USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=48 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+ -171:sc= 1.22 (180deg=-0.0408) USER MOD Set 1.2: A 132 SER OG : rot -100:sc= 1 USER MOD Set 2.1: A 111 LYS NZ :NH3+ -154:sc= 1.28 (180deg=0) USER MOD Set 2.2: A 120 GLN : amide:sc= -1.94! C(o=-0.66!,f=-6.6!) USER MOD Set 3.1: A 88 ASN :FLIP amide:sc= -0.428 F(o=-1.8,f=-1.2) USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= -0.799 USER MOD Set 4.1: A 38 GLN :FLIP amide:sc= 0.623 F(o=0.95,f=1.6) USER MOD Set 4.2: A 40 SER OG : rot 110:sc= 0.964 USER MOD Set 5.1: A 36 GLN : amide:sc= -8.91! C(o=-7.6!,f=-7.8!) USER MOD Set 5.2: A 54 THR OG1 : rot 158:sc= 1.28 USER MOD Set 6.1: A 10 SER OG : rot -176:sc= 0.289 USER MOD Set 6.2: A 106 LYS NZ :NH3+ 145:sc= -1.81! (180deg=-4.4!) USER MOD Single : A 1 TYR N :NH3+ -167:sc= 1.73 (180deg=1.32) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 160:sc= -0.117 (180deg=-0.632) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0.855 (180deg=0.838) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.018 USER MOD Single : A 9 CYS SG : rot -156:sc= -1.54 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 14 HIS : no HE2:sc= -0.602 K(o=-0.6,f=-1.9) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -48:sc= 0.321 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 34 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.18) USER MOD Single : A 51 SER OG : rot 19:sc= 0.857 USER MOD Single : A 52 THR OG1 : rot 93:sc= -0.594 USER MOD Single : A 56 GLN :FLIP amide:sc= -16.7! C(o=-18!,f=-17!) USER MOD Single : A 57 TYR OH : rot -24:sc= 1.24 USER MOD Single : A 60 MET CE :methyl -115:sc= -0.504 (180deg=-4.33!) 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 -135:sc= -1.32! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 53:sc= 0.451 USER MOD Single : A 73 ASN : amide:sc= 0.111 K(o=0.11,f=-1.7!) USER MOD Single : A 76 CYS SG : rot 175:sc= 1.38 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.3!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 150:sc= -0.0264 USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0.834) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.0103 (180deg=-0.145) USER MOD Single : A 95 HIS :FLIP no HE2:sc= -8.52! C(o=-11!,f=-8.5!) USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.17) USER MOD Single : A 99 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.4) USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= -0.0982 (180deg=-0.447) USER MOD Single : A 107 ASN : amide:sc= -0.0935 K(o=-0.094,f=-0.85) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= -8.72! USER MOD Single : A 116 THR OG1 : rot 120:sc= -3.42! USER MOD Single : A 117 HIS : no HD1:sc= 0.00832 K(o=0.0083,f=-2.9!) USER MOD Single : A 118 TYR OH : rot -140:sc= 0.948 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.207 -10.414 11.632 1.00 2.41 N ATOM 2 CA TYR A 1 14.997 -9.234 10.766 1.00 2.09 C ATOM 3 C TYR A 1 13.672 -8.563 11.075 1.00 2.03 C ATOM 4 O TYR A 1 12.683 -9.225 11.386 1.00 2.57 O ATOM 5 CB TYR A 1 14.998 -9.635 9.279 1.00 2.90 C ATOM 6 CG TYR A 1 13.769 -10.422 8.857 1.00 3.87 C ATOM 7 CD1 TYR A 1 13.607 -11.747 9.247 1.00 4.74 C ATOM 8 CD2 TYR A 1 12.789 -9.852 8.056 1.00 4.39 C ATOM 9 CE1 TYR A 1 12.505 -12.479 8.848 1.00 5.86 C ATOM 10 CE2 TYR A 1 11.682 -10.577 7.657 1.00 5.57 C ATOM 11 CZ TYR A 1 11.492 -11.839 8.117 1.00 6.21 C ATOM 12 OH TYR A 1 10.449 -12.617 7.647 1.00 7.47 O ATOM 0 H1 TYR A 1 16.197 -10.724 11.562 1.00 2.41 H new ATOM 0 H2 TYR A 1 14.991 -10.164 12.618 1.00 2.41 H new ATOM 0 H3 TYR A 1 14.581 -11.186 11.325 1.00 2.41 H new ATOM 0 HA TYR A 1 15.817 -8.543 10.964 1.00 2.09 H new ATOM 0 HB2 TYR A 1 15.069 -8.734 8.669 1.00 2.90 H new ATOM 0 HB3 TYR A 1 15.888 -10.230 9.073 1.00 2.90 H new ATOM 0 HD1 TYR A 1 14.355 -12.212 9.872 1.00 4.74 H new ATOM 0 HD2 TYR A 1 12.893 -8.825 7.739 1.00 4.39 H new ATOM 0 HE1 TYR A 1 12.424 -13.527 9.095 1.00 5.86 H new ATOM 0 HE2 TYR A 1 10.967 -10.138 6.977 1.00 5.57 H new ATOM 0 HH TYR A 1 9.814 -12.053 7.158 1.00 7.47 H new ATOM 24 N LYS A 2 13.675 -7.248 11.019 1.00 2.03 N ATOM 25 CA LYS A 2 12.453 -6.487 10.859 1.00 2.09 C ATOM 26 C LYS A 2 12.776 -5.164 10.198 1.00 1.28 C ATOM 27 O LYS A 2 13.797 -4.545 10.489 1.00 1.83 O ATOM 28 CB LYS A 2 11.703 -6.283 12.191 1.00 3.32 C ATOM 29 CG LYS A 2 12.589 -6.153 13.423 1.00 4.26 C ATOM 30 CD LYS A 2 13.398 -4.867 13.442 1.00 5.27 C ATOM 31 CE LYS A 2 14.307 -4.816 14.656 1.00 6.31 C ATOM 32 NZ LYS A 2 15.144 -6.040 14.768 1.00 6.96 N ATOM 0 H LYS A 2 14.519 -6.679 11.083 1.00 2.03 H new ATOM 0 HA LYS A 2 11.777 -7.057 10.222 1.00 2.09 H new ATOM 0 HB2 LYS A 2 11.088 -5.386 12.109 1.00 3.32 H new ATOM 0 HB3 LYS A 2 11.024 -7.123 12.339 1.00 3.32 H new ATOM 0 HG2 LYS A 2 11.967 -6.197 14.317 1.00 4.26 H new ATOM 0 HG3 LYS A 2 13.269 -7.004 13.466 1.00 4.26 H new ATOM 0 HD2 LYS A 2 13.995 -4.795 12.533 1.00 5.27 H new ATOM 0 HD3 LYS A 2 12.725 -4.010 13.450 1.00 5.27 H new ATOM 0 HE2 LYS A 2 14.951 -3.939 14.592 1.00 6.31 H new ATOM 0 HE3 LYS A 2 13.704 -4.703 15.557 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 15.966 -5.844 15.375 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 14.581 -6.809 15.185 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 15.472 -6.324 13.823 1.00 6.96 H new ATOM 46 N LYS A 3 11.914 -4.764 9.290 1.00 0.93 N ATOM 47 CA LYS A 3 12.074 -3.531 8.551 1.00 0.96 C ATOM 48 C LYS A 3 10.742 -3.129 7.975 1.00 0.78 C ATOM 49 O LYS A 3 9.826 -3.952 7.892 1.00 1.17 O ATOM 50 CB LYS A 3 13.090 -3.695 7.409 1.00 1.91 C ATOM 51 CG LYS A 3 14.520 -3.296 7.752 1.00 2.62 C ATOM 52 CD LYS A 3 14.621 -1.819 8.096 1.00 3.43 C ATOM 53 CE LYS A 3 16.045 -1.301 7.975 1.00 4.25 C ATOM 54 NZ LYS A 3 16.997 -2.062 8.820 1.00 4.81 N ATOM 0 H LYS A 3 11.076 -5.289 9.042 1.00 0.93 H new ATOM 0 HA LYS A 3 12.444 -2.764 9.232 1.00 0.96 H new ATOM 0 HB2 LYS A 3 13.087 -4.737 7.088 1.00 1.91 H new ATOM 0 HB3 LYS A 3 12.757 -3.099 6.559 1.00 1.91 H new ATOM 0 HG2 LYS A 3 14.872 -3.891 8.594 1.00 2.62 H new ATOM 0 HG3 LYS A 3 15.173 -3.519 6.908 1.00 2.62 H new ATOM 0 HD2 LYS A 3 13.970 -1.248 7.434 1.00 3.43 H new ATOM 0 HD3 LYS A 3 14.262 -1.658 9.113 1.00 3.43 H new ATOM 0 HE2 LYS A 3 16.362 -1.358 6.934 1.00 4.25 H new ATOM 0 HE3 LYS A 3 16.072 -0.249 8.259 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 17.919 -1.581 8.823 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 16.632 -2.116 9.792 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 17.109 -3.023 8.438 1.00 4.81 H new