767 0.345 4.109 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -0.109 -0.281 5.608 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.808 1.855 3.365 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.723 2.899 4.478 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.927 1.132 4.545 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.548 -0.438 5.588 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.007 0.684 6.859 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -2.674 1.320 5.337 1.00 1.20 H new ATOM 778 N LYS A 50 2.547 3.323 7.395 1.00 0.36 N ATOM 779 CA LYS A 50 3.228 4.555 7.705 1.00 0.37 C ATOM 780 C LYS A 50 4.488 4.712 6.879 1.00 0.35 C ATOM 781 O LYS A 50 5.104 3.738 6.461 1.00 0.36 O ATOM 782 CB LYS A 50 3.552 4.636 9.199 1.00 0.44 C ATOM 783 CG LYS A 50 4.462 3.528 9.699 1.00 0.93 C ATOM 784 CD LYS A 50 4.790 3.693 11.174 1.00 0.88 C ATOM 785 CE LYS A 50 5.506 5.005 11.443 1.00 1.35 C ATOM 786 NZ LYS A 50 5.862 5.163 12.876 1.00 1.86 N ATOM 0 H LYS A 50 3.109 2.481 7.519 1.00 0.36 H new ATOM 0 HA LYS A 50 2.557 5.376 7.452 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.021 5.598 9.406 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.620 4.608 9.764 1.00 0.44 H new ATOM 0 HG2 LYS A 50 3.982 2.563 9.539 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.385 3.525 9.119 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.871 3.653 11.759 1.00 0.88 H new ATOM 0 HD3 LYS A 50 5.414 2.863 11.504 1.00 0.88 H new ATOM 0 HE2 LYS A 50 6.411 5.055 10.837 1.00 1.35 H new ATOM 0 HE3 LYS A 50 4.870 5.835 11.134 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 6.349 6.072 13.015 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 4.997 5.142 13.453 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 6.490 4.386 13.165 1.00 1.86 H new ATOM 800 N SER A 51 4.859 5.949 6.656 1.00 0.40 N ATOM 801 CA SER A 51 6.122 6.273 6.099 1.00 0.39 C ATOM 802 C SER A 51 7.126 6.190 7.203 1.00 0.39 C ATOM 803 O SER A 51 6.903 6.695 8.307 1.00 0.48 O ATOM 804 CB SER A 51 6.069 7.722 5.602 1.00 0.48 C ATOM 805 OG SER A 51 7.261 8.096 4.939 1.00 1.10 O ATOM 0 H SER A 51 4.275 6.759 6.863 1.00 0.40 H new ATOM 0 HA SER A 51 6.379 5.602 5.280 1.00 0.39 H new ATOM 0 HB2 SER A 51 5.224 7.843 4.925 1.00 0.48 H new ATOM 0 HB3 SER A 51 5.899 8.390 6.447 1.00 0.48 H new ATOM 0 HG SER A 51 7.319 9.073 4.897 1.00 1.10 H new ATOM 811 N THR A 52 8.213 5.512 6.922 1.00 0.35 N ATOM 812 CA THR A 52 9.319 5.551 7.809 1.00 0.41 C ATOM 813 C THR A 52 10.002 6.872 7.552 1.00 0.45 C ATOM 814 O THR A 52 9.532 7.907 8.019 1.00 0.53 O ATOM 815 CB THR A 52 10.263 4.362 7.592 1.00 0.43 C ATOM 816 OG1 THR A 52 9.498 3.150 7.610 1.00 0.62 O ATOM 817 CG2 THR A 52 11.322 4.303 8.677 1.00 0.77 C ATOM 0 H THR A 52 8.342 4.936 6.090 1.00 0.35 H new ATOM 0 HA THR A 52 8.999 5.471 8.848 1.00 0.41 H new ATOM 0 HB THR A 52 10.762 4.483 6.631 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.583 2.722 8.488 1.00 0.62 H new ATOM 0 HG21 THR A 52 11.978 3.451 8.499 1.00 0.77 H new ATOM 0 HG22 THR A 52 11.909 5.222 8.663 1.00 0.77 H new ATOM 0 HG23 THR A 52 10.841 4.194 9.649 1.00 0.77 H new ATOM 825 N GLU A 53 11.083 6.885 6.826 1.00 0.46 N ATOM 826 CA GLU A 53 11.630 8.177 6.470 1.00 0.53 C ATOM 827 C GLU A 53 11.102 8.623 5.109 1.00 0.44 C ATOM 828 O GLU A 53 10.627 9.746 4.942 1.00 0.47 O ATOM 829 CB GLU A 53 13.156 8.137 6.479 1.00 0.68 C ATOM 830 CG GLU A 53 13.788 9.513 6.396 1.00 1.43 C ATOM 831 CD GLU A 53 15.231 9.510 6.837 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.506 9.161 8.001 1.00 2.11 O ATOM 833 OE2 GLU A 53 16.105 9.857 6.013 1.00 2.55 O ATOM 0 H GLU A 53 11.586 6.068 6.481 1.00 0.46 H new ATOM 0 HA GLU A 53 11.309 8.906 7.214 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.495 7.642 7.389 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.503 7.533 5.640 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.725 9.878 5.371 1.00 1.43 H new ATOM 0 HG3 GLU A 53 13.222 10.208 7.017 1.00 1.43 H new ATOM 840 N THR A 54 11.178 7.711 4.155 1.00 0.36 N ATOM 841 CA THR A 54 10.764 7.965 2.783 1.00 0.30 C ATOM 842 C THR A 54 9.548 7.127 2.347 1.00 0.31 C ATOM 843 O THR A 54 9.331 6.961 1.149 1.00 0.38 O ATOM 844 CB THR A 54 11.961 7.697 1.847 1.00 0.40 C ATOM 845 OG1 THR A 54 13.170 8.108 2.504 1.00 1.13 O ATOM 846 CG2 THR A 54 11.836 8.456 0.533 1.00 0.93 C ATOM 0 H THR A 54 11.531 6.767 4.310 1.00 0.36 H new ATOM 0 HA THR A 54 10.448 9.006 2.721 1.00 0.30 H new ATOM 0 HB THR A 54 11.979 6.630 1.623 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.936 7.939 1.916 1.00 1.13 H new ATOM 0 HG21 THR A 54 12.699 8.239 -0.096 1.00 0.93 H new ATOM 0 HG22 THR A 54 10.926 8.147 0.019 1.00 0.93 H new ATOM 0 HG23 THR A 54 11.793 9.526 0.734 1.00 0.93 H new ATOM 854 N GLY A 55 8.747 6.576 3.266 1.00 0.33 N ATOM 855 CA GLY A 55 7.988 5.415 2.844 1.00 0.40 C ATOM 856 C GLY A 55 6.597 5.664 2.318 1.00 0.46 C ATOM 857 O GLY A 55 6.157 4.871 1.493 1.00 0.56 O ATOM 0 H GLY A 55 8.617 6.889 4.228 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.557 4.901 2.069 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.914 4.732 3.690 1.00 0.40 H new ATOM 861 N GLN A 56 5.919 6.723 2.784 1.00 0.43 N ATOM 862 CA GLN A 56 4.850 7.415 2.039 1.00 0.54 C ATOM 863 C GLN A 56 3.802 8.047 2.952 1.00 0.56 C ATOM 864 O GLN A 56 3.441 7.511 3.998 1.00 0.63 O ATOM 865 CB GLN A 56 4.140 6.566 0.983 1.00 0.81 C ATOM 866 CG GLN A 56 3.383 5.366 1.504 1.00 0.91 C ATOM 867 CD GLN A 56 2.275 4.969 0.562 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.685 5.963 -0.084 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 1.929 3.798 0.437 1.00 1.06 N flip ATOM 0 H GLN A 56 6.098 7.131 3.702 1.00 0.43 H new ATOM 0 HA GLN A 56 5.396 8.197 1.510 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.443 7.204 0.440 1.00 0.81 H new ATOM 0 HB3 GLN A 56 4.882 6.220 0.264 1.00 0.81 H new ATOM 0 HG2 GLN A 56 4.069 4.529 1.636 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.966 5.594 2.485 1.00 0.91 H new ATOM 0 HE21 GLN A 56 2.413 3.065 0.955 1.00 1.06 H new ATOM 0 HE22 GLN A 56 1.157 3.558 -0.185 1.00 1.06 H new ATOM 878 N TYR A 57 3.280 9.167 2.495 1.00 0.57 N ATOM 879 CA TYR A 57 2.117 9.802 3.100 1.00 0.62 C ATOM 880 C TYR A 57 0.911 9.362 2.341 1.00 0.59 C ATOM 881 O TYR A 57 0.343 10.119 1.556 1.00 0.67 O ATOM 882 CB TYR A 57 2.199 11.343 3.115 1.00 0.76 C ATOM 883 CG TYR A 57 0.921 12.029 3.570 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.390 11.779 4.832 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.260 12.935 2.753 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.762 12.411 5.263 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.893 13.568 3.175 1.00 3.64 C ATOM 888 CZ TYR A 57 -1.438 13.267 4.377 1.00 3.91 C ATOM 889 OH TYR A 57 -2.547 13.939 4.852 1.00 4.98 O ATOM 0 H TYR A 57 3.650 9.669 1.688 1.00 0.57 H new ATOM 0 HA TYR A 57 2.068 9.496 4.145 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.015 11.646 3.771 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.449 11.692 2.113 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.887 11.078 5.487 1.00 2.17 H new ATOM 0 HD2 TYR A 57 0.654 13.149 1.770 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.136 12.249 6.263 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -1.362 14.307 2.543 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.921 14.498 4.139 1.00 4.98 H new ATOM 899 N LEU A 58 0.520 8.140 2.571 1.00 0.55 N ATOM 900 CA LEU A 58 -0.540 7.570 1.799 1.00 0.58 C ATOM 901 C LEU A 58 -1.844 8.129 2.277 1.00 0.56 C ATOM 902 O LEU A 58 -2.362 7.793 3.338 1.00 0.72 O ATOM 903 CB LEU A 58 -0.564 6.060 1.892 1.00 0.70 C ATOM 904 CG LEU A 58 -0.356 5.515 3.271 1.00 1.32 C ATOM 905 CD1 LEU A 58 -1.153 4.227 3.400 1.00 1.59 C ATOM 906 CD2 LEU A 58 1.100 5.236 3.592 1.00 1.85 C ATOM 0 H LEU A 58 0.918 7.526 3.282 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.375 7.827 0.753 1.00 0.58 H new ATOM 0 HB2 LEU A 58 -1.522 5.701 1.515 1.00 0.70 H new ATOM 0 HB3 LEU A 58 0.208 5.657 1.236 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.693 6.272 3.979 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -1.015 3.812 4.399 1.00 1.59 H new ATOM 0 HD12 LEU A 58 -2.210 4.435 3.236 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.806 3.508 2.658 1.00 1.59 H new ATOM 0 HD21 LEU A 58 1.180 4.843 4.606 1.00 1.85 H new ATOM 0 HD22 LEU A 58 1.494 4.504 2.887 1.00 1.85 H new ATOM 0 HD23 LEU A 58 1.673 6.160 3.514 1.00 1.85 H new ATOM 918 N ALA A 59 -2.328 9.026 1.485 1.00 0.47 N ATOM 919 CA ALA A 59 -3.553 9.695 1.742 1.00 0.46 C ATOM 920 C ALA A 59 -4.549 9.241 0.703 1.00 0.46 C ATOM 921 O ALA A 59 -4.332 9.432 -0.499 1.00 0.51 O ATOM 922 CB ALA A 59 -3.322 11.195 1.691 1.00 0.54 C ATOM 0 H ALA A 59 -1.870 9.319 0.622 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.943 9.459 2.732 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.260 11.714 1.888 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.587 11.476 2.445 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.953 11.473 0.704 1.00 0.54 H new ATOM 928 N MET A 60 -5.612 8.599 1.141 1.00 0.48 N ATOM 929 CA MET A 60 -6.617 8.157 0.195 1.00 0.52 C ATOM 930 C MET A 60 -7.546 9.314 -0.144 1.00 0.55 C ATOM 931 O MET A 60 -8.223 9.866 0.725 1.00 0.74 O ATOM 932 CB MET A 60 -7.392 6.985 0.800 1.00 0.66 C ATOM 933 CG MET A 60 -6.871 5.616 0.377 1.00 1.76 C ATOM 934 SD MET A 60 -5.069 5.549 0.205 1.00 2.80 S ATOM 935 CE MET A 60 -4.528 5.849 1.882 1.00 3.74 C ATOM 0 H MET A 60 -5.801 8.376 2.118 1.00 0.48 H new ATOM 0 HA MET A 60 -6.143 7.823 -0.728 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.352 7.058 1.887 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.440 7.069 0.513 1.00 0.66 H new ATOM 0 HG2 MET A 60 -7.186 4.874 1.111 1.00 1.76 H new ATOM 0 HG3 MET A 60 -7.329 5.339 -0.573 1.00 1.76 H new ATOM 0 HE1 MET A 60 -3.658 5.229 2.100 1.00 3.74 H new ATOM 0 HE2 MET A 60 -4.262 6.900 1.996 1.00 3.74 H new ATOM 0 HE3 MET A 60 -5.333 5.601 2.574 1.00 3.74 H new ATOM 945 N ASP A 61 -7.560 9.686 -1.425 1.00 0.51 N ATOM 946 CA ASP A 61 -8.291 10.866 -1.867 1.00 0.56 C ATOM 947 C ASP A 61 -9.599 10.438 -2.474 1.00 0.56 C ATOM 948 O ASP A 61 -9.667 10.047 -3.644 1.00 0.64 O ATOM 949 CB ASP A 61 -7.486 11.657 -2.885 1.00 0.71 C ATOM 950 CG ASP A 61 -8.035 13.051 -3.113 1.00 1.02 C ATOM 951 OD1 ASP A 61 -7.651 13.974 -2.365 1.00 1.58 O ATOM 952 OD2 ASP A 61 -8.860 13.231 -4.033 1.00 1.34 O ATOM 0 H ASP A 61 -7.074 9.186 -2.170 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.472 11.509 -1.005 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -6.452 11.729 -2.547 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.475 11.117 -3.832 1.00 0.71 H new ATOM 957 N THR A 62 -10.616 10.423 -1.636 1.00 0.65 N ATOM 958 CA THR A 62 -11.926 9.924 -1.996 1.00 0.83 C ATOM 959 C THR A 62 -11.863 8.412 -2.238 1.00 0.87 C ATOM 960 O THR A 62 -12.892 7.755 -2.382 1.00 1.31 O ATOM 961 CB THR A 62 -12.468 10.650 -3.237 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.322 12.066 -3.072 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.931 10.325 -3.464 1.00 1.55 C ATOM 0 H THR A 62 -10.554 10.761 -0.676 1.00 0.65 H new ATOM 0 HA THR A 62 -12.610 10.119 -1.170 1.00 0.83 H new ATOM 0 HB THR A 62 -11.897 10.313 -4.102 1.00 0.97 H new ATOM 0 HG1 THR A 62 -12.667 12.525 -3.866 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.288 10.852 -4.349 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.047 9.251 -3.610 1.00 1.55 H new ATOM 0 HG23 THR A 62 -14.512 10.637 -2.596 1.00 1.55 H new ATOM 971 N ASP A 63 -10.627 7.894 -2.311 1.00 0.78 N ATOM 972 CA ASP A 63 -10.346 6.467 -2.391 1.00 0.88 C ATOM 973 C ASP A 63 -10.518 6.032 -3.829 1.00 0.87 C ATOM 974 O ASP A 63 -10.622 4.858 -4.159 1.00 0.96 O ATOM 975 CB ASP A 63 -11.234 5.693 -1.426 1.00 1.05 C ATOM 976 CG ASP A 63 -10.836 4.251 -1.260 1.00 1.19 C ATOM 977 OD1 ASP A 63 -9.647 3.991 -0.983 1.00 1.54 O ATOM 978 OD2 ASP A 63 -11.738 3.390 -1.319 1.00 1.42 O ATOM 0 H ASP A 63 -9.786 8.472 -2.316 1.00 0.78 H new ATOM 0 HA ASP A 63 -9.320 6.255 -2.089 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -11.209 6.182 -0.452 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -12.264 5.738 -1.779 1.00 1.05 H new ATOM 983 N GLY A 64 -10.525 7.042 -4.681 1.00 0.82 N ATOM 984 CA GLY A 64 -10.581 6.829 -6.112 1.00 0.89 C ATOM 985 C GLY A 64 -9.193 6.844 -6.709 1.00 0.90 C ATOM 986 O GLY A 64 -8.945 6.285 -7.780 1.00 1.17 O ATOM 0 H GLY A 64 -10.492 8.023 -4.402 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.063 5.875 -6.324 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.190 7.604 -6.576 1.00 0.89 H new ATOM 990 N LEU A 65 -8.292 7.489 -5.988 1.00 0.72 N ATOM 991 CA LEU A 65 -6.900 7.587 -6.367 1.00 0.71 C ATOM 992 C LEU A 65 -6.052 7.688 -5.106 1.00 0.67 C ATOM 993 O LEU A 65 -6.294 8.545 -4.247 1.00 0.79 O ATOM 994 CB LEU A 65 -6.686 8.801 -7.274 1.00 0.74 C ATOM 995 CG LEU A 65 -6.730 10.178 -6.601 1.00 1.41 C ATOM 996 CD1 LEU A 65 -6.006 11.206 -7.456 1.00 2.03 C ATOM 997 CD2 LEU A 65 -8.170 10.614 -6.376 1.00 2.04 C ATOM 0 H LEU A 65 -8.513 7.964 -5.113 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.602 6.699 -6.925 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -5.719 8.693 -7.765 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -7.445 8.780 -8.056 1.00 0.74 H new ATOM 0 HG LEU A 65 -6.230 10.105 -5.635 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -6.045 12.179 -6.966 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -4.966 10.906 -7.584 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.487 11.271 -8.432 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -8.183 11.593 -5.898 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -8.687 10.671 -7.334 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -8.673 9.890 -5.735 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.115 6.764 -4.941 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.311 6.748 -3.738 1.00 0.68 C ATOM 1011 C LEU A 66 -2.940 7.373 -3.957 1.00 0.63 C ATOM 1012 O LEU A 66 -2.161 6.960 -4.822 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.160 5.321 -3.243 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.438 4.472 -3.246 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -6.697 5.274 -2.965 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -5.594 3.714 -4.545 1.00 1.56 C ATOM 0 H LEU A 66 -4.899 6.030 -5.615 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.825 7.348 -2.987 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.413 4.820 -3.859 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -3.768 5.349 -2.226 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.317 3.764 -2.426 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -7.562 4.611 -2.982 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -6.619 5.743 -1.984 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -6.815 6.045 -3.727 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -6.509 3.123 -4.514 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -5.646 4.420 -5.374 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -4.739 3.052 -4.685 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.628 8.359 -3.155 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.345 9.013 -3.294 1.00 0.63 C ATOM 1030 C TYR A 67 -0.636 8.951 -1.975 1.00 0.70 C ATOM 1031 O TYR A 67 -1.276 8.795 -0.955 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.490 10.457 -3.799 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.135 11.426 -2.831 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.516 11.555 -2.753 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.354 12.239 -2.018 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.099 12.462 -1.888 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -1.929 13.143 -1.148 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.302 13.252 -1.088 1.00 1.21 C ATOM 1039 OH TYR A 67 -3.879 14.160 -0.228 1.00 1.64 O ATOM 0 H TYR A 67 -3.227 8.723 -2.414 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.753 8.493 -4.048 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.500 10.834 -4.057 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.076 10.445 -4.718 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.144 10.937 -3.378 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.278 12.162 -2.068 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.174 12.551 -1.839 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -1.307 13.761 -0.518 1.00 1.16 H new ATOM 0 HH TYR A 67 -3.178 14.636 0.264 1.00 1.64 H new ATOM 1049 N GLY A 68 0.674 9.022 -1.978 1.00 0.66 N ATOM 1050 CA GLY A 68 1.369 8.960 -0.727 1.00 0.80 C ATOM 1051 C GLY A 68 2.774 9.444 -0.804 1.00 0.81 C ATOM 1052 O GLY A 68 3.511 9.018 -1.684 1.00 0.85 O ATOM 0 H GLY A 68 1.260 9.120 -2.807 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.828 9.554 0.010 1.00 0.80 H new ATOM 0 HA3 GLY A 68 1.367 7.930 -0.370 1.00 0.80 H new ATOM 1056 N SER A 69 3.185 10.325 0.104 1.00 0.91 N ATOM 1057 CA SER A 69 4.628 10.667 0.077 1.00 1.08 C ATOM 1058 C SER A 69 5.366 10.990 1.402 1.00 1.38 C ATOM 1059 O SER A 69 6.291 10.269 1.757 1.00 1.62 O ATOM 1060 CB SER A 69 4.845 11.835 -0.888 1.00 1.08 C ATOM 1061 OG SER A 69 4.367 11.525 -2.187 1.00 1.39 O ATOM 0 H SER A 69 2.612 10.786 0.811 1.00 0.91 H new ATOM 0 HA SER A 69 5.080 9.724 -0.231 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.333 12.721 -0.511 1.00 1.08 H new ATOM 0 HB3 SER A 69 5.907 12.077 -0.937 1.00 1.08 H new ATOM 0 HG SER A 69 4.366 10.553 -2.312 1.00 1.39 H new ATOM 1067 N GLN A 70 4.972 12.007 2.150 1.00 1.49 N ATOM 1068 CA GLN A 70 5.866 12.484 3.229 1.00 1.85 C ATOM 1069 C GLN A 70 5.702 11.809 4.606 1.00 1.93 C ATOM 1070 O GLN A 70 6.681 11.401 5.234 1.00 2.19 O ATOM 1071 CB GLN A 70 5.715 13.996 3.389 1.00 2.07 C ATOM 1072 CG GLN A 70 6.698 14.596 4.379 1.00 2.63 C ATOM 1073 CD GLN A 70 6.519 16.088 4.549 1.00 3.22 C ATOM 1074 OE1 GLN A 70 7.131 16.880 3.834 1.00 3.66 O ATOM 1075 NE2 GLN A 70 5.684 16.480 5.497 1.00 3.79 N ATOM 0 H GLN A 70 4.088 12.507 2.052 1.00 1.49 H new ATOM 0 HA GLN A 70 6.865 12.200 2.897 1.00 1.85 H new ATOM 0 HB2 GLN A 70 5.851 14.473 2.418 1.00 2.07 H new ATOM 0 HB3 GLN A 70 4.699 14.220 3.715 1.00 2.07 H new ATOM 0 HG2 GLN A 70 6.577 14.107 5.346 1.00 2.63 H new ATOM 0 HG3 GLN A 70 7.715 14.392 4.044 1.00 2.63 H new ATOM 0 HE21 GLN A 70 5.198 15.788 6.066 1.00 3.79 H new ATOM 0 HE22 GLN A 70 5.527 17.475 5.659 1.00 3.79 H new ATOM 1084 N THR A 71 4.468 11.669 5.039 1.00 1.75 N ATOM 1085 CA THR A 71 4.157 11.439 6.466 1.00 1.78 C ATOM 1086 C THR A 71 3.171 10.277 6.626 1.00 1.56 C ATOM 1087 O THR A 71 2.699 9.759 5.642 1.00 1.63 O ATOM 1088 CB THR A 71 3.545 12.741 7.045 1.00 1.94 C ATOM 1089 OG1 THR A 71 4.217 13.874 6.478 1.00 2.26 O ATOM 1090 CG2 THR A 71 3.668 12.820 8.559 1.00 2.31 C ATOM 0 H THR A 71 3.648 11.708 4.434 1.00 1.75 H new ATOM 0 HA THR A 71 5.069 11.178 7.003 1.00 1.78 H new ATOM 0 HB THR A 71 2.485 12.738 6.791 1.00 1.94 H new ATOM 0 HG1 THR A 71 3.597 14.631 6.429 1.00 2.26 H new ATOM 0 HG21 THR A 71 3.224 13.751 8.912 1.00 2.31 H new ATOM 0 HG22 THR A 71 3.148 11.975 9.011 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.721 12.791 8.841 1.00 2.31 H new ATOM 1098 N PRO A 72 2.837 9.808 7.836 1.00 1.41 N ATOM 1099 CA PRO A 72 1.631 9.029 7.996 1.00 1.20 C ATOM 1100 C PRO A 72 0.596 9.695 8.920 1.00 1.04 C ATOM 1101 O PRO A 72 0.731 9.684 10.147 1.00 1.06 O ATOM 1102 CB PRO A 72 2.189 7.793 8.680 1.00 1.31 C ATOM 1103 CG PRO A 72 3.360 8.293 9.500 1.00 1.49 C ATOM 1104 CD PRO A 72 3.660 9.712 9.038 1.00 1.53 C ATOM 0 HA PRO A 72 1.102 8.871 7.056 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.438 7.319 9.312 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.507 7.048 7.951 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.120 8.277 10.563 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.230 7.651 9.360 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.381 10.454 9.786 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.719 9.858 8.823 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.429 10.294 8.322 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.598 10.747 9.065 1.00 0.86 C ATOM 1114 C ASN A 73 -2.561 9.609 8.980 1.00 0.68 C ATOM 1115 O ASN A 73 -2.241 8.628 8.303 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.192 12.030 8.472 1.00 0.98 C ATOM 1117 CG ASN A 73 -1.448 13.276 8.918 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -1.756 13.854 9.959 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -0.472 13.707 8.134 1.00 2.17 N ATOM 0 H ASN A 73 -0.473 10.477 7.320 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.349 11.002 10.095 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.170 11.968 7.384 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -3.239 12.111 8.765 1.00 0.98 H new ATOM 0 HD21 ASN A 73 0.053 14.545 8.386 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -0.245 13.201 7.278 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.748 9.661 9.538 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.579 8.590 9.127 1.00 0.47 C ATOM 1128 C GLU A 74 -5.608 9.110 8.165 1.00 0.52 C ATOM 1129 O GLU A 74 -6.641 9.687 8.487 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.223 7.896 10.332 1.00 0.49 C ATOM 1131 CG GLU A 74 -5.878 8.844 11.323 1.00 1.15 C ATOM 1132 CD GLU A 74 -6.296 8.146 12.599 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -5.418 7.858 13.437 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -7.502 7.867 12.770 1.00 1.84 O ATOM 0 H GLU A 74 -4.116 10.347 10.196 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.976 7.836 8.621 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.972 7.190 9.973 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.461 7.315 10.852 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -5.185 9.650 11.563 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.752 9.303 10.860 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.244 8.786 6.957 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.064 8.643 5.789 1.00 0.52 C ATOM 1143 C GLU A 75 -5.687 7.295 5.216 1.00 0.40 C ATOM 1144 O GLU A 75 -6.337 6.751 4.324 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.689 9.716 4.780 1.00 0.69 C ATOM 1146 CG GLU A 75 -5.963 11.141 5.231 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.439 11.475 5.269 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -8.136 11.236 4.261 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -7.916 11.941 6.323 1.00 2.16 O ATOM 0 H GLU A 75 -4.264 8.596 6.745 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.127 8.728 6.016 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.628 9.621 4.548 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.235 9.532 3.855 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -5.536 11.291 6.223 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.457 11.833 4.558 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.511 6.856 5.688 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.849 5.663 5.251 1.00 0.47 C ATOM 1158 C CYS A 76 -4.373 4.377 5.907 1.00 0.40 C ATOM 1159 O CYS A 76 -3.956 3.282 5.538 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.384 5.825 5.638 1.00 0.68 C ATOM 1161 SG CYS A 76 -2.077 5.801 7.419 1.00 1.40 S ATOM 0 H CYS A 76 -3.993 7.355 6.411 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.021 5.553 4.180 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.807 5.027 5.171 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.015 6.766 5.230 1.00 0.68 H new ATOM 0 HG CYS A 76 -1.816 7.006 7.831 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.252 4.500 6.890 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.605 3.355 7.729 1.00 0.46 C ATOM 1169 C LEU A 77 -6.644 2.484 7.042 1.00 0.39 C ATOM 1170 O LEU A 77 -7.689 2.978 6.616 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.134 3.830 9.085 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.569 3.099 10.308 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -5.933 3.843 11.582 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -6.087 1.670 10.372 1.00 1.59 C ATOM 0 H LEU A 77 -5.731 5.368 7.128 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.705 2.761 7.889 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -5.917 4.893 9.187 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -7.219 3.724 9.089 1.00 0.66 H new ATOM 0 HG LEU A 77 -4.484 3.068 10.214 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -5.525 3.312 12.442 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -5.518 4.850 11.547 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.018 3.901 11.672 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -5.672 1.172 11.248 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -7.175 1.680 10.441 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -5.786 1.133 9.473 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.372 1.188 6.938 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.309 0.291 6.288 1.00 0.39 C ATOM 1188 C PHE A 78 -7.527 -0.957 7.135 1.00 0.36 C ATOM 1189 O PHE A 78 -6.750 -1.246 8.047 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.852 -0.150 4.889 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.137 0.884 4.079 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.787 2.033 3.662 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.815 0.693 3.715 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -6.129 2.973 2.900 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.153 1.628 2.950 1.00 0.78 C ATOM 1196 CZ PHE A 78 -4.810 2.769 2.543 1.00 0.84 C ATOM 0 H PHE A 78 -5.524 0.744 7.290 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.235 0.855 6.180 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.198 -1.015 4.998 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.727 -0.481 4.330 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.819 2.194 3.937 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.297 -0.199 4.034 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -6.643 3.868 2.582 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.122 1.467 2.670 1.00 0.78 H new ATOM 0 HZ PHE A 78 -4.293 3.505 1.944 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.597 -1.679 6.839 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.856 -2.967 7.472 1.00 0.37 C ATOM 1208 C LEU A 79 -8.321 -4.069 6.561 1.00 0.35 C ATOM 1209 O LEU A 79 -8.540 -4.033 5.354 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.362 -3.132 7.738 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.774 -4.352 8.576 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.082 -4.073 9.300 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.924 -5.589 7.701 1.00 1.09 C ATOM 0 H LEU A 79 -9.304 -1.395 6.161 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.350 -3.028 8.435 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.721 -2.234 8.241 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.875 -3.187 6.778 1.00 0.44 H new ATOM 0 HG LEU A 79 -9.989 -4.540 9.308 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.364 -4.945 9.891 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -11.957 -3.213 9.958 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.864 -3.861 8.570 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -11.216 -6.438 8.319 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.689 -5.410 6.945 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.974 -5.806 7.212 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.619 -5.039 7.126 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.914 -6.027 6.322 1.00 0.42 C ATOM 1227 C GLU A 80 -7.703 -7.321 6.188 1.00 0.40 C ATOM 1228 O GLU A 80 -8.067 -7.957 7.180 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.542 -6.330 6.923 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.761 -7.379 6.145 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.406 -7.672 6.751 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -3.347 -8.386 7.772 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.394 -7.174 6.217 1.00 2.07 O ATOM 0 H GLU A 80 -7.522 -5.164 8.134 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.792 -5.598 5.328 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.960 -5.410 6.963 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.671 -6.671 7.950 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -5.342 -8.300 6.103 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.628 -7.039 5.118 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.960 -7.694 4.943 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.596 -8.947 4.614 1.00 0.39 C ATOM 1242 C ARG A 81 -7.741 -9.620 3.562 1.00 0.48 C ATOM 1243 O ARG A 81 -7.762 -9.227 2.406 1.00 0.75 O ATOM 1244 CB ARG A 81 -10.009 -8.701 4.075 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.734 -9.965 3.642 1.00 0.76 C ATOM 1246 CD ARG A 81 -12.043 -9.645 2.938 1.00 1.34 C ATOM 1247 NE ARG A 81 -12.756 -10.854 2.534 1.00 2.05 N ATOM 1248 CZ ARG A 81 -13.425 -10.990 1.388 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -13.486 -9.987 0.519 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -14.034 -12.134 1.112 1.00 3.75 N ATOM 0 H ARG A 81 -7.728 -7.125 4.129 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.686 -9.578 5.498 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.598 -8.202 4.844 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.950 -8.020 3.226 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -10.093 -10.543 2.976 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.932 -10.589 4.514 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -12.676 -9.055 3.600 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.842 -9.032 2.060 1.00 1.34 H new ATOM 0 HE ARG A 81 -12.741 -11.649 3.172 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -13.019 -9.104 0.726 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -14.000 -10.100 -0.355 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -13.991 -12.908 1.775 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -14.546 -12.241 0.236 1.00 3.75 H new ATOM 1264 N LEU A 82 -6.994 -10.625 3.946 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.045 -11.230 3.030 1.00 0.82 C ATOM 1266 C LEU A 82 -6.633 -12.473 2.397 1.00 0.66 C ATOM 1267 O LEU A 82 -6.695 -13.535 3.019 1.00 0.84 O ATOM 1268 CB LEU A 82 -4.742 -11.574 3.763 1.00 1.25 C ATOM 1269 CG LEU A 82 -4.906 -12.256 5.125 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -3.758 -13.222 5.375 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -4.965 -11.222 6.241 1.00 1.65 C ATOM 0 H LEU A 82 -7.020 -11.042 4.876 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.824 -10.512 2.240 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -4.146 -12.223 3.121 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -4.172 -10.655 3.904 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.843 -12.813 5.116 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -3.889 -13.699 6.346 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -3.747 -13.984 4.595 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -2.814 -12.677 5.362 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -5.082 -11.728 7.200 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -4.043 -10.640 6.247 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -5.813 -10.557 6.076 1.00 1.65 H new ATOM 1283 N GLU A 83 -7.092 -12.342 1.162 1.00 0.76 N ATOM 1284 CA GLU A 83 -7.612 -13.500 0.470 1.00 0.82 C ATOM 1285 C GLU A 83 -6.855 -13.763 -0.819 1.00 1.29 C ATOM 1286 O GLU A 83 -7.076 -13.099 -1.832 1.00 2.03 O ATOM 1287 CB GLU A 83 -9.103 -13.326 0.176 1.00 1.39 C ATOM 1288 CG GLU A 83 -9.723 -14.512 -0.549 1.00 1.89 C ATOM 1289 CD GLU A 83 -9.677 -15.790 0.264 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -8.603 -16.433 0.324 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -10.721 -16.169 0.838 1.00 2.48 O ATOM 0 H GLU A 83 -7.114 -11.469 0.634 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.477 -14.361 1.124 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -9.634 -13.167 1.115 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -9.244 -12.428 -0.426 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -10.760 -14.280 -0.794 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -9.200 -14.669 -1.492 1.00 1.89 H new ATOM 1298 N GLU A 84 -5.958 -14.710 -0.772 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.573 -15.495 -1.922 1.00 1.78 C ATOM 1300 C GLU A 84 -5.082 -16.813 -1.377 1.00 1.46 C ATOM 1301 O GLU A 84 -4.100 -17.360 -1.853 1.00 1.49 O ATOM 1302 CB GLU A 84 -4.504 -14.809 -2.769 1.00 2.65 C ATOM 1303 CG GLU A 84 -4.706 -14.986 -4.270 1.00 3.44 C ATOM 1304 CD GLU A 84 -4.823 -16.438 -4.690 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -5.942 -16.992 -4.632 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -3.802 -17.030 -5.094 1.00 4.35 O ATOM 0 H GLU A 84 -5.462 -14.966 0.082 1.00 1.26 H new ATOM 0 HA GLU A 84 -6.420 -15.628 -2.595 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -4.495 -13.744 -2.535 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -3.526 -15.204 -2.494 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -5.607 -14.453 -4.574 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -3.870 -14.528 -4.799 1.00 3.44 H new ATOM 1313 N ASN A 85 -5.707 -17.235 -0.281 1.00 1.98 N ATOM 1314 CA ASN A 85 -5.146 -18.248 0.624 1.00 2.36 C ATOM 1315 C ASN A 85 -3.670 -17.962 0.921 1.00 1.83 C ATOM 1316 O ASN A 85 -2.906 -18.848 1.307 1.00 2.36 O ATOM 1317 CB ASN A 85 -5.363 -19.698 0.123 1.00 3.24 C ATOM 1318 CG ASN A 85 -4.533 -20.088 -1.094 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -3.392 -20.529 -0.968 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -5.112 -19.956 -2.278 1.00 4.33 N ATOM 0 H ASN A 85 -6.620 -16.886 0.010 1.00 1.98 H new ATOM 0 HA ASN A 85 -5.700 -18.173 1.560 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -5.133 -20.386 0.937 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -6.418 -19.830 -0.118 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -4.610 -20.224 -3.124 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -6.060 -19.586 -2.344 1.00 4.33 H new ATOM 1327 N HIS A 86 -3.305 -16.690 0.765 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.951 -16.210 1.015 1.00 1.29 C ATOM 1329 C HIS A 86 -1.832 -14.679 0.864 1.00 1.07 C ATOM 1330 O HIS A 86 -1.139 -14.036 1.647 1.00 1.43 O ATOM 1331 CB HIS A 86 -0.949 -16.913 0.080 1.00 2.00 C ATOM 1332 CG HIS A 86 0.488 -16.536 0.313 1.00 2.54 C ATOM 1333 ND1 HIS A 86 1.457 -16.628 -0.664 1.00 3.33 N ATOM 1334 CD2 HIS A 86 1.118 -16.071 1.419 1.00 3.02 C ATOM 1335 CE1 HIS A 86 2.616 -16.233 -0.169 1.00 3.99 C ATOM 1336 NE2 HIS A 86 2.438 -15.890 1.091 1.00 3.81 N ATOM 0 H HIS A 86 -3.948 -15.960 0.459 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.714 -16.454 2.050 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -1.053 -17.991 0.201 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -1.210 -16.681 -0.953 1.00 2.00 H new ATOM 0 HD2 HIS A 86 0.665 -15.879 2.380 1.00 3.02 H new ATOM 0 HE1 HIS A 86 3.552 -16.197 -0.706 1.00 3.99 H new ATOM 0 HE2 HIS A 86 3.163 -15.546 1.720 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.505 -14.093 -0.125 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.279 -12.676 -0.456 1.00 0.49 C ATOM 1347 C TYR A 87 -3.227 -11.734 0.286 1.00 0.46 C ATOM 1348 O TYR A 87 -4.394 -12.056 0.539 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.388 -12.441 -1.965 1.00 0.61 C ATOM 1350 CG TYR A 87 -1.249 -13.043 -2.763 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.202 -14.405 -3.033 1.00 1.38 C ATOM 1352 CD2 TYR A 87 -0.221 -12.245 -3.248 1.00 1.67 C ATOM 1353 CE1 TYR A 87 -0.166 -14.954 -3.760 1.00 2.16 C ATOM 1354 CE2 TYR A 87 0.819 -12.787 -3.979 1.00 2.52 C ATOM 1355 CZ TYR A 87 0.841 -14.142 -4.232 1.00 2.70 C ATOM 1356 OH TYR A 87 1.874 -14.689 -4.956 1.00 3.60 O ATOM 0 H TYR A 87 -3.200 -14.562 -0.705 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.266 -12.445 -0.126 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.329 -12.860 -2.321 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -2.424 -11.368 -2.154 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -1.991 -15.046 -2.667 1.00 1.38 H new ATOM 0 HD2 TYR A 87 -0.235 -11.183 -3.051 1.00 1.67 H new ATOM 0 HE1 TYR A 87 -0.145 -16.015 -3.958 1.00 2.16 H new ATOM 0 HE2 TYR A 87 1.610 -12.152 -4.350 1.00 2.52 H new ATOM 0 HH TYR A 87 2.501 -13.982 -5.216 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.713 -10.542 0.573 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.376 -9.575 1.429 1.00 0.38 C ATOM 1368 C ASN A 88 -4.183 -8.589 0.614 1.00 0.34 C ATOM 1369 O ASN A 88 -3.780 -8.178 -0.474 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.329 -8.809 2.246 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.592 -9.678 3.250 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -2.067 -9.691 4.484 1.00 1.80 O flip ATOM 1373 ND2 ASN A 88 -0.585 -10.310 2.926 1.00 1.60 N flip ATOM 0 H ASN A 88 -1.815 -10.221 0.212 1.00 0.38 H new ATOM 0 HA ASN A 88 -4.051 -10.116 2.092 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.606 -8.360 1.565 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.819 -7.992 2.775 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -0.249 -10.275 1.964 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -0.088 -10.868 3.620 1.00 1.60 H new ATOM 1380 N THR A 89 -5.338 -8.240 1.134 1.00 0.36 N ATOM 1381 CA THR A 89 -6.150 -7.198 0.561 1.00 0.37 C ATOM 1382 C THR A 89 -6.444 -6.175 1.649 1.00 0.37 C ATOM 1383 O THR A 89 -6.321 -6.490 2.831 1.00 0.40 O ATOM 1384 CB THR A 89 -7.454 -7.786 -0.004 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.155 -8.966 -0.763 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.164 -6.786 -0.897 1.00 0.49 C ATOM 0 H THR A 89 -5.738 -8.673 1.966 1.00 0.36 H new ATOM 0 HA THR A 89 -5.622 -6.718 -0.263 1.00 0.37 H new ATOM 0 HB THR A 89 -8.109 -8.030 0.832 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.985 -9.343 -1.122 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.082 -7.230 -1.282 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.406 -5.892 -0.322 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.514 -6.517 -1.730 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.802 -4.962 1.276 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.091 -3.935 2.264 1.00 0.42 C ATOM 1396 C TYR A 90 -8.411 -3.249 1.957 1.00 0.38 C ATOM 1397 O TYR A 90 -8.775 -3.069 0.793 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.960 -2.904 2.334 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.661 -3.462 2.871 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.639 -4.179 4.056 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.461 -3.276 2.198 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.464 -4.697 4.554 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.277 -3.792 2.693 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.287 -4.503 3.874 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.120 -5.030 4.374 1.00 0.87 O ATOM 0 H TYR A 90 -6.900 -4.663 0.306 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.170 -4.422 3.236 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.787 -2.500 1.337 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.276 -2.073 2.964 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.560 -4.335 4.599 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.452 -2.719 1.273 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.468 -5.255 5.479 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.351 -3.639 2.158 1.00 0.85 H new ATOM 0 HH TYR A 90 -1.330 -5.741 5.015 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.123 -2.871 3.005 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.391 -2.206 2.860 1.00 0.35 C ATOM 1417 C ILE A 91 -10.214 -0.770 3.284 1.00 0.36 C ATOM 1418 O ILE A 91 -9.548 -0.488 4.274 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.511 -2.910 3.679 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.625 -3.371 2.738 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.082 -2.008 4.771 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -13.725 -4.150 3.429 1.00 1.55 C ATOM 0 H ILE A 91 -8.834 -3.019 3.972 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.710 -2.249 1.819 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.066 -3.773 4.175 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.061 -2.499 2.251 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -12.192 -3.991 1.953 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.860 -2.543 5.315 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.287 -1.724 5.460 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.507 -1.112 4.318 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -14.478 -4.443 2.698 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -13.303 -5.042 3.892 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -14.186 -3.527 4.195 1.00 1.55 H new ATOM 1434 N SER A 92 -10.839 0.124 2.575 1.00 0.36 N ATOM 1435 CA SER A 92 -10.582 1.523 2.755 1.00 0.40 C ATOM 1436 C SER A 92 -11.446 2.030 3.868 1.00 0.43 C ATOM 1437 O SER A 92 -12.621 2.345 3.687 1.00 0.53 O ATOM 1438 CB SER A 92 -10.864 2.289 1.471 1.00 0.47 C ATOM 1439 OG SER A 92 -10.411 3.626 1.569 1.00 1.33 O ATOM 0 H SER A 92 -11.535 -0.093 1.862 1.00 0.36 H new ATOM 0 HA SER A 92 -9.532 1.672 3.007 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.372 1.795 0.633 1.00 0.47 H new ATOM 0 HB3 SER A 92 -11.934 2.278 1.264 1.00 0.47 H new ATOM 0 HG SER A 92 -9.784 3.813 0.839 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.833 2.078 5.036 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.487 2.551 6.227 1.00 0.54 C ATOM 1447 C LYS A 93 -11.654 4.060 6.179 1.00 0.57 C ATOM 1448 O LYS A 93 -12.230 4.656 7.085 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.704 2.098 7.458 1.00 0.65 C ATOM 1450 CG LYS A 93 -11.088 0.706 7.922 1.00 0.84 C ATOM 1451 CD LYS A 93 -11.157 0.601 9.443 1.00 1.27 C ATOM 1452 CE LYS A 93 -9.822 0.893 10.112 1.00 1.20 C ATOM 1453 NZ LYS A 93 -9.924 0.816 11.597 1.00 1.58 N ATOM 0 H LYS A 93 -9.866 1.788 5.179 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.487 2.122 6.290 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.638 2.119 7.232 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.872 2.806 8.270 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -12.055 0.438 7.497 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -10.363 -0.014 7.543 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -11.907 1.298 9.818 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -11.486 -0.401 9.720 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -9.075 0.181 9.761 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -9.478 1.886 9.821 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -8.974 0.886 12.014 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.513 1.599 11.946 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -10.356 -0.090 11.869 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.175 4.654 5.081 1.00 0.52 N ATOM 1468 CA LYS A 94 -11.479 6.035 4.744 1.00 0.67 C ATOM 1469 C LYS A 94 -12.989 6.172 4.762 1.00 0.79 C ATOM 1470 O LYS A 94 -13.583 6.663 5.722 1.00 0.97 O ATOM 1471 CB LYS A 94 -10.911 6.381 3.343 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.323 7.743 2.794 1.00 1.21 C ATOM 1473 CD LYS A 94 -10.767 8.875 3.642 1.00 1.56 C ATOM 1474 CE LYS A 94 -11.172 10.234 3.094 1.00 2.00 C ATOM 1475 NZ LYS A 94 -10.713 11.342 3.969 1.00 2.32 N ATOM 0 H LYS A 94 -10.568 4.187 4.407 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.025 6.723 5.457 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -9.823 6.340 3.389 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.229 5.612 2.639 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -10.968 7.846 1.769 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.410 7.810 2.763 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -11.125 8.773 4.666 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -9.680 8.805 3.676 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -10.754 10.362 2.096 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -12.256 10.276 2.993 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -10.599 12.207 3.403 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -11.416 11.508 4.717 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -9.801 11.089 4.401 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.611 5.727 3.697 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.042 5.526 3.714 1.00 0.96 C ATOM 1491 C HIS A 95 -15.372 4.060 3.965 1.00 1.01 C ATOM 1492 O HIS A 95 -16.044 3.428 3.146 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.725 6.053 2.450 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.061 5.656 1.178 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -15.170 6.391 0.027 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -14.270 4.603 0.880 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -14.477 5.812 -0.921 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -13.918 4.725 -0.430 1.00 2.32 N ATOM 0 H HIS A 95 -13.155 5.498 2.814 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.444 6.113 4.540 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -16.755 5.697 2.434 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -15.764 7.141 2.500 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -13.973 3.813 1.554 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.380 6.167 -1.936 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -13.320 4.080 -0.946 1.00 2.32 H new ATOM 1507 N ALA A 96 -14.870 3.514 5.075 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.134 2.119 5.443 1.00 1.02 C ATOM 1509 C ALA A 96 -16.612 1.780 5.303 1.00 1.03 C ATOM 1510 O ALA A 96 -16.975 0.709 4.814 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.679 1.853 6.871 1.00 1.18 C ATOM 0 H ALA A 96 -14.278 4.017 5.736 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.570 1.484 4.760 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.881 0.814 7.130 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.609 2.046 6.954 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.220 2.509 7.553 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.450 2.730 5.690 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.893 2.547 5.689 1.00 1.16 C ATOM 1519 C GLU A 97 -19.434 2.268 4.283 1.00 1.07 C ATOM 1520 O GLU A 97 -20.512 1.699 4.134 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.562 3.795 6.269 1.00 1.30 C ATOM 1522 CG GLU A 97 -19.082 4.140 7.671 1.00 2.04 C ATOM 1523 CD GLU A 97 -19.508 5.525 8.113 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -18.871 6.514 7.703 1.00 3.42 O ATOM 1525 OE2 GLU A 97 -20.495 5.628 8.873 1.00 3.22 O ATOM 0 H GLU A 97 -17.149 3.649 6.013 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.124 1.678 6.305 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -19.371 4.641 5.609 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -20.641 3.644 6.289 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -19.470 3.404 8.375 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -17.995 4.071 7.705 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.692 2.672 3.251 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.168 2.501 1.884 1.00 0.88 C ATOM 1534 C LYS A 98 -18.640 1.219 1.241 1.00 0.83 C ATOM 1535 O LYS A 98 -19.001 0.908 0.107 1.00 0.83 O ATOM 1536 CB LYS A 98 -18.759 3.707 1.032 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.300 5.047 1.526 1.00 1.41 C ATOM 1538 CD LYS A 98 -20.793 5.210 1.259 1.00 1.98 C ATOM 1539 CE LYS A 98 -21.645 4.352 2.181 1.00 2.14 C ATOM 1540 NZ LYS A 98 -23.096 4.557 1.951 1.00 2.65 N ATOM 0 H LYS A 98 -17.776 3.112 3.335 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.254 2.425 1.929 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -17.671 3.759 0.999 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.102 3.546 0.010 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.114 5.138 2.596 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -18.757 5.856 1.038 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -21.069 6.257 1.384 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -21.005 4.946 0.223 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -21.399 3.301 2.028 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -21.406 4.587 3.218 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -23.639 3.953 2.600 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -23.337 5.554 2.122 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -23.330 4.308 0.969 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.763 0.501 1.948 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.369 -0.864 1.564 1.00 0.84 C ATOM 1556 C ASN A 99 -16.368 -0.861 0.394 1.00 0.68 C ATOM 1557 O ASN A 99 -16.192 -1.872 -0.287 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.610 -1.716 1.239 1.00 1.01 C ATOM 1559 CG ASN A 99 -18.350 -3.213 1.309 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -18.051 -3.859 0.303 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -18.470 -3.779 2.499 1.00 2.00 N ATOM 0 H ASN A 99 -17.308 0.842 2.795 1.00 0.82 H new ATOM 0 HA ASN A 99 -16.861 -1.315 2.416 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.409 -1.461 1.935 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.964 -1.463 0.240 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -18.313 -4.781 2.605 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -18.719 -3.213 3.310 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.721 0.274 0.149 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.762 0.397 -0.934 1.00 0.44 C ATOM 1570 C TRP A 100 -13.430 -0.260 -0.593 1.00 0.41 C ATOM 1571 O TRP A 100 -13.170 -0.618 0.560 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.527 1.859 -1.233 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.461 2.472 -2.227 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.804 2.276 -2.383 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.081 3.429 -3.197 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.271 3.069 -3.413 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.219 3.788 -3.928 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -13.862 4.007 -3.503 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.163 4.723 -4.964 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -13.797 4.932 -4.521 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -14.938 5.285 -5.243 1.00 1.01 C ATOM 0 H TRP A 100 -15.848 1.127 0.694 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.178 -0.112 -1.803 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.599 2.419 -0.300 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.507 1.978 -1.598 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.408 1.604 -1.792 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.237 3.114 -3.738 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -12.974 3.737 -2.951 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.046 4.994 -5.524 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -12.850 5.391 -4.764 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -14.858 6.014 -6.036 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.582 -0.390 -1.604 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.294 -1.048 -1.449 1.00 0.51 C ATOM 1594 C PHE A 101 -10.178 -0.059 -1.748 1.00 0.55 C ATOM 1595 O PHE A 101 -10.352 0.843 -2.556 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.162 -2.243 -2.401 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.253 -3.272 -2.293 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.488 -3.060 -2.884 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.050 -4.438 -1.574 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.499 -3.994 -2.759 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.054 -5.376 -1.451 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.254 -5.192 -2.143 1.00 0.77 C ATOM 0 H PHE A 101 -12.766 -0.045 -2.546 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.221 -1.407 -0.423 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.137 -1.870 -3.425 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.205 -2.731 -2.215 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.662 -2.156 -3.448 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.094 -4.615 -1.104 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.483 -3.779 -3.148 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.914 -6.245 -0.825 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.982 -5.988 -2.192 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.054 -0.190 -1.078 1.00 0.52 N ATOM 1613 CA VAL A 102 -7.883 0.573 -1.473 1.00 0.55 C ATOM 1614 C VAL A 102 -6.995 -0.291 -2.366 1.00 0.50 C ATOM 1615 O VAL A 102 -6.507 -1.345 -1.951 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.090 1.098 -0.255 