ATOM 68 N PRO A 4 10.603 -1.857 7.608 1.00 0.45 N ATOM 69 CA PRO A 4 9.507 -1.397 6.783 1.00 0.41 C ATOM 70 C PRO A 4 9.275 -2.335 5.604 1.00 0.39 C ATOM 71 O PRO A 4 10.218 -2.782 4.945 1.00 0.53 O ATOM 72 CB PRO A 4 9.972 -0.018 6.294 1.00 0.59 C ATOM 73 CG PRO A 4 11.351 0.177 6.837 1.00 0.72 C ATOM 74 CD PRO A 4 11.479 -0.755 7.998 1.00 0.80 C ATOM 0 HA PRO A 4 8.562 -1.361 7.326 1.00 0.41 H new ATOM 0 HB2 PRO A 4 9.973 0.028 5.205 1.00 0.59 H new ATOM 0 HB3 PRO A 4 9.301 0.766 6.646 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.102 -0.041 6.078 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.504 1.210 7.149 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.508 -1.085 8.144 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.158 -0.290 8.930 1.00 0.80 H new ATOM 82 N LYS A 5 8.020 -2.635 5.360 1.00 0.38 N ATOM 83 CA LYS A 5 7.634 -3.534 4.289 1.00 0.38 C ATOM 84 C LYS A 5 7.650 -2.807 2.950 1.00 0.35 C ATOM 85 O LYS A 5 7.492 -1.591 2.882 1.00 0.40 O ATOM 86 CB LYS A 5 6.227 -4.088 4.535 1.00 0.44 C ATOM 87 CG LYS A 5 6.088 -4.951 5.781 1.00 1.16 C ATOM 88 CD LYS A 5 4.624 -5.271 6.055 1.00 1.64 C ATOM 89 CE LYS A 5 4.449 -6.192 7.252 1.00 2.57 C ATOM 90 NZ LYS A 5 3.032 -6.240 7.707 1.00 3.33 N ATOM 0 H LYS A 5 7.236 -2.264 5.897 1.00 0.38 H new ATOM 0 HA LYS A 5 8.351 -4.355 4.267 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.531 -3.252 4.610 1.00 0.44 H new ATOM 0 HB3 LYS A 5 5.927 -4.676 3.668 1.00 0.44 H new ATOM 0 HG2 LYS A 5 6.650 -5.876 5.653 1.00 1.16 H new ATOM 0 HG3 LYS A 5 6.519 -4.433 6.638 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.078 -4.344 6.230 1.00 1.64 H new ATOM 0 HD3 LYS A 5 4.185 -5.738 5.173 1.00 1.64 H new ATOM 0 HE2 LYS A 5 4.781 -7.196 6.990 1.00 2.57 H new ATOM 0 HE3 LYS A 5 5.083 -5.850 8.070 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 2.932 -6.953 8.457 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 2.754 -5.308 8.076 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 2.419 -6.492 6.906 1.00 3.33 H new ATOM 104 N LEU A 6 7.844 -3.570 1.897 1.00 0.35 N ATOM 105 CA LEU A 6 7.803 -3.051 0.543 1.00 0.37 C ATOM 106 C LEU A 6 6.441 -3.334 -0.082 1.00 0.37 C ATOM 107 O LEU A 6 5.839 -4.380 0.177 1.00 0.46 O ATOM 108 CB LEU A 6 8.935 -3.684 -0.284 1.00 0.51 C ATOM 109 CG LEU A 6 8.729 -3.709 -1.801 1.00 0.64 C ATOM 110 CD1 LEU A 6 10.045 -3.495 -2.520 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.125 -5.038 -2.233 1.00 1.49 C ATOM 0 H LEU A 6 8.035 -4.570 1.953 1.00 0.35 H new ATOM 0 HA LEU A 6 7.949 -1.971 0.559 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.858 -3.144 -0.072 1.00 0.51 H new ATOM 0 HB3 LEU A 6 9.079 -4.708 0.059 1.00 0.51 H new ATOM 0 HG LEU A 6 8.045 -2.902 -2.063 1.00 0.64 H new ATOM 0 HD11 LEU A 6 9.879 -3.516 -3.597 1.00 1.24 H new ATOM 0 HD12 LEU A 6 10.462 -2.529 -2.236 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.743 -4.286 -2.245 1.00 1.24 H new ATOM 0 HD21 LEU A 6 7.985 -5.040 -3.314 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.795 -5.851 -1.953 1.00 1.49 H new ATOM 0 HD23 LEU A 6 7.162 -5.177 -1.742 1.00 1.49 H new ATOM 123 N LEU A 7 5.961 -2.413 -0.909 1.00 0.36 N ATOM 124 CA LEU A 7 4.668 -2.589 -1.557 1.00 0.39 C ATOM 125 C LEU A 7 4.824 -3.188 -2.944 1.00 0.41 C ATOM 126 O LEU A 7 5.058 -2.484 -3.931 1.00 0.58 O ATOM 127 CB LEU A 7 3.908 -1.267 -1.667 1.00 0.55 C ATOM 128 CG LEU A 7 2.577 -1.349 -2.431 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.430 -0.894 -1.542 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.633 -0.514 -3.709 1.00 1.25 C ATOM 0 H LEU A 7 6.442 -1.545 -1.145 1.00 0.36 H new ATOM 0 HA LEU A 7 4.097 -3.274 -0.931 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.711 -0.893 -0.662 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.549 -0.536 -2.160 1.00 0.55 H new ATOM 0 HG LEU A 7 2.405 -2.388 -2.714 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.493 -0.957 -2.096 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.375 -1.535 -0.662 1.00 1.53 H new ATOM 0 HD13 LEU A 7 1.598 0.137 -1.230 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.680 -0.587 -4.233 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.828 0.528 -3.455 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.431 -0.886 -4.352 1.00 1.25 H new ATOM 142 N TYR A 8 4.722 -4.496 -3.012 1.00 0.50 N ATOM 143 CA TYR A 8 4.616 -5.172 -4.286 1.00 0.71 C ATOM 144 C TYR A 8 3.170 -5.647 -4.515 1.00 0.44 C ATOM 145 O TYR A 8 2.811 -6.735 -4.100 1.00 0.73 O ATOM 146 CB TYR A 8 5.579 -6.377 -4.238 1.00 1.29 C ATOM 147 CG TYR A 8 5.771 -7.142 -5.531 1.00 1.60 C ATOM 148 CD1 TYR A 8 4.950 -8.216 -5.849 1.00 1.84 C ATOM 149 CD2 TYR A 8 6.753 -6.775 -6.445 1.00 2.21 C ATOM 150 CE1 TYR A 8 5.104 -8.905 -7.034 1.00 2.43 C ATOM 151 CE2 TYR A 8 6.913 -7.462 -7.633 1.00 2.93 C ATOM 152 CZ TYR A 8 6.162 -8.565 -7.888 1.00 2.96 C ATOM 153 OH TYR A 8 6.233 -9.211 -9.104 1.00 3.74 O ATOM 0 H TYR A 8 4.710 -5.113 -2.200 1.00 0.50 H new ATOM 0 HA TYR A 8 4.876 -4.503 -5.107 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.554 -6.021 -3.904 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.217 -7.073 -3.481 1.00 1.29 H new ATOM 0 HD1 TYR A 8 4.178 -8.517 -5.157 1.00 1.84 H new ATOM 0 HD2 TYR A 8 7.401 -5.940 -6.223 1.00 2.21 H new ATOM 0 HE1 TYR A 8 4.418 -9.696 -7.300 1.00 2.43 H new ATOM 0 HE2 TYR A 8 7.636 -7.122 -8.360 1.00 2.93 H new ATOM 0 HH TYR A 8 5.330 -9.449 -9.401 1.00 3.74 H new ATOM 163 N CYS A 9 2.349 -4.849 -5.219 1.00 0.63 N ATOM 164 CA CYS A 9 1.051 -5.349 -5.697 1.00 0.75 C ATOM 165 C CYS A 9 0.941 -5.195 -7.217 1.00 1.05 C ATOM 166 O CYS A 9 0.437 -4.201 -7.745 1.00 1.99 O ATOM 167 CB CYS A 9 -0.072 -4.562 -5.007 1.00 1.57 C ATOM 168 SG CYS A 9 -1.714 -4.815 -5.716 1.00 2.64 S ATOM 0 H CYS A 9 2.554 -3.880 -5.464 1.00 0.63 H new ATOM 0 HA CYS A 9 0.963 -6.408 -5.455 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.099 -4.841 -3.954 1.00 1.57 H new ATOM 0 HB3 CYS A 9 0.168 -3.500 -5.050 1.00 1.57 H new ATOM 0 HG CYS A 9 -2.465 -3.787 -5.450 1.00 2.64 H new ATOM 174 N SER A 10 1.518 -6.152 -7.898 1.00 0.83 N ATOM 175 CA SER A 10 1.357 -6.368 -9.325 1.00 1.29 C ATOM 176 C SER A 10 1.242 -7.852 -9.601 1.00 0.84 C ATOM 177 O SER A 10 1.751 -8.641 -8.806 1.00 1.34 O ATOM 178 CB SER A 10 2.554 -5.821 -10.088 1.00 2.36 C ATOM 179 OG SER A 10 3.748 -6.481 -9.683 1.00 3.16 O ATOM 0 H SER A 10 2.139 -6.833 -7.461 1.00 0.83 H new ATOM 0 HA SER A 10 0.456 -5.850 -9.653 1.00 1.29 H new ATOM 0 HB2 SER A 10 2.402 -5.956 -11.159 1.00 2.36 H new ATOM 0 