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -6.736 -0.030 0.699 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -5.839 1.836 -0.706 1.00 1.27 C ATOM 0 H VAL A 102 -8.923 -0.803 -0.273 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.219 1.449 -2.027 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.728 1.800 0.282 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.179 0.371 1.546 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -7.650 -0.503 1.058 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.125 -0.768 0.179 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -5.295 2.197 0.167 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -5.202 1.159 -1.275 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.122 2.682 -1.333 1.00 1.27 H new ATOM 1628 N GLY A 103 -6.820 0.128 -3.611 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.034 -0.666 -4.536 1.00 0.61 C ATOM 1630 C GLY A 103 -4.993 0.122 -5.286 1.00 0.54 C ATOM 1631 O GLY A 103 -5.193 1.252 -5.739 1.00 0.66 O ATOM 0 H GLY A 103 -7.202 0.992 -3.995 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.541 -1.467 -3.984 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.704 -1.139 -5.254 1.00 0.61 H new ATOM 1635 N LEU A 104 -3.883 -0.493 -5.479 1.00 0.53 N ATOM 1636 CA LEU A 104 -2.787 0.204 -6.076 1.00 0.50 C ATOM 1637 C LEU A 104 -2.197 -0.563 -7.229 1.00 0.59 C ATOM 1638 O LEU A 104 -2.025 -1.775 -7.154 1.00 0.92 O ATOM 1639 CB LEU A 104 -1.739 0.542 -5.021 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.472 -0.476 -3.920 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.862 -1.752 -4.474 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.551 0.158 -2.894 1.00 1.27 C ATOM 0 H LEU A 104 -3.703 -1.468 -5.238 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.164 1.139 -6.490 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -0.797 0.730 -5.536 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.035 1.477 -4.545 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.417 -0.755 -3.453 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.686 -2.454 -3.659 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.546 -2.198 -5.196 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.083 -1.520 -4.964 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.348 -0.557 -2.096 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.386 0.443 -3.373 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.028 1.044 -2.475 1.00 1.27 H new ATOM 1654 N LYS A 105 -1.917 0.114 -8.328 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.176 -0.563 -9.373 1.00 0.54 C ATOM 1656 C LYS A 105 0.296 -0.230 -9.247 1.00 0.49 C ATOM 1657 O LYS A 105 0.742 0.790 -9.727 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.720 -0.131 -10.736 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.861 -1.247 -11.757 1.00 0.94 C ATOM 1660 CD LYS A 105 -0.525 -1.711 -12.296 1.00 1.55 C ATOM 1661 CE LYS A 105 -0.708 -2.531 -13.562 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.276 -1.713 -14.667 1.00 2.09 N ATOM 0 H LYS A 105 -2.176 1.083 -8.515 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.293 -1.642 -9.277 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.696 0.332 -10.590 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.062 0.635 -11.146 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -2.377 -2.091 -11.299 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.483 -0.903 -12.583 1.00 0.94 H new ATOM 0 HD2 LYS A 105 0.107 -0.848 -12.505 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.011 -2.308 -11.542 1.00 1.55 H new ATOM 0 HE2 LYS A 105 0.252 -2.944 -13.871 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -1.367 -3.375 -13.358 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.050 -2.157 -15.580 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -2.309 -1.652 -14.558 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -0.868 -0.757 -14.637 1.00 2.09 H new ATOM 1676 N LYS A 106 1.078 -1.156 -8.709 1.00 0.46 N ATOM 1677 CA LYS A 106 2.497 -0.888 -8.541 1.00 0.44 C ATOM 1678 C LYS A 106 3.127 -0.880 -9.899 1.00 0.44 C ATOM 1679 O LYS A 106 4.061 -0.147 -10.158 1.00 0.46 O ATOM 1680 CB LYS A 106 3.231 -1.941 -7.696 1.00 0.51 C ATOM 1681 CG LYS A 106 3.566 -3.208 -8.488 1.00 0.81 C ATOM 1682 CD LYS A 106 4.607 -4.078 -7.813 1.00 1.11 C ATOM 1683 CE LYS A 106 4.953 -5.285 -8.676 1.00 1.02 C ATOM 1684 NZ LYS A 106 6.088 -6.067 -8.116 1.00 1.57 N ATOM 0 H LYS A 106 0.765 -2.073 -8.390 1.00 0.46 H new ATOM 0 HA LYS A 106 2.583 0.065 -8.019 1.00 0.44 H new ATOM 0 HB2 LYS A 106 4.152 -1.509 -7.304 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.613 -2.207 -6.838 1.00 0.51 H new ATOM 0 HG2 LYS A 106 2.655 -3.789 -8.633 1.00 0.81 H new ATOM 0 HG3 LYS A 106 3.925 -2.925 -9.478 1.00 0.81 H new ATOM 0 HD2 LYS A 106 5.507 -3.493 -7.622 1.00 1.11 H new ATOM 0 HD3 LYS A 106 4.234 -4.413 -6.845 1.00 1.11 H new ATOM 0 HE2 LYS A 106 4.078 -5.929 -8.765 1.00 1.02 H new ATOM 0 HE3 LYS A 106 5.206 -4.950 -9.682 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 6.551 -6.601 -8.879 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 6.775 -5.419 -7.681 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 5.732 -6.729 -7.397 1.00 1.57 H new ATOM 1698 N ASN A 107 2.603 -1.708 -10.780 1.00 0.50 N ATOM 1699 CA ASN A 107 3.251 -1.892 -12.045 1.00 0.56 C ATOM 1700 C ASN A 107 3.036 -0.648 -12.881 1.00 0.60 C ATOM 1701 O ASN A 107 3.603 -0.492 -13.960 1.00 0.70 O ATOM 1702 CB ASN A 107 2.696 -3.140 -12.737 1.00 0.67 C ATOM 1703 CG ASN A 107 3.746 -3.839 -13.575 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.929 -3.822 -13.237 1.00 2.40 O ATOM 1705 ND2 ASN A 107 3.326 -4.458 -14.667 1.00 1.84 N ATOM 0 H ASN A 107 1.750 -2.249 -10.641 1.00 0.50 H new ATOM 0 HA ASN A 107 4.322 -2.043 -11.909 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.313 -3.831 -11.986 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.855 -2.859 -13.370 1.00 0.67 H new ATOM 0 HD21 ASN A 107 3.993 -4.946 -15.265 1.00 1.84 H new ATOM 0 HD22 ASN A 107 2.336 -4.447 -14.910 1.00 1.84 H new ATOM 1712 N GLY A 108 2.183 0.231 -12.361 1.00 0.56 N ATOM 1713 CA GLY A 108 2.092 1.577 -12.848 1.00 0.65 C ATOM 1714 C GLY A 108 2.313 2.561 -11.725 1.00 0.60 C ATOM 1715 O GLY A 108 3.428 2.866 -11.298 1.00 0.71 O ATOM 0 H GLY A 108 1.545 0.018 -11.595 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.833 1.738 -13.631 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.113 1.742 -13.297 1.00 0.65 H new ATOM 1719 N SER A 109 1.178 2.890 -11.158 1.00 0.53 N ATOM 1720 CA SER A 109 1.009 3.913 -10.163 1.00 0.64 C ATOM 1721 C SER A 109 -0.292 3.578 -9.453 1.00 0.54 C ATOM 1722 O SER A 109 -1.137 2.859 -10.010 1.00 0.54 O ATOM 1723 CB SER A 109 0.958 5.300 -10.812 1.00 0.93 C ATOM 1724 OG SER A 109 -0.011 5.348 -11.846 1.00 1.50 O ATOM 0 H SER A 109 0.302 2.424 -11.393 1.00 0.53 H new ATOM 0 HA SER A 109 1.843 3.942 -9.462 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.724 6.050 -10.056 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.938 5.551 -11.217 1.00 0.93 H new ATOM 0 HG SER A 109 0.339 5.870 -12.598 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.483 4.027 -8.245 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.571 3.469 -7.493 1.00 0.82 C ATOM 1732 C CYS A 110 -2.781 4.378 -7.467 1.00 0.66 C ATOM 1733 O CYS A 110 -2.827 5.324 -6.728 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.014 3.274 -6.111 1.00 1.35 C ATOM 1735 SG CYS A 110 0.503 2.299 -6.116 1.00 2.32 S ATOM 0 H CYS A 110 0.071 4.744 -7.776 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.927 2.540 -7.939 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.817 4.247 -5.661 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.759 2.779 -5.488 1.00 1.35 H new ATOM 0 HG CYS A 110 1.523 3.083 -5.930 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.766 4.062 -8.288 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.035 4.763 -8.284 1.00 1.00 C ATOM 1743 C LYS A 111 -6.140 3.746 -8.373 1.00 0.75 C ATOM 1744 O LYS A 111 -6.292 3.157 -9.441 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.129 5.764 -9.442 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.457 5.299 -10.731 1.00 2.53 C ATOM 1747 CD LYS A 111 -2.984 5.687 -10.772 1.00 2.18 C ATOM 1748 CE LYS A 111 -2.806 7.197 -10.846 1.00 3.01 C ATOM 1749 NZ LYS A 111 -1.379 7.601 -10.728 1.00 3.59 N ATOM 0 H LYS A 111 -3.708 3.312 -8.976 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.125 5.336 -7.361 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.180 5.967 -9.647 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.678 6.706 -9.130 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -4.551 4.217 -10.820 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -4.972 5.735 -11.587 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -2.481 5.303 -9.884 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -2.508 5.221 -11.635 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -3.208 7.563 -11.791 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -3.382 7.669 -10.050 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -1.277 8.599 -11.001 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -1.063 7.476 -9.745 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -0.798 7.010 -11.356 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.925 3.503 -7.355 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.031 2.598 -7.575 1.00 1.36 C ATOM 1765 C ARG A 112 -9.297 3.022 -6.854 1.00 1.14 C ATOM 1766 O ARG A 112 -9.514 2.629 -5.724 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.661 1.168 -7.195 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.626 0.540 -8.111 1.00 3.07 C ATOM 1769 CD ARG A 112 -7.179 0.339 -9.511 1.00 4.09 C ATOM 1770 NE ARG A 112 -6.290 -0.447 -10.368 1.00 4.81 N ATOM 1771 CZ ARG A 112 -5.632 0.061 -11.411 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -5.650 1.369 -11.635 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -4.937 -0.736 -12.214 1.00 6.59 N ATOM 0 H ARG A 112 -6.833 3.891 -6.416 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.242 2.637 -8.644 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.281 1.160 -6.173 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.562 0.554 -7.205 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.742 1.176 -8.155 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.309 -0.419 -7.702 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -8.146 -0.159 -9.446 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -7.352 1.312 -9.971 1.00 4.09 H new ATOM 0 HE ARG A 112 -6.167 -1.437 -10.156 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -6.167 1.987 -11.009 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -5.147 1.757 -12.433 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -4.905 -1.739 -12.034 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -4.435 -0.345 -13.011 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.138 3.789 -7.502 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.504 3.910 -7.040 1.00 0.76 C ATOM 1789 C GLY A 113 -12.449 3.140 -7.929 1.00 0.77 C ATOM 1790 O GLY A 113 -13.093 2.196 -7.481 1.00 0.80 O ATOM 0 H GLY A 113 -9.910 4.331 -8.336 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.579 3.540 -6.017 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.793 4.961 -7.021 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.536 3.503 -9.219 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.400 2.806 -10.173 1.00 1.07 C ATOM 1796 C PRO A 114 -12.980 1.355 -10.413 1.00 0.90 C ATOM 1797 O PRO A 114 -13.676 0.618 -11.115 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.255 3.617 -11.468 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.677 4.925 -11.051 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.835 4.636 -9.846 1.00 1.03 C ATOM 0 HA PRO A 114 -14.423 2.746 -9.801 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -12.604 3.109 -12.180 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.219 3.752 -11.958 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -12.078 5.360 -11.851 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.463 5.642 -10.815 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.813 4.377 -10.120 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -11.777 5.495 -9.178 1.00 1.03 H new ATOM 1808 N ARG A 115 -11.841 0.936 -9.855 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.394 -0.428 -10.042 1.00 0.74 C ATOM 1810 C ARG A 115 -11.227 -1.143 -8.708 1.00 0.69 C ATOM 1811 O ARG A 115 -10.884 -2.324 -8.688 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.091 -0.492 -10.852 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.264 -0.211 -12.342 1.00 1.39 C ATOM 1814 CD ARG A 115 -10.502 1.264 -12.620 1.00 1.63 C ATOM 1815 NE ARG A 115 -10.919 1.513 -13.997 1.00 1.81 N ATOM 1816 CZ ARG A 115 -10.667 2.642 -14.658 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -9.938 3.597 -14.093 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -11.134 2.806 -15.888 1.00 2.62 N ATOM 0 H ARG A 115 -11.228 1.516 -9.282 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.168 -0.942 -10.612 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.384 0.227 -10.438 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.649 -1.481 -10.729 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -9.375 -0.542 -12.879 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -11.103 -0.792 -12.725 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -11.265 1.640 -11.939 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -9.588 1.821 -12.414 1.00 1.63 H new ATOM 0 HE ARG A 115 -11.434 0.778 -14.482 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -9.569 3.467 -13.151 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -9.746 4.460 -14.601 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -11.685 2.068 -16.327 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -10.942 3.670 -16.395 1.00 2.62 H new ATOM 1832 N THR A 116 -11.444 -0.445 -7.589 1.00 0.61 N ATOM 1833 CA THR A 116 -11.471 -1.130 -6.316 1.00 0.75 C ATOM 1834 C THR A 116 -12.817 -1.774 -6.054 1.00 0.85 C ATOM 1835 O THR A 116 -13.783 -1.149 -5.623 1.00 1.23 O ATOM 1836 CB THR A 116 -11.064 -0.237 -5.170 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.590 1.078 -5.357 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.551 -0.214 -5.077 1.00 1.13 C ATOM 0 H THR A 116 -11.598 0.562 -7.548 1.00 0.61 H new ATOM 0 HA THR A 116 -10.727 -1.924 -6.381 1.00 0.75 H new ATOM 0 HB THR A 116 -11.470 -0.624 -4.236 1.00 0.93 H new ATOM 0 HG1 THR A 116 -10.876 1.737 -5.229 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.247 0.429 -4.251 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.182 -1.225 -4.905 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.135 0.170 -6.008 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.790 -3.055 -6.312 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.909 -3.961 -6.408 1.00 0.77 C ATOM 1848 C HIS A 117 -13.267 -5.102 -7.134 1.00 0.68 C ATOM 1849 O HIS A 117 -12.067 -4.998 -7.434 1.00 0.61 O ATOM 1850 CB HIS A 117 -15.088 -3.400 -7.223 1.00 0.89 C ATOM 1851 CG HIS A 117 -16.112 -2.676 -6.401 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -16.453 -1.358 -6.608 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -16.865 -3.095 -5.361 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -17.368 -0.999 -5.733 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -17.639 -2.033 -4.961 1.00 2.85 N ATOM 0 H HIS A 117 -11.905 -3.536 -6.475 1.00 0.70 H new ATOM 0 HA HIS A 117 -14.356 -4.196 -5.442 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -14.700 -2.720 -7.982 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -15.575 -4.221 -7.749 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -16.860 -4.083 -4.924 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -17.821 -0.021 -5.660 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -18.312 -2.043 -4.194 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.936 -6.168 -7.467 1.00 0.73 N ATOM 1865 CA TYR A 118 -13.201 -7.094 -8.277 1.00 0.69 C ATOM 1866 C TYR A 118 -13.353 -6.654 -9.715 1.00 0.68 C ATOM 1867 O TYR A 118 -14.159 -7.166 -10.495 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.690 -8.519 -8.056 1.00 0.78 C ATOM 1869 CG TYR A 118 -13.316 -9.059 -6.694 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -12.049 -9.580 -6.460 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -14.218 -9.033 -5.639 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -11.695 -10.062 -5.215 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -13.871 -9.510 -4.391 1.00 3.13 C ATOM 1874 CZ TYR A 118 -12.608 -10.024 -4.184 1.00 3.19 C ATOM 1875 OH TYR A 118 -12.259 -10.501 -2.941 1.00 4.11 O ATOM 0 H TYR A 118 -14.897 -6.406 -7.220 1.00 0.73 H new ATOM 0 HA TYR A 118 -12.146 -7.096 -8.005 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -14.774 -8.549 -8.169 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -13.271 -9.166 -8.827 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -11.329 -9.608 -7.265 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -15.208 -8.633 -5.797 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -10.707 -10.467 -5.051 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -14.585 -9.481 -3.581 1.00 3.13 H new ATOM 0 HH TYR A 118 -13.016 -10.400 -2.327 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.522 -5.659 -10.009 1.00 0.62 N ATOM 1886 CA GLY A 119 -12.254 -5.188 -11.334 1.00 0.65 C ATOM 1887 C GLY A 119 -10.851 -5.565 -11.728 1.00 0.65 C ATOM 1888 O GLY A 119 -10.585 -6.026 -12.837 1.00 0.73 O ATOM 0 H GLY A 119 -12.005 -5.149 -9.293 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.968 -5.619 -12.036 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.377 -4.106 -11.378 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.951 -5.366 -10.766 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.522 -5.526 -10.985 1.00 0.64 C ATOM 1894 C GLN A 120 -7.879 -6.276 -9.825 1.00 0.62 C ATOM 1895 O GLN A 120 -8.211 -6.045 -8.663 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.859 -4.148 -11.132 1.00 0.67 C ATOM 1897 CG GLN A 120 -8.241 -3.408 -12.409 1.00 1.05 C ATOM 1898 CD GLN A 120 -7.793 -4.117 -13.676 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -6.648 -4.777 -13.621 1.00 2.19 O flip ATOM 1900 NE2 GLN A 120 -8.459 -4.047 -14.707 1.00 2.13 N flip ATOM 0 H GLN A 120 -10.196 -5.090 -9.815 1.00 0.60 H new ATOM 0 HA GLN A 120 -8.378 -6.102 -11.899 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.129 -3.533 -10.274 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.776 -4.273 -11.107 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -9.323 -3.281 -12.436 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.803 -2.410 -12.386 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -9.338 -3.529 -14.712 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -8.133 -4.507 -15.557 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.932 -7.148 -10.141 1.00 0.75 N ATOM 1910 CA LYS A 121 -6.212 -7.897 -9.121 1.00 0.78 C ATOM 1911 C LYS A 121 -5.020 -7.095 -8.617 1.00 0.70 C ATOM 1912 O LYS A 121 -4.145 -7.622 -7.939 1.00 0.75 O ATOM 1913 CB LYS A 121 -5.756 -9.268 -9.639 1.00 1.06 C ATOM 1914 CG LYS A 121 -6.868 -10.310 -9.701 1.00 1.43 C ATOM 1915 CD LYS A 121 -7.816 -10.077 -10.868 1.00 1.94 C ATOM 1916 CE LYS A 121 -7.146 -10.379 -12.200 1.00 2.28 C ATOM 1917 NZ LYS A 121 -6.898 -11.834 -12.389 1.00 2.85 N ATOM 0 H LYS A 121 -6.644 -7.354 -11.097 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.898 -8.070 -8.292 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -5.331 -9.145 -10.635 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -4.959 -9.641 -8.996 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -6.427 -11.303 -9.787 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -7.432 -10.291 -8.769 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -8.698 -10.706 -10.752 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -8.159 -9.042 -10.858 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -7.773 -10.011 -13.012 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -6.200 -9.841 -12.259 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -6.632 -12.015 -13.378 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -6.127 -12.139 -11.762 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -7.762 -12.366 -12.160 1.00 2.85 H new ATOM 1931 N ALA A 122 -5.004 -5.807 -8.946 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.023 -4.885 -8.389 1.00 0.72 C ATOM 1933 C ALA A 122 -4.392 -4.560 -6.948 1.00 0.54 C ATOM 1934 O ALA A 122 -3.688 -3.831 -6.250 1.00 0.59 O ATOM 1935 CB ALA A 122 -3.948 -3.616 -9.220 1.00 0.92 C ATOM 0 H ALA A 122 -5.662 -5.378 -9.597 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.041 -5.357 -8.408 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.210 -2.941 -8.787 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.657 -3.866 -10.240 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -4.923 -3.129 -9.230 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.530 -5.093 -6.526 1.00 0.44 N ATOM 1942 CA ILE A 123 -5.959 -4.998 -5.144 1.00 0.44 C ATOM 1943 C ILE A 123 -5.409 -6.194 -4.367 1.00 0.40 C ATOM 1944 O ILE A 123 -5.641 -6.356 -3.170 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.498 -4.959 -5.056 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.047 -3.932 -6.044 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -7.954 -4.616 -3.643 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -9.553 -3.889 -6.086 1.00 1.37 C ATOM 0 H ILE A 123 -6.176 -5.600 -7.131 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.575 -4.075 -4.709 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.882 -5.947 -5.309 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.670 -2.945 -5.778 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -7.669 -4.159 -7.041 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.043 -4.595 -3.607 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.583 -5.369 -2.948 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.563 -3.638 -3.362 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -9.876 -3.139 -6.808 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -9.937 -4.865 -6.382 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -9.937 -3.632 -5.099 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.661 -7.032 -5.071 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.963 -8.141 -4.443 1.00 0.43 C ATOM 1962 C LEU A 124 -2.500 -7.776 -4.241 1.00 0.37 C ATOM 1963 O LEU A 124 -1.742 -7.615 -5.208 1.00 0.46 O ATOM 1964 CB LEU A 124 -4.085 -9.416 -5.282 1.00 0.63 C ATOM 1965 CG LEU A 124 -5.503 -9.980 -5.408 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -5.497 -11.244 -6.254 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -6.091 -10.260 -4.033 1.00 1.83 C ATOM 0 H LEU A 124 -4.523 -6.963 -6.079 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.422 -8.336 -3.474 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -3.702 -9.212 -6.282 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -3.444 -10.182 -4.845 1.00 0.63 H new ATOM 0 HG LEU A 124 -6.128 -9.236 -5.902 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -6.512 -11.633 -6.334 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -5.117 -11.014 -7.249 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -4.858 -11.992 -5.786 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -7.099 -10.660 -4.143 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -5.467 -10.986 -3.511 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -6.129 -9.335 -3.458 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.116 -7.618 -2.983 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.752 -7.239 -2.647 1.00 0.45 C ATOM 1981 C PHE A 125 -0.185 -8.099 -1.528 1.00 0.36 C ATOM 1982 O PHE A 125 -0.921 -8.753 -0.788 1.00 0.51 O ATOM 1983 CB PHE A 125 -0.666 -5.766 -2.232 1.00 0.81 C ATOM 1984 CG PHE A 125 -1.993 -5.088 -2.026 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -2.719 -5.284 -0.863 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -2.507 -4.241 -2.994 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -3.932 -4.651 -0.674 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -3.718 -3.606 -2.809 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.432 -3.810 -1.646 1.00 0.85 C ATOM 0 H PHE A 125 -2.730 -7.746 -2.178 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.161 -7.396 -3.549 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -0.092 -5.697 -1.308 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.110 -5.221 -2.995 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -2.333 -5.939 -0.096 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -1.952 -4.075 -3.906 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -4.490 -4.815 0.236 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -4.107 -2.950 -3.574 1.00 1.05 H new ATOM 0 HZ PHE A 125 -5.379 -3.313 -1.497 1.00 0.85 H new ATOM 1999 N LEU A 126 1.133 -8.109 -1.432 1.00 0.36 N ATOM 2000 CA LEU A 126 1.820 -8.741 -0.330 1.00 0.49 C ATOM 2001 C LEU A 126 2.896 -7.792 0.173 1.00 0.48 C ATOM 2002 O LEU A 126 3.613 -7.174 -0.621 1.00 0.49 O ATOM 2003 CB LEU A 126 2.433 -10.094 -0.735 1.00 0.68 C ATOM 2004 CG LEU A 126 3.508 -10.056 -1.829 1.00 1.22 C ATOM 2005 CD1 LEU A 126 4.389 -11.291 -1.741 1.00 1.98 C ATOM 2006 CD2 LEU A 126 2.873 -9.974 -3.209 1.00 1.96 C ATOM 0 H LEU A 126 1.753 -7.678 -2.118 1.00 0.36 H new ATOM 0 HA LEU A 126 1.101 -8.950 0.463 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.866 -10.552 0.154 1.00 0.68 H new ATOM 0 HB3 LEU A 126 1.627 -10.747 -1.070 1.00 0.68 H new ATOM 0 HG LEU A 126 4.119 -9.167 -1.674 1.00 1.22 H new ATOM 0 HD11 LEU A 126 5.148 -11.253 -2.522 1.00 1.98 H new ATOM 0 HD12 LEU A 126 4.874 -11.323 -0.765 1.00 1.98 H new ATOM 0 HD13 LEU A 126 3.778 -12.184 -1.872 1.00 1.98 H new ATOM 0 HD21 LEU A 126 3.655 -9.948 -3.968 1.00 1.96 H new ATOM 0 HD22 LEU A 126 2.239 -10.846 -3.370 1.00 1.96 H new ATOM 0 HD23 LEU A 126 2.270 -9.069 -3.279 1.00 1.96 H new ATOM 2018 N PRO A 127 3.015 -7.640 1.491 1.00 0.54 N ATOM 2019 CA PRO A 127 3.974 -6.748 2.094 1.00 0.55 C ATOM 2020 C PRO A 127 5.174 -7.500 2.652 1.00 0.53 C ATOM 2021 O PRO A 127 5.098 -8.172 3.685 1.00 0.66 O ATOM 2022 CB PRO A 127 3.151 -6.126 3.229 1.00 0.72 C ATOM 2023 CG PRO A 127 2.024 -7.094 3.499 1.00 0.81 C ATOM 2024 CD PRO A 127 2.162 -8.231 2.513 1.00 0.68 C ATOM 0 HA PRO A 127 4.395 -6.028 1.393 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.762 -5.979 4.120 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.766 -5.148 2.942 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.073 -7.465 4.523 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.059 -6.601 3.385 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.617 -9.112 2.966 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.198 -8.542 2.111 1.00 0.68 H new ATOM 2032 N LEU A 128 6.283 -7.367 1.953 1.00 0.44 N ATOM 2033 CA LEU A 128 7.502 -8.053 2.290 1.00 0.46 C ATOM 2034 C LEU A 128 8.493 -7.029 2.817 1.00 0.39 C ATOM 2035 O LEU A 128 8.738 -6.018 2.168 1.00 0.39 O ATOM 2036 CB LEU A 128 8.029 -8.766 1.035 1.00 0.56 C ATOM 2037 CG LEU A 128 9.538 -8.728 0.836 1.00 0.98 C ATOM 2038 CD1 LEU A 128 10.240 -9.705 1.768 1.00 1.34 C ATOM 2039 CD2 LEU A 128 9.892 -9.019 -0.615 1.00 1.47 C ATOM 0 H LEU A 128 6.358 -6.772 1.128 1.00 0.44 H new ATOM 0 HA LEU A 128 7.340 -8.806 3.062 1.00 0.46 H new ATOM 0 HB2 LEU A 128 7.713 -9.808 1.072 1.00 0.56 H new ATOM 0 HB3 LEU A 128 7.555 -8.320 0.161 1.00 0.56 H new ATOM 0 HG LEU A 128 9.885 -7.725 1.082 1.00 0.98 H new ATOM 0 HD11 LEU A 128 11.316 -9.656 1.603 1.00 1.34 H new ATOM 0 HD12 LEU A 128 10.019 -9.443 2.803 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.888 -10.717 1.567 1.00 1.34 H new ATOM 0 HD21 LEU A 128 10.974 -8.988 -0.739 1.00 1.47 H new ATOM 0 HD22 LEU A 128 9.524 -10.008 -0.888 1.00 1.47 H new ATOM 0 HD23 LEU A 128 9.431 -8.270 -1.259 1.00 1.47 H new ATOM 2051 N PRO A 129 9.073 -7.262 3.994 1.00 0.41 N ATOM 2052 CA PRO A 129 9.933 -6.279 4.634 1.00 0.40 C ATOM 2053 C PRO A 129 11.360 -6.326 4.106 1.00 0.48 C ATOM 2054 O PRO A 129 11.838 -7.365 3.642 1.00 0.55 O ATOM 2055 CB PRO A 129 9.870 -6.697 6.098 1.00 0.48 C ATOM 2056 CG PRO A 129 9.710 -8.179 6.058 1.00 0.68 C ATOM 2057 CD PRO A 129 8.924 -8.486 4.808 1.00 0.53 C ATOM 0 HA PRO A 129 9.614 -5.253 4.452 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.776 -6.410 6.632 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.034 -6.221 6.611 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.681 -8.675 6.039 1.00 0.68 H new ATOM 0 HG3 PRO A 129 9.187 -8.538 6.944 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.318 -9.361 4.292 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.878 -8.693 5.033 1.00 0.53 H new ATOM 2065 N VAL A 130 12.036 -5.192 4.176 1.00 0.56 N ATOM 2066 CA VAL A 130 13.359 -5.062 3.611 1.00 0.76 C ATOM 2067 C VAL A 130 14.367 -5.435 4.670 1.00 0.97 C ATOM 2068 O VAL A 130 14.115 -5.251 5.857 1.00 1.03 O ATOM 2069 CB VAL A 130 13.641 -3.627 3.114 1.00 0.93 C ATOM 2070 CG1 VAL A 130 14.891 -3.582 2.245 1.00 1.43 C ATOM 2071 CG2 VAL A 130 12.441 -3.065 2.362 1.00 1.36 C ATOM 0 H VAL A 130 11.683 -4.345 4.623 1.00 0.56 H new ATOM 0 HA VAL A 130 13.432 -5.724 2.748 1.00 0.76 H new ATOM 0 HB VAL A 130 13.817 -3.001 3.989 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.064 -2.559 1.910 1.00 1.43 H new ATOM 0 HG12 VAL A 130 15.749 -3.925 2.824 1.00 1.43 H new ATOM 0 HG13 VAL A 130 14.756 -4.230 1.379 1.00 1.43 H new ATOM 0 HG21 VAL A 130 12.665 -2.054 2.023 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.223 -3.697 1.501 1.00 1.36 H new ATOM 0 HG23 VAL A 130 11.575 -3.042 3.024 1.00 1.36 H new ATOM 2081 N SER A 131 15.488 -5.968 4.256 1.00 1.27 N ATOM 2082 CA SER A 131 16.471 -6.433 5.203 1.00 1.65 C ATOM 2083 C SER A 131 17.697 -5.534 5.190 1.00 1.86 C ATOM 2084 O SER A 131 18.325 -5.338 4.151 1.00 1.88 O ATOM 2085 CB SER A 131 16.847 -7.873 4.869 1.00 2.07 C ATOM 2086 OG SER A 131 15.679 -8.668 4.723 1.00 2.32 O ATOM 0 H SER A 131 15.743 -6.091 3.276 1.00 1.27 H new ATOM 0 HA SER A 131 16.049 -6.399 6.208 1.00 1.65 H new ATOM 0 HB2 SER A 131 17.430 -7.899 3.948 1.00 2.07 H new ATOM 0 HB3 SER A 131 17.478 -8.283 5.658 1.00 2.07 H new ATOM 0 HG SER A 131 15.935 -9.589 4.507 1.00 2.32 H new ATOM 2092 N SER A 132 18.017 -4.984 6.349 1.00 2.21 N ATOM 2093 CA SER A 132 19.240 -4.227 6.521 1.00 2.54 C ATOM 2094 C SER A 132 20.207 -5.056 7.347 1.00 3.02 C ATOM 2095 O SER A 132 20.333 -4.870 8.557 1.00 3.59 O ATOM 2096 CB SER A 132 18.942 -2.895 7.213 1.00 2.98 C ATOM 2097 OG SER A 132 17.966 -2.154 6.495 1.00 2.97 O ATOM 0 H SER A 132 17.441 -5.050 7.188 1.00 2.21 H new ATOM 0 HA SER A 132 19.685 -4.008 5.550 1.00 2.54 H new ATOM 0 HB2 SER A 132 18.589 -3.080 8.228 1.00 2.98 H new ATOM 0 HB3 SER A 132 19.859 -2.311 7.295 1.00 2.98 H new ATOM 0 HG SER A 132 18.341 -1.287 6.233 1.00 2.97 H new ATOM 2103 N ASP A 133 20.878 -5.980 6.686 1.00 3.06 N ATOM 2104 CA ASP A 133 21.728 -6.937 7.370 1.00 3.74 C ATOM 2105 C ASP A 133 23.125 -6.912 6.773 1.00 3.96 C ATOM 2106 O ASP A 133 24.022 -6.304 7.390 1.00 4.33 O ATOM 2107 CB ASP A 133 21.123 -8.340 7.266 1.00 3.99 C ATOM 2108 CG ASP A 133 21.835 -9.351 8.140 1.00 4.66 C ATOM 2109 OD1 ASP A 133 21.452 -9.490 9.324 1.00 5.12 O ATOM 2110 OD2 ASP A 133 22.767 -10.017 7.651 1.00 5.00 O ATOM 2111 OXT ASP A 133 23.310 -7.454 5.665 1.00 4.10 O ATOM 0 H ASP A 133 20.851 -6.089 5.672 1.00 3.06 H new ATOM 0 HA ASP A 133 21.797 -6.665 8.423 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.071 -8.299 7.548 1.00 3.99 H new ATOM 0 HB3 ASP A 133 21.162 -8.672 6.228 1.00 3.99 H new TER 2116 ASP A 133