HB3 SER A 10 2.646 -4.749 -9.912 1.00 2.36 H new ATOM 0 HG SER A 10 4.516 -6.075 -10.137 1.00 3.16 H new ATOM 185 N ASN A 11 0.650 -8.262 -10.705 1.00 1.45 N ATOM 186 CA ASN A 11 1.313 -9.361 -11.376 1.00 1.79 C ATOM 187 C ASN A 11 2.158 -8.704 -12.459 1.00 1.40 C ATOM 188 O ASN A 11 1.693 -8.445 -13.568 1.00 1.83 O ATOM 189 CB ASN A 11 0.318 -10.355 -11.981 1.00 2.89 C ATOM 190 CG ASN A 11 1.018 -11.492 -12.704 1.00 3.45 C ATOM 191 OD1 ASN A 11 2.131 -11.883 -12.344 1.00 3.71 O ATOM 192 ND2 ASN A 11 0.371 -12.038 -13.720 1.00 4.02 N ATOM 0 H ASN A 11 -0.204 -7.895 -11.125 1.00 1.45 H new ATOM 0 HA ASN A 11 1.912 -9.947 -10.679 1.00 1.79 H new ATOM 0 HB2 ASN A 11 -0.314 -10.762 -11.191 1.00 2.89 H new ATOM 0 HB3 ASN A 11 -0.339 -9.833 -12.677 1.00 2.89 H new ATOM 0 HD21 ASN A 11 0.791 -12.811 -14.236 1.00 4.02 H new ATOM 0 HD22 ASN A 11 -0.548 -11.686 -13.987 1.00 4.02 H new ATOM 199 N GLY A 12 3.400 -8.415 -12.093 1.00 1.41 N ATOM 200 CA GLY A 12 4.323 -7.735 -12.980 1.00 1.36 C ATOM 201 C GLY A 12 5.756 -7.890 -12.518 1.00 1.49 C ATOM 202 O GLY A 12 6.412 -8.905 -12.724 1.00 2.34 O ATOM 0 H GLY A 12 3.790 -8.645 -11.179 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.220 -8.135 -13.989 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.068 -6.676 -13.029 1.00 1.36 H new ATOM 206 N GLY A 13 6.192 -6.813 -11.856 1.00 0.97 N ATOM 207 CA GLY A 13 7.447 -6.755 -11.129 1.00 1.26 C ATOM 208 C GLY A 13 7.936 -5.316 -11.027 1.00 0.84 C ATOM 209 O GLY A 13 8.836 -4.890 -11.744 1.00 0.89 O ATOM 0 H GLY A 13 5.664 -5.942 -11.815 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.316 -7.173 -10.131 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.196 -7.365 -11.634 1.00 1.26 H new ATOM 213 N HIS A 14 7.301 -4.580 -10.122 1.00 0.78 N ATOM 214 CA HIS A 14 7.646 -3.198 -9.786 1.00 0.61 C ATOM 215 C HIS A 14 7.679 -3.033 -8.271 1.00 0.61 C ATOM 216 O HIS A 14 7.289 -3.944 -7.543 1.00 0.92 O ATOM 217 CB HIS A 14 6.680 -2.195 -10.428 1.00 0.85 C ATOM 218 CG HIS A 14 7.216 -1.561 -11.677 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.594 -0.515 -12.321 1.00 1.31 N ATOM 220 CD2 HIS A 14 8.332 -1.828 -12.395 1.00 1.07 C ATOM 221 CE1 HIS A 14 7.300 -0.170 -13.379 1.00 1.17 C ATOM 222 NE2 HIS A 14 8.359 -0.949 -13.446 1.00 0.95 N ATOM 0 H HIS A 14 6.510 -4.935 -9.585 1.00 0.78 H new ATOM 0 HA HIS A 14 8.635 -2.985 -10.191 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.744 -2.703 -10.661 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.447 -1.413 -9.705 1.00 0.85 H new ATOM 0 HD1 HIS A 14 5.722 -0.075 -12.025 1.00 1.31 H new ATOM 0 HD2 HIS A 14 9.065 -2.592 -12.180 1.00 1.07 H new ATOM 0 HE1 HIS A 14 7.052 0.619 -14.074 1.00 1.17 H new ATOM 231 N PHE A 15 8.150 -1.898 -7.798 1.00 0.49 N ATOM 232 CA PHE A 15 8.160 -1.601 -6.377 1.00 0.45 C ATOM 233 C PHE A 15 7.782 -0.137 -6.191 1.00 0.39 C ATOM 234 O PHE A 15 8.275 0.710 -6.914 1.00 0.41 O ATOM 235 CB PHE A 15 9.555 -1.873 -5.795 1.00 0.51 C ATOM 236 CG PHE A 15 10.152 -3.186 -6.237 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.808 -4.375 -5.611 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.055 -3.230 -7.288 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.354 -5.576 -6.022 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.602 -4.427 -7.705 1.00 1.62 C ATOM 241 CZ PHE A 15 11.252 -5.602 -7.071 1.00 1.82 C ATOM 0 H PHE A 15 8.536 -1.157 -8.383 1.00 0.49 H new ATOM 0 HA PHE A 15 7.445 -2.235 -5.854 1.00 0.45 H new ATOM 0 HB2 PHE A 15 10.224 -1.064 -6.086 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.494 -1.860 -4.707 1.00 0.51 H new ATOM 0 HD1 PHE A 15 9.104 -4.362 -4.792 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.335 -2.314 -7.788 1.00 1.15 H new ATOM 0 HE1 PHE A 15 10.079 -6.494 -5.523 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.303 -4.444 -8.526 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.679 -6.540 -7.394 1.00 1.82 H new ATOM 251 N LEU A 16 6.958 0.175 -5.204 1.00 0.43 N ATOM 252 CA LEU A 16 6.506 1.543 -5.031 1.00 0.50 C ATOM 253 C LEU A 16 7.565 2.389 -4.357 1.00 0.48 C ATOM 254 O LEU A 16 8.262 1.976 -3.429 1.00 0.64 O ATOM 255 CB LEU A 16 5.234 1.585 -4.165 1.00 0.75 C ATOM 256 CG LEU A 16 5.319 2.461 -2.894 1.00 1.35 C ATOM 257 CD1 LEU A 16 5.078 3.930 -3.205 1.00 2.23 C ATOM 258 CD2 LEU A 16 4.346 1.986 -1.832 1.00 1.59 C ATOM 0 H LEU A 16 6.594 -0.489 -4.521 1.00 0.43 H new ATOM 0 HA LEU A 16 6.299 1.942 -6.024 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.410 1.947 -4.779 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.986 0.567 -3.866 1.00 0.75 H new ATOM 0 HG LEU A 16 6.333 2.359 -2.507 1.00 1.35 H new ATOM 0 HD11 LEU A 16 5.146 4.512 -2.286 1.00 2.23 H new ATOM 0 HD12 LEU A 16 5.829 4.280 -3.913 1.00 2.23 H new ATOM 0 HD13 LEU A 16 4.086 4.052 -3.639 1.00 2.23 H new ATOM 0 HD21 LEU A 16 4.430 2.622 -0.951 1.00 1.59 H new ATOM 0 HD22 LEU A 16 3.329 2.037 -2.221 1.00 1.59 H new ATOM 0 HD23 LEU A 16 4.579 0.957 -1.560 1.00 1.59 H new ATOM 270 N ARG A 17 7.664 3.579 -4.904 1.00 0.40 N ATOM 271 CA ARG A 17 8.596 4.592 -4.496 1.00 0.42 C ATOM 272 C ARG A 17 7.819 5.859 -4.219 1.00 0.35 C ATOM 273 O ARG A 17 6.773 6.083 -4.843 1.00 0.37 O ATOM 274 CB ARG A 17 9.582 4.836 -5.631 1.00 0.59 C ATOM 275 CG ARG A 17 10.908 4.125 -5.484 1.00 1.00 C ATOM 276 CD ARG A 17 11.696 4.197 -6.779 1.00 1.17 C ATOM 277 NE ARG A 17 11.526 5.487 -7.450 1.00 1.46 N ATOM 278 CZ ARG A 17 12.527 6.237 -7.899 1.00 1.93 C ATOM 279 NH1 ARG A 17 13.779 5.832 -7.753 1.00 2.43 N ATOM 280 NH2 ARG A 17 12.265 7.390 -8.506 1.00 2.61 N ATOM 0 H ARG A 17 7.069 3.875 -5.678 1.00 0.40 H new ATOM 0 HA ARG A 17 9.140 4.283 -3.603 1.00 0.42 H new ATOM 0 HB2 ARG A 17 9.120 4.524 -6.568 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.767 5.907 -5.708 1.00 0.59 H new ATOM 0 HG2 ARG A 17 11.483 4.578 -4.676 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.740 3.083 -5.211 1.00 1.00 H new ATOM 0 HD2 ARG A 17 12.753 4.033 -6.570 1.00 1.17 H new ATOM 0 HD3 ARG A 17 11.374 3.396 -7.445 1.00 1.17 H new ATOM 0 HE ARG A 17 10.576 5.833 -7.582 1.00 1.46 H new ATOM 0 HH11 ARG A 17 13.977 4.942 -7.295 1.00 2.43 H new ATOM 0 HH12 ARG A 17 14.545 6.410 -8.099 1.00 2.43 H new ATOM 0 HH21 ARG A 17 11.299 7.696 -8.625 1.00 2.61 H new ATOM 0 HH22 ARG A 17 13.030 7.969 -8.852 1.00 2.61 H new ATOM 294 N ILE A 18 8.292 6.685 -3.302 1.00 0.33 N ATOM 295 CA ILE A 18 7.650 7.957 -3.105 1.00 0.31 C ATOM 296 C ILE A 18 8.362 9.034 -3.900 1.00 0.32 C ATOM 297 O ILE A 18 9.594 9.136 -3.907 1.00 0.36 O ATOM 298 CB ILE A 18 7.582 8.384 -1.626 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.965 8.746 -1.079 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.956 7.281 -0.787 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.911 9.558 0.197 1.00 0.91 C ATOM 0 H ILE A 18 9.095 6.499 -2.701 1.00 0.33 H new ATOM 0 HA ILE A 18 6.625 7.836 -3.456 1.00 0.31 H new ATOM 0 HB ILE A 18 6.958 9.276 -1.567 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.526 7.830 -0.895 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.512 9.308 -1.836 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.914 7.596 0.256 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.947 7.079 -1.146 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.558 6.376 -0.869 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.925 9.780 0.530 1.00 0.91 H new ATOM 0 HD12 ILE A 18 8.377 10.490 0.013 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.392 8.989 0.969 1.00 0.91 H new ATOM 313 N LEU A 19 7.571 9.795 -4.616 1.00 0.36 N ATOM 314 CA LEU A 19 8.047 10.968 -5.308 1.00 0.42 C ATOM 315 C LEU A 19 7.440 12.177 -4.630 1.00 0.41 C ATOM 316 O LEU A 19 6.389 12.067 -4.012 1.00 0.43 O ATOM 317 CB LEU A 19 7.632 10.923 -6.782 1.00 0.54 C ATOM 318 CG LEU A 19 8.200 9.755 -7.589 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.666 9.793 -9.011 1.00 1.56 C ATOM 320 CD2 LEU A 19 9.721 9.791 -7.587 1.00 1.84 C ATOM 0 H LEU A 19 6.574 9.617 -4.736 1.00 0.36 H new ATOM 0 HA LEU A 19 9.135 11.015 -5.271 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.544 10.883 -6.834 1.00 0.54 H new ATOM 0 HB3 LEU A 19 7.940 11.854 -7.257 1.00 0.54 H new ATOM 0 HG LEU A 19 7.882 8.823 -7.122 1.00 0.96 H new ATOM 0 HD11 LEU A 19 8.077 8.957 -9.576 1.00 1.56 H new ATOM 0 HD12 LEU A 19 6.579 9.720 -8.993 1.00 1.56 H new ATOM 0 HD13 LEU A 19 7.959 10.730 -9.485 1.00 1.56 H new ATOM 0 HD21 LEU A 19 10.106 8.952 -8.166 1.00 1.84 H new ATOM 0 HD22 LEU A 19 10.063 10.726 -8.031 1.00 1.84 H new ATOM 0 HD23 LEU A 19 10.085 9.721 -6.562 1.00 1.84 H new ATOM 332 N PRO A 20 8.051 13.354 -4.756 1.00 0.54 N ATOM 333 CA PRO A 20 7.566 14.563 -4.077 1.00 0.67 C ATOM 334 C PRO A 20 6.314 15.113 -4.746 1.00 0.68 C ATOM 335 O PRO A 20 5.837 16.203 -4.425 1.00 0.84 O ATOM 336 CB PRO A 20 8.717 15.556 -4.254 1.00 0.89 C ATOM 337 CG PRO A 20 9.878 14.750 -4.735 1.00 0.96 C ATOM 338 CD PRO A 20 9.283 13.614 -5.507 1.00 0.70 C ATOM 0 HA PRO A 20 7.300 14.372 -3.037 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.456 16.333 -4.972 1.00 0.89 H new ATOM 0 HB3 PRO A 20 8.950 16.056 -3.314 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.538 15.348 -5.363 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.476 14.386 -3.900 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.081 13.885 -6.543 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.940 12.745 -5.528 1.00 0.70 H new ATOM 346 N ASP A 21 5.789 14.328 -5.668 1.00 0.62 N ATOM 347 CA ASP A 21 4.591 14.684 -6.412 1.00 0.78 C ATOM 348 C ASP A 21 3.344 14.167 -5.703 1.00 0.75 C ATOM 349 O ASP A 21 2.226 14.547 -6.043 1.00 0.99 O ATOM 350 CB ASP A 21 4.646 14.104 -7.829 1.00 0.94 C ATOM 351 CG ASP A 21 5.918 14.467 -8.569 1.00 1.51 C ATOM 352 OD1 ASP A 21 6.077 15.649 -8.934 1.00 1.71 O ATOM 353 OD2 ASP A 21 6.769 13.579 -8.780 1.00 2.30 O ATOM 0 H ASP A 21 6.181 13.422 -5.924 1.00 0.62 H new ATOM 0 HA ASP A 21 4.544 15.771 -6.470 1.00 0.78 H new ATOM 0 HB2 ASP A 21 4.561 13.019 -7.775 1.00 0.94 H new ATOM 0 HB3 ASP A 21 3.787 14.463 -8.396 1.00 0.94 H new ATOM 358 N GLY A 22 3.543 13.290 -4.722 1.00 0.59 N ATOM 359 CA GLY A 22 2.426 12.765 -3.959 1.00 0.72 C ATOM 360 C GLY A 22 1.873 11.472 -4.532 1.00 0.61 C ATOM 361 O GLY A 22 0.665 11.250 -4.517 1.00 0.81 O ATOM 0 H GLY A 22 4.457 12.935 -4.443 1.00 0.59 H new ATOM 0 HA2 GLY A 22 2.744 12.594 -2.931 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.632 13.511 -3.927 1.00 0.72 H new ATOM 365 N THR A 23 2.747 10.603 -5.022 1.00 0.43 N ATOM 366 CA THR A 23 2.319 9.393 -5.670 1.00 0.39 C ATOM 367 C THR A 23 2.835 8.152 -4.967 1.00 0.40 C ATOM 368 O THR A 23 3.974 8.117 -4.504 1.00 0.46 O ATOM 369 CB THR A 23 2.881 9.336 -7.078 1.00 0.44 C ATOM 370 OG1 THR A 23 3.077 10.662 -7.592 1.00 0.49 O ATOM 371 CG2 THR A 23 1.959 8.564 -7.995 1.00 0.59 C ATOM 0 H THR A 23 3.759 10.724 -4.977 1.00 0.43 H new ATOM 0 HA THR A 23 1.229 9.408 -5.655 1.00 0.39 H new ATOM 0 HB THR A 23 3.842 8.823 -7.037 1.00 0.44 H new ATOM 0 HG1 THR A 23 3.442 10.610 -8.500 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.383 8.537 -8.999 1.00 0.59 H new ATOM 0 HG22 THR A 23 1.844 7.546 -7.622 1.00 0.59 H new ATOM 0 HG23 THR A 23 0.985 9.052 -8.026 1.00 0.59 H new ATOM 379 N VAL A 24 1.992 7.142 -4.896 1.00 0.47 N ATOM 380 CA VAL A 24 2.460 5.788 -4.643 1.00 0.56 C ATOM 381 C VAL A 24 2.668 5.095 -5.979 1.00 0.42 C ATOM 382 O VAL A 24 1.701 4.691 -6.619 1.00 0.50 O ATOM 383 CB VAL A 24 1.406 5.005 -3.845 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.845 3.581 -3.558 1.00 0.97 C ATOM 385 CG2 VAL A 24 1.098 5.734 -2.571 1.00 1.61 C ATOM 0 H VAL A 24 0.982 7.229 -5.009 1.00 0.47 H new ATOM 0 HA VAL A 24 3.389 5.825 -4.074 1.00 0.56 H new ATOM 0 HB VAL A 24 0.504 4.938 -4.453 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.068 3.068 -2.992 1.00 0.97 H new ATOM 0 HG12 VAL A 24 2.016 3.056 -4.498 1.00 0.97 H new ATOM 0 HG13 VAL A 24 2.767 3.595 -2.977 1.00 0.97 H new ATOM 0 HG21 VAL A 24 0.350 5.178 -2.005 1.00 1.61 H new ATOM 0 HG22 VAL A 24 2.007 5.828 -1.977 1.00 1.61 H new ATOM 0 HG23 VAL A 24 0.713 6.727 -2.804 1.00 1.61 H new ATOM 395 N ASP A 25 3.905 4.978 -6.433 1.00 0.37 N ATOM 396 CA ASP A 25 4.113 4.363 -7.749 1.00 0.37 C ATOM 397 C ASP A 25 5.199 3.336 -7.792 1.00 0.39 C ATOM 398 O ASP A 25 6.230 3.475 -7.150 1.00 0.43 O ATOM 399 CB ASP A 25 4.289 5.426 -8.850 1.00 0.48 C ATOM 400 CG ASP A 25 5.704 5.520 -9.409 1.00 0.80 C ATOM 401 OD1 ASP A 25 6.575 6.123 -8.739 1.00 1.16 O ATOM 402 OD2 ASP A 25 5.965 4.961 -10.492 1.00 1.10 O ATOM 0 H ASP A 25 4.748 5.281 -5.945 1.00 0.37 H new ATOM 0 HA ASP A 25 3.196 3.809 -7.950 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.602 5.204 -9.667 1.00 0.48 H new ATOM 0 HB3 ASP A 25 4.004 6.399 -8.449 1.00 0.48 H new ATOM 407 N GLY A 26 4.961 2.300 -8.586 1.00 0.38 N ATOM 408 CA GLY A 26 5.956 1.283 -8.731 1.00 0.40 C ATOM 409 C GLY A 26 6.959 1.582 -9.812 1.00 0.42 C ATOM 410 O GLY A 26 6.637 2.016 -10.913 1.00 0.52 O ATOM 0 H GLY A 26 4.105 2.156 -9.121 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.480 1.159 -7.783 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.467 0.334 -8.951 1.00 0.40 H new ATOM 414 N THR A 27 8.166 1.282 -9.453 1.00 0.42 N ATOM 415 CA THR A 27 9.358 1.493 -10.221 1.00 0.50 C ATOM 416 C THR A 27 10.264 0.334 -9.926 1.00 0.54 C ATOM 417 O THR A 27 10.168 -0.233 -8.840 1.00 0.56 O ATOM 418 CB THR A 27 10.027 2.825 -9.822 1.00 0.57 C ATOM 419 OG1 THR A 27 9.226 3.930 -10.264 1.00 0.67 O ATOM 420 CG2 THR A 27 11.427 2.932 -10.396 1.00 0.70 C ATOM 0 H THR A 27 8.362 0.851 -8.549 1.00 0.42 H new ATOM 0 HA THR A 27 9.137 1.554 -11.287 1.00 0.50 H new ATOM 0 HB THR A 27 10.106 2.851 -8.735 1.00 0.57 H new ATOM 0 HG1 THR A 27 9.657 4.771 -10.005 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.871 3.881 -10.097 1.00 0.70 H new ATOM 0 HG22 THR A 27 12.038 2.111 -10.020 1.00 0.70 H new ATOM 0 HG23 THR A 27 11.379 2.880 -11.484 1.00 0.70 H new ATOM 428 N ARG A 28 11.103 -0.086 -10.845 1.00 0.64 N ATOM 429 CA ARG A 28 12.040 -1.079 -10.423 1.00 0.71 C ATOM 430 C ARG A 28 13.193 -0.353 -9.759 1.00 0.65 C ATOM 431 O ARG A 28 13.928 0.423 -10.366 1.00 0.72 O ATOM 432 CB ARG A 28 12.487 -1.996 -11.579 1.00 0.91 C ATOM 433 CG ARG A 28 12.762 -1.297 -12.908 1.00 1.56 C ATOM 434 CD ARG A 28 14.170 -0.729 -12.988 1.00 1.84 C ATOM 435 NE ARG A 28 14.441 -0.120 -14.289 1.00 2.32 N ATOM 436 CZ ARG A 28 14.922 1.113 -14.450 1.00 2.92 C ATOM 437 NH1 ARG A 28 15.185 1.873 -13.389 1.00 3.18 N ATOM 438 NH2 ARG A 28 15.145 1.581 -15.669 1.00 3.76 N ATOM 0 H ARG A 28 11.153 0.220 -11.817 1.00 0.64 H new ATOM 0 HA ARG A 28 11.576 -1.760 -9.709 1.00 0.71 H new ATOM 0 HB2 ARG A 28 13.391 -2.523 -11.272 1.00 0.91 H new ATOM 0 HB3 ARG A 28 11.717 -2.751 -11.739 1.00 0.91 H new ATOM 0 HG2 ARG A 28 12.612 -2.004 -13.724 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.041 -0.492 -13.047 1.00 1.56 H new ATOM 0 HD2 ARG A 28 14.306 0.016 -12.204 1.00 1.84 H new ATOM 0 HD3 ARG A 28 14.893 -1.523 -12.802 1.00 1.84 H new ATOM 0 HE ARG A 28 14.250 -0.672 -15.125 1.00 2.32 H new ATOM 0 HH11 ARG A 28 15.019 1.512 -12.449 1.00 3.18 H new ATOM 0 HH12 ARG A 28 15.553 2.816 -13.516 1.00 3.18 H new ATOM 0 HH21 ARG A 28 14.949 0.998 -16.483 1.00 3.76 H new ATOM 0 HH22 ARG A 28 15.513 2.524 -15.794 1.00 3.76 H new ATOM 452 N ASP A 29 13.270 -0.597 -8.474 1.00 0.68 N ATOM 453 CA ASP A 29 14.239 -0.016 -7.599 1.00 0.69 C ATOM 454 C ASP A 29 14.658 -1.067 -6.590 1.00 0.81 C ATOM 455 O ASP A 29 14.059 -2.135 -6.487 1.00 1.48 O ATOM 456 CB ASP A 29 13.708 1.235 -6.897 1.00 1.04 C ATOM 457 CG ASP A 29 14.816 2.242 -6.622 1.00 1.58 C ATOM 458 OD1 ASP A 29 15.863 1.848 -6.068 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.660 3.424 -6.995 1.00 2.20 O ATOM 0 H ASP A 29 12.630 -1.232 -7.997 1.00 0.68 H new ATOM 0 HA ASP A 29 15.098 0.308 -8.187 1.00 0.69 H new ATOM 0 HB2 ASP A 29 12.939 1.700 -7.515 1.00 1.04 H new ATOM 0 HB3 ASP A 29 13.234 0.951 -5.958 1.00 1.04 H new ATOM 464 N ARG A 30 15.666 -0.740 -5.853 1.00 0.62 N ATOM 465 CA ARG A 30 16.492 -1.683 -5.142 1.00 0.91 C ATOM 466 C ARG A 30 15.918 -2.108 -3.799 1.00 1.03 C ATOM 467 O ARG A 30 16.629 -2.717 -2.995 1.00 1.18 O ATOM 468 CB ARG A 30 17.766 -0.938 -4.866 1.00 1.63 C ATOM 469 CG ARG A 30 18.530 -0.532 -6.119 1.00 2.20 C ATOM 470 CD ARG A 30 18.826 -1.722 -7.017 1.00 2.58 C ATOM 471 NE ARG A 30 19.351 -1.302 -8.316 1.00 3.27 N ATOM 472 CZ ARG A 30 19.649 -2.137 -9.314 1.00 3.80 C ATOM 473 NH1 ARG A 30 19.535 -3.451 -9.151 1.00 3.96 N ATOM 474 NH2 ARG A 30 20.080 -1.656 -10.472 1.00 4.57 N ATOM 0 H ARG A 30 15.956 0.228 -5.718 1.00 0.62 H new ATOM 0 HA ARG A 30 16.598 -2.589 -5.738 1.00 0.91 H new ATOM 0 HB2 ARG A 30 17.534 -0.043 -4.289 1.00 1.63 H new ATOM 0 HB3 ARG A 30 18.411 -1.560 -4.245 1.00 1.63 H new ATOM 0 HG2 ARG A 30 17.950 0.205 -6.674 1.00 2.20 H new ATOM 0 HG3 ARG A 30 19.466 -0.052 -5.833 1.00 2.20 H new ATOM 0 HD2 ARG A 30 19.547 -2.377 -6.528 1.00 2.58 H new ATOM 0 HD3 ARG A 30 17.915 -2.303 -7.163 1.00 2.58 H new ATOM 0 HE ARG A 30 19.499 -0.305 -8.470 1.00 3.27 H new ATOM 0 HH11 ARG A 30 19.218 -3.829 -8.258 1.00 3.96 H new ATOM 0 HH12 ARG A 30 19.765 -4.082 -9.919 1.00 3.96 H new ATOM 0 HH21 ARG A 30 20.183 -0.649 -10.599 1.00 4.57 H new ATOM 0 HH22 ARG A 30 20.308 -2.293 -11.236 1.00 4.57 H new ATOM 488 N SER A 31 14.648 -1.800 -3.555 1.00 1.72 N ATOM 489 CA SER A 31 14.109 -1.852 -2.203 1.00 2.60 C ATOM 490 C SER A 31 14.944 -0.898 -1.356 1.00 2.41 C ATOM 491 O SER A 31 15.281 -1.167 -0.202 1.00 2.90 O ATOM 492 CB SER A 31 14.140 -3.284 -1.640 1.00 3.49 C ATOM 493 OG SER A 31 13.545 -3.351 -0.354 1.00 4.00 O ATOM 0 H SER A 31 13.979 -1.514 -4.270 1.00 1.72 H new ATOM 0 HA SER A 31 13.061 -1.551 -2.195 1.00 2.60 H new ATOM 0 HB2 SER A 31 13.615 -3.955 -2.320 1.00 3.49 H new ATOM 0 HB3 SER A 31 15.172 -3.631 -1.583 1.00 3.49 H new ATOM 0 HG SER A 31 13.902 -2.633 0.209 1.00 4.00 H new ATOM 499 N ASP A 32 15.261 0.231 -1.977 1.00 1.76 N ATOM 500 CA ASP A 32 16.205 1.192 -1.475 1.00 1.59 C ATOM 501 C ASP A 32 15.538 2.119 -0.490 1.00 1.18 C ATOM 502 O ASP A 32 14.414 1.883 -0.041 1.00 1.25 O ATOM 503 CB ASP A 32 16.781 2.008 -2.636 1.00 1.59 C ATOM 504 CG ASP A 32 15.811 3.063 -3.142 1.00 1.92 C ATOM 505 OD1 ASP A 32 14.607 2.760 -3.254 1.00 2.37 O ATOM 506 OD2 ASP A 32 16.257 4.187 -3.452 1.00 2.08 O ATOM 0 H ASP A 32 14.850 0.501 -2.870 1.00 1.76 H new ATOM 0 HA ASP A 32 17.010 0.659 -0.969 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.703 2.491 -2.314 1.00 1.59 H new ATOM 0 HB3 ASP A 32 17.042 1.336 -3.454 1.00 1.59 H new ATOM 511 N GLN A 33 16.259 3.159 -0.155 1.00 1.02 N ATOM 512 CA GLN A 33 15.793 4.210 0.724 1.00 0.76 C ATOM 513 C GLN A 33 14.633 5.025 0.125 1.00 0.55 C ATOM 514 O GLN A 33 14.448 6.189 0.464 1.00 0.72 O ATOM 515 CB GLN A 33 16.969 5.115 0.995 1.00 1.03 C ATOM 516 CG GLN A 33 17.964 4.536 1.984 1.00 1.73 C ATOM 517 CD GLN A 33 19.148 5.447 2.219 1.00 2.18 C ATOM 518 OE1 GLN A 33 19.553 6.201 1.333 1.00 2.42 O ATOM 519 NE2 GLN A 33 19.712 5.387 3.413 1.00 2.92 N ATOM 0 H GLN A 33 17.210 3.305 -0.493 1.00 1.02 H new ATOM 0 HA GLN A 33 15.404 3.759 1.637 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.482 5.323 0.056 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.603 6.069 1.376 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.461 4.349 2.932 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.319 3.573 1.616 1.00 1.73 H new ATOM 0 HE21 GLN A 33 19.345 4.748 4.119 1.00 2.92 H new ATOM 0 HE22 GLN A 33 20.514 5.979 3.629 1.00 2.92 H new ATOM 528 N HIS A 34 13.872 4.424 -0.776 1.00 0.44 N ATOM 529 CA HIS A 34 12.627 5.001 -1.249 1.00 0.36 C ATOM 530 C HIS A 34 11.501 3.987 -1.105 1.00 0.32 C ATOM 531 O HIS A 34 10.330 4.354 -1.087 1.00 0.37 O ATOM 532 CB HIS A 34 12.744 5.439 -2.711 1.00 0.57 C ATOM 533 CG HIS A 34 13.669 6.594 -2.925 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.976 6.447 -3.326 1.00 1.54 N ATOM 535 CD2 HIS A 34 13.466 7.924 -2.790 1.00 1.29 C ATOM 536 CE1 HIS A 34 15.538 7.634 -3.430 1.00 1.61 C ATOM 537 NE2 HIS A 34 14.644 8.552 -3.109 1.00 1.34 N ATOM 0 H HIS A 34 14.101 3.524 -1.198 1.00 0.44 H new ATOM 0 HA HIS A 34 12.407 5.881 -0.644 1.00 0.36 H new ATOM 0 HB2 HIS A 34 13.090 4.594 -3.307 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.754 5.706 -3.081 1.00 0.57 H new ATOM 0 HD1 HIS A 34 15.438 5.557 -3.514 1.00 1.54 H new ATOM 0 HD2 HIS A 34 12.547 8.403 -2.487 1.00 1.29 H new ATOM 0 HE1 HIS A 34 16.558 7.825 -3.728 1.00 1.61 H new ATOM 546 N ILE A 35 11.868 2.708 -1.002 1.00 0.38 N ATOM 547 CA ILE A 35 10.886 1.627 -0.935 1.00 0.45 C ATOM 548 C ILE A 35 10.342 1.349 0.486 1.00 0.46 C ATOM 549 O ILE A 35 9.359 0.613 0.635 1.00 0.63 O ATOM 550 CB ILE A 35 11.529 0.334 -1.522 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.070 0.113 -2.960 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.261 -0.905 -0.679 1.00 1.51 C ATOM 553 CD1 ILE A 35 11.540 1.186 -3.909 1.00 2.04 C ATOM 0 H ILE A 35 12.839 2.397 -0.963 1.00 0.38 H new ATOM 0 HA ILE A 35 10.023 1.945 -1.520 1.00 0.45 H new ATOM 0 HB ILE A 35 12.608 0.491 -1.507 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.436 -0.854 -3.306 1.00 1.16 H new ATOM 0 HG13 ILE A 35 9.981 0.069 -2.983 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.736 -1.770 -1.142 1.00 1.51 H new ATOM 0 HG22 ILE A 35 11.669 -0.760 0.321 1.00 1.51 H new ATOM 0 HG23 ILE A 35 10.186 -1.074 -0.611 1.00 1.51 H new ATOM 0 HD11 ILE A 35 11.178 0.967 -4.914 1.00 2.04 H new ATOM 0 HD12 ILE A 35 11.152 2.152 -3.586 1.00 2.04 H new ATOM 0 HD13 ILE A 35 12.630 1.216 -3.914 1.00 2.04 H new ATOM 565 N GLN A 36 10.891 1.975 1.528 1.00 0.38 N ATOM 566 CA GLN A 36 10.630 1.457 2.876 1.00 0.37 C ATOM 567 C GLN A 36 9.439 2.136 3.569 1.00 0.35 C ATOM 568 O GLN A 36 9.557 3.213 4.168 1.00 0.35 O ATOM 569 CB GLN A 36 11.887 1.548 3.765 1.00 0.43 C ATOM 570 CG GLN A 36 12.271 2.956 4.202 1.00 0.52 C ATOM 571 CD GLN A 36 12.984 3.730 3.128 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.207 3.704 3.045 1.00 1.17 O ATOM 573 NE2 GLN A 36 12.223 4.423 2.298 1.00 1.29 N ATOM 0 H GLN A 36 11.489 2.799 1.476 1.00 0.38 H new ATOM 0 HA GLN A 36 10.363 0.409 2.742 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.728 0.939 4.655 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.727 1.110 3.225 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.372 3.497 4.496 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.909 2.896 5.083 1.00 0.52 H new ATOM 0 HE21 GLN A 36 11.209 4.413 2.407 1.00 1.29 H new ATOM 0 HE22 GLN A 36 12.650 4.967 1.548 1.00 1.29 H new ATOM 582 N LEU A 37 8.304 1.458 3.565 1.00 0.36 N ATOM 583 CA LEU A 37 7.153 1.928 4.312 1.00 0.35 C ATOM 584 C LEU A 37 6.860 0.998 5.444 1.00 0.37 C ATOM 585 O LEU A 37 6.921 -0.218 5.305 1.00 0.48 O ATOM 586 CB LEU A 37 5.900 2.100 3.462 1.00 0.38 C ATOM 587 CG LEU A 37 5.607 1.004 2.429 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.120 0.956 2.116 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.391 1.245 1.149 1.00 0.94 C ATOM 0 H LEU A 37 8.156 0.586 3.056 1.00 0.36 H new ATOM 0 HA LEU A 37 7.420 2.917 4.686 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.043 2.173 4.132 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.975 3.051 2.935 1.00 0.38 H new ATOM 0 HG LEU A 37 5.915 0.049 2.854 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.928 0.174 1.382 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.563 0.742 3.028 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.802 1.918 1.713 1.00 0.94 H new ATOM 0 HD21 LEU A 37 6.167 0.456 0.431 1.00 0.94 H new ATOM 0 HD22 LEU A 37 6.110 2.210 0.727 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.458 1.243 1.370 1.00 0.94 H new ATOM 601 N GLN A 38 6.516 1.564 6.560 1.00 0.34 N ATOM 602 CA GLN A 38 6.340 0.783 7.743 1.00 0.39 C ATOM 603 C GLN A 38 4.867 0.398 7.822 1.00 0.40 C ATOM 604 O GLN A 38 4.005 1.229 8.090 1.00 0.41 O ATOM 605 CB GLN A 38 6.823 1.589 8.959 1.00 0.45 C ATOM 606 CG GLN A 38 7.352 0.725 10.096 1.00 0.93 C ATOM 607 CD GLN A 38 6.293 -0.175 10.696 1.00 1.37 C ATOM 608 OE1 GLN A 38 5.631 0.305 11.734 1.00 2.05 O flip ATOM 609 NE2 GLN A 38 6.081 -1.298 10.239 1.00 2.12 N flip ATOM 0 H GLN A 38 6.352 2.564 6.675 1.00 0.34 H new ATOM 0 HA GLN A 38 6.931 -0.133 7.726 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.608 2.275 8.640 1.00 0.45 H new ATOM 0 HB3 GLN A 38 5.999 2.198 9.331 1.00 0.45 H new ATOM 0 HG2 GLN A 38 8.175 0.113 9.727 1.00 0.93 H new ATOM 0 HG3 GLN A 38 7.758 1.369 10.876 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.614 -1.631 9.436 1.00 2.12 H new ATOM 0 HE22 GLN A 38 5.372 -1.896 10.663 1.00 2.12 H new ATOM 618 N LEU A 39 4.588 -0.866 7.544 1.00 0.43 N ATOM 619 CA LEU A 39 3.219 -1.328 7.405 1.00 0.46 C ATOM 620 C LEU A 39 2.865 -2.297 8.518 1.00 0.55 C ATOM 621 O LEU A 39 3.146 -3.494 8.439 1.00 0.77 O ATOM 622 CB LEU A 39 3.029 -1.982 6.030 1.00 0.61 C ATOM 623 CG LEU A 39 1.646 -2.582 5.766 1.00 1.05 C ATOM 624 CD1 LEU A 39 0.571 -1.511 5.861 1.00 1.75 C ATOM 625 CD2 LEU A 39 1.614 -3.251 4.400 1.00 1.45 C ATOM 0 H LEU A 39 5.294 -1.590 7.410 1.00 0.43 H new ATOM 0 HA LEU A 39 2.548 -0.473 7.482 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.234 -1.236 5.262 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.774 -2.769 5.917 1.00 0.61 H new ATOM 0 HG LEU A 39 1.444 -3.336 6.527 1.00 1.05 H new ATOM 0 HD11 LEU A 39 -0.405 -1.957 5.670 1.00 1.75 H new ATOM 0 HD12 LEU A 39 0.581 -1.073 6.859 1.00 1.75 H new ATOM 0 HD13 LEU A 39 0.765 -0.734 5.122 1.00 1.75 H new ATOM 0 HD21 LEU A 39 0.625 -3.674 4.225 1.00 1.45 H new ATOM 0 HD22 LEU A 39 1.835 -2.514 3.628 1.00 1.45 H new ATOM 0 HD23 LEU A 39 2.359 -4.046 4.367 1.00 1.45 H new ATOM 637 N SER A 40 2.255 -1.759 9.551 1.00 0.46 N ATOM 638 CA SER A 40 1.867 -2.542 10.708 1.00 0.56 C ATOM 639 C SER A 40 0.359 -2.693 10.774 1.00 0.42 C ATOM 640 O SER A 40 -0.379 -2.047 10.029 1.00 0.37 O ATOM 641 CB SER A 40 2.372 -1.884 11.987 1.00 0.71 C ATOM 642 OG SER A 40 3.781 -1.778 11.986 1.00 1.38 O ATOM 0 H SER A 40 2.014 -0.770 9.615 1.00 0.46 H new ATOM 0 HA SER A 40 2.315 -3.531 10.612 1.00 0.56 H new ATOM 0 HB2 SER A 40 1.930 -0.893 12.088 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.049 -2.466 12.850 1.00 0.71 H new ATOM 0 HG SER A 40 4.038 -0.836 11.898 1.00 1.38 H new ATOM 648 N ALA A 41 -0.084 -3.537 11.684 1.00 0.56 N ATOM 649 CA ALA A 41 -1.485 -3.646 12.019 1.00 0.56 C ATOM 650 C ALA A 41 -1.632 -3.120 13.433 1.00 0.64 C ATOM 651 O ALA A 41 -1.226 -3.768 14.397 1.00 0.84 O ATOM 652 CB ALA A 41 -1.963 -5.089 11.911 1.00 0.89 C ATOM 0 H ALA A 41 0.520 -4.167 12.212 1.00 0.56 H new ATOM 0 HA ALA A 41 -2.099 -3.070 11.327 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -3.021 -5.142 12.169 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.820 -5.444 10.891 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.391 -5.714 12.597 1.00 0.89 H new ATOM 658 N GLU A 42 -2.190 -1.928 13.546 1.00 0.92 N ATOM 659 CA GLU A 42 -1.992 -1.136 14.740 1.00 1.34 C ATOM 660 C GLU A 42 -3.227 -1.202 15.623 1.00 1.34 C ATOM 661 O GLU A 42 -3.128 -1.312 16.842 1.00 1.64 O ATOM 662 CB GLU A 42 -1.662 0.311 14.351 1.00 1.88 C ATOM 663 CG GLU A 42 -0.777 1.031 15.342 1.00 2.46 C ATOM 664 CD GLU A 42 0.528 1.480 14.716 1.00 2.62 C ATOM 665 OE1 GLU A 42 0.531 2.523 14.027 1.00 3.12 O ATOM 666 OE2 GLU A 42 1.556 0.797 14.913 1.00 2.70 O ATOM 0 H GLU A 42 -2.776 -1.494 12.833 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.153 -1.538 15.309 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -1.173 0.311 13.377 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.593 0.867 14.241 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -1.306 1.898 15.738 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.567 0.373 16.185 1.00 2.46 H new ATOM 673 N SER A 43 -4.388 -1.130 14.999 1.00 1.09 N ATOM 674 CA SER A 43 -5.639 -1.297 15.700 1.00 1.14 C ATOM 675 C SER A 43 -6.269 -2.593 15.235 1.00 1.00 C ATOM 676 O SER A 43 -5.833 -3.163 14.230 1.00 1.09 O ATOM 677 CB SER A 43 -6.553 -0.103 15.426 1.00 1.24 C ATOM 678 OG SER A 43 -5.852 1.123 15.589 1.00 1.59 O ATOM 0 H SER A 43 -4.486 -0.955 13.999 1.00 1.09 H new ATOM 0 HA SER A 43 -5.476 -1.342 16.777 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.948 -0.168 14.412 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.407 -0.131 16.103 1.00 1.24 H new ATOM 0 HG SER A 43 -6.457 1.872 15.407 1.00 1.59 H new ATOM 684 N VAL A 44 -7.270 -3.071 15.951 1.00 0.92 N ATOM 685 CA VAL A 44 -7.895 -4.326 15.581 1.00 0.91 C ATOM 686 C VAL A 44 -8.437 -4.247 14.161 1.00 0.77 C ATOM 687 O VAL A 44 -9.306 -3.432 13.856 1.00 0.79 O ATOM 688 CB VAL A 44 -9.042 -4.698 16.544 1.00 1.07 C ATOM 689 CG1 VAL A 44 -9.668 -6.022 16.141 1.00 1.85 C ATOM 690 CG2 VAL A 44 -8.534 -4.761 17.976 1.00 1.83 C ATOM 0 H VAL A 44 -7.662 -2.619 16.777 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.130 -5.100 15.643 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.808 -3.925 16.484 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -10.475 -6.268 16.831 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -10.067 -5.943 15.130 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -8.912 -6.806 16.172 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -9.355 -5.025 18.642 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -7.750 -5.514 18.051 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -8.132 -3.789 18.263 1.00 1.83 H new ATOM 700 N GLY A 45 -7.874 -5.064 13.285 1.00 0.73 N ATOM 701 CA GLY A 45 -8.371 -5.163 11.933 1.00 0.67 C ATOM 702 C GLY A 45 -7.760 -4.130 11.008 1.00 0.54 C ATOM 703 O GLY A 45 -7.814 -4.274 9.785 1.00 0.56 O ATOM 0 H GLY A 45 -7.075 -5.664 13.490 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.162 -6.160 11.546 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.454 -5.044 11.939 1.00 0.67 H new ATOM 707 N GLU A 46 -7.171 -3.087 11.584 1.00 0.56 N ATOM 708 CA GLU A 46 -6.657 -1.983 10.789 1.00 0.50 C ATOM 709 C GLU A 46 -5.163 -2.083 10.574 1.00 0.40 C ATOM 710 O GLU A 46 -4.411 -2.519 11.447 1.00 0.48 O ATOM 711 CB GLU A 46 -6.976 -0.633 11.431 1.00 0.75 C ATOM 712 CG GLU A 46 -8.209 -0.674 12.298 1.00 1.02 C ATOM 713 CD GLU A 46 -8.670 0.692 12.769 1.00 1.35 C ATOM 714 OE1 GLU A 46 -8.521 1.663 12.005 1.00 1.80 O ATOM 715 OE2 GLU A 46 -9.157 0.812 13.914 1.00 1.67 O ATOM 0 H GLU A 46 -7.039 -2.985 12.590 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.156 -2.051 9.822 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.125 -0.312 12.032 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.113 0.113 10.648 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -9.018 -1.149 11.742 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -8.010 -1.300 13.168 1.00 1.02 H new ATOM 722 N VAL A 47 -4.751 -1.654 9.404 1.00 0.33 N ATOM 723 CA VAL A 47 -3.348 -1.555 9.061 1.00 0.33 C ATOM 724 C VAL A 47 -2.961 -0.108 8.872 1.00 0.33 C ATOM 725 O VAL A 47 -3.741 0.698 8.354 1.00 0.36 O ATOM 726 CB VAL A 47 -2.954 -2.345 7.803 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.888 -3.830 8.106 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.915 -2.065 6.658 1.00 0.48 C ATOM 0 H VAL A 47 -5.382 -1.362 8.658 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.808 -2.000 9.897 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.963 -2.016 7.492 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.608 -4.373 7.204 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.146 -4.010 8.883 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.863 -4.175 8.449 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.612 -2.637 5.781 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.924 -2.356 6.950 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.898 -1.001 6.421 1.00 0.48 H new ATOM 738 N TYR A 48 -1.765 0.219 9.299 1.00 0.34 N ATOM 739 CA TYR A 48 -1.309 1.588 9.288 1.00 0.36 C ATOM 740 C TYR A 48 -0.113 1.699 8.360 1.00 0.38 C ATOM 741 O TYR A 48 0.885 0.996 8.522 1.00 0.39 O ATOM 742 CB TYR A 48 -0.923 2.016 10.708 1.00 0.41 C ATOM 743 CG TYR A 48 -0.881 3.514 10.933 1.00 0.55 C ATOM 744 CD1 TYR A 48 0.222 4.255 10.534 1.00 0.91 C ATOM 745 CD2 TYR A 48 -1.944 4.188 11.519 1.00 1.47 C ATOM 746 CE1 TYR A 48 0.267 5.623 10.711 1.00 1.00 C ATOM 747 CE2 TYR A 48 -1.906 5.558 11.705 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.807 6.256 11.396 1.00 1.23 C ATOM 749 OH TYR A 48 -0.758 7.635 11.461 1.00 1.60 O ATOM 0 H TYR A 48 -1.085 -0.450 9.661 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.104 2.243 8.933 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.633 1.578 11.410 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.057 1.600 10.944 1.00 0.41 H new ATOM 0 HD1 TYR A 48 1.061 3.752 10.076 1.00 0.91 H new ATOM 0 HD2 TYR A 48 -2.815 3.633 11.835 1.00 1.47 H new ATOM 0 HE1 TYR A 48 1.100 6.200 10.337 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -2.770 6.069 12.103 1.00 1.79 H new ATOM 0 HH TYR A 48 -1.540 7.967 11.949 1.00 1.60 H new ATOM 759 N ILE A 49 -0.233 2.581 7.384 1.00 0.42 N ATOM 760 CA ILE A 49 0.795 2.760 6.379 1.00 0.44 C ATOM 761 C ILE A 49 1.565 4.027 6.679 1.00 0.42 C ATOM 762 O ILE A 49 1.095 5.137 6.426 1.00 0.52 O ATOM 763 CB ILE A 49 0.189 2.833 4.962 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.706 1.614 4.716 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.296 2.912 3.919 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.433 1.640 3.390 1.00 1.20 C ATOM 0 H ILE A 49 -1.043 3.190 7.267 1.00 0.42 H new ATOM 0 HA ILE A 49 1.465 1.901 6.409 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.420 3.733 4.879 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.096 0.712 4.766 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.440 1.547 5.519 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.855 2.963 2.924 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.899 3.803 4.095 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.928 2.027 3.991 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.045 0.743 3.293 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.072 2.522 3.343 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.707 1.674 2.578 1.00 1.20 H new ATOM 778 N LYS A 50 2.738 3.855 7.245 1.00 0.36 N ATOM 779 CA LYS A 50 3.508 4.972 7.730 1.00 0.37 C ATOM 780 C LYS A 50 4.868 4.996 7.062 1.00 0.35 C ATOM 781 O LYS A 50 5.389 3.961 6.664 1.00 0.36 O ATOM 782 CB LYS A 50 3.617 4.911 9.265 1.00 0.44 C ATOM 783 CG LYS A 50 4.290 3.656 9.801 1.00 0.93 C ATOM 784 CD LYS A 50 3.571 3.087 11.021 1.00 0.88 C ATOM 785 CE LYS A 50 3.576 4.045 12.205 1.00 1.35 C ATOM 786 NZ LYS A 50 3.018 3.410 13.434 1.00 1.86 N ATOM 0 H LYS A 50 3.180 2.946 7.380 1.00 0.36 H new ATOM 0 HA LYS A 50 3.002 5.903 7.474 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.173 5.782 9.612 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.616 4.981 9.691 1.00 0.44 H new ATOM 0 HG2 LYS A 50 4.322 2.900 9.016 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.322 3.885 10.065 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.541 2.851 10.754 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.046 2.151 11.314 1.00 0.88 H new ATOM 0 HE2 LYS A 50 4.596 4.378 12.399 1.00 1.35 H new ATOM 0 HE3 LYS A 50 2.993 4.932 11.957 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 3.054 4.088 14.222 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 2.031 3.130 13.263 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 3.579 2.568 13.675 1.00 1.86 H new ATOM 800 N SER A 51 5.433 6.174 6.926 1.00 0.40 N ATOM 801 CA SER A 51 6.754 6.312 6.380 1.00 0.39 C ATOM 802 C SER A 51 7.754 6.012 7.448 1.00 0.39 C ATOM 803 O SER A 51 7.569 6.367 8.616 1.00 0.48 O ATOM 804 CB SER A 51 7.005 7.758 5.936 1.00 0.48 C ATOM 805 OG SER A 51 6.006 8.230 5.067 1.00 1.10 O ATOM 0 H SER A 51 4.990 7.054 7.190 1.00 0.40 H new ATOM 0 HA SER A 51 6.845 5.633 5.533 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.054 8.402 6.814 1.00 0.48 H new ATOM 0 HB3 SER A 51 7.974 7.821 5.440 1.00 0.48 H new ATOM 0 HG SER A 51 5.207 7.669 5.151 1.00 1.10 H new ATOM 811 N THR A 52 8.806 5.344 7.046 1.00 0.35 N ATOM 812 CA THR A 52 9.971 5.321 7.858 1.00 0.41 C ATOM 813 C THR A 52 10.594 6.685 7.648 1.00 0.45 C ATOM 814 O THR A 52 10.141 7.666 8.240 1.00 0.53 O ATOM 815 CB THR A 52 10.923 4.190 7.447 1.00 0.43 C ATOM 816 OG1 THR A 52 10.155 3.022 7.148 1.00 0.62 O ATOM 817 CG2 THR A 52 11.899 3.874 8.561 1.00 0.77 C ATOM 0 H THR A 52 8.869 4.820 6.173 1.00 0.35 H new ATOM 0 HA THR A 52 9.744 5.128 8.907 1.00 0.41 H new ATOM 0 HB THR A 52 11.489 4.508 6.571 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.950 3.002 6.190 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.563 3.069 8.246 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.488 4.762 8.791 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.349 3.563 9.449 1.00 0.77 H new ATOM 825 N GLU A 53 11.599 6.789 6.830 1.00 0.46 N ATOM 826 CA GLU A 53 11.978 8.123 6.385 1.00 0.53 C ATOM 827 C GLU A 53 11.278 8.463 5.066 1.00 0.44 C ATOM 828 O GLU A 53 10.676 9.527 4.910 1.00 0.47 O ATOM 829 CB GLU A 53 13.494 8.258 6.223 1.00 0.68 C ATOM 830 CG GLU A 53 13.907 9.622 5.689 1.00 1.43 C ATOM 831 CD GLU A 53 15.404 9.833 5.664 1.00 1.83 C ATOM 832 OE1 GLU A 53 16.053 9.348 4.718 1.00 2.55 O ATOM 833 OE2 GLU A 53 15.940 10.453 6.602 1.00 2.11 O ATOM 0 H GLU A 53 12.156 6.016 6.464 1.00 0.46 H new ATOM 0 HA GLU A 53 11.660 8.827 7.154 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.975 8.088 7.186 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.854 7.483 5.546 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.514 9.742 4.679 1.00 1.43 H new ATOM 0 HG3 GLU A 53 13.449 10.397 6.303 1.00 1.43 H new ATOM 840 N THR A 54 11.348 7.519 4.142 1.00 0.36 N ATOM 841 CA THR A 54 10.858 7.697 2.782 1.00 0.30 C ATOM 842 C THR A 54 9.643 6.834 2.437 1.00 0.31 C ATOM 843 O THR A 54 9.420 6.565 1.262 1.00 0.38 O ATOM 844 CB THR A 54 11.997 7.411 1.794 1.00 0.40 C ATOM 845 OG1 THR A 54 13.225 7.255 2.524 1.00 1.13 O ATOM 846 CG2 THR A 54 12.150 8.541 0.789 1.00 0.93 C ATOM 0 H THR A 54 11.750 6.598 4.315 1.00 0.36 H new ATOM 0 HA THR A 54 10.521 8.731 2.706 1.00 0.30 H new ATOM 0 HB THR A 54 11.760 6.498 1.248 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.865 6.747 1.983 1.00 1.13 H new ATOM 0 HG21 THR A 54 12.964 8.310 0.103 1.00 0.93 H new ATOM 0 HG22 THR A 54 11.223 8.656 0.227 1.00 0.93 H new ATOM 0 HG23 THR A 54 12.372 9.469 1.316 1.00 0.93 H new ATOM 854 N GLY A 55 8.877 6.351 3.415 1.00 0.33 N ATOM 855 CA GLY A 55 8.081 5.178 3.104 1.00 0.40 C ATOM 856 C GLY A 55 6.654 5.371 2.640 1.00 0.46 C ATOM 857 O GLY A 55 6.204 4.521 1.883 1.00 0.56 O ATOM 0 H GLY A 55 8.795 6.724 4.361 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.607 4.617 2.331 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.057 4.549 3.994 1.00 0.40 H new ATOM 861 N GLN A 56 5.981 6.476 2.993 1.00 0.43 N ATOM 862 CA GLN A 56 4.684 6.840 2.364 1.00 0.54 C ATOM 863 C GLN A 56 3.809 7.733 3.234 1.00 0.56 C ATOM 864 O GLN A 56 3.507 7.404 4.378 1.00 0.63 O ATOM 865 CB GLN A 56 3.822 5.606 2.059 1.00 0.81 C ATOM 866 CG GLN A 56 3.562 5.406 0.583 1.00 0.91 C ATOM 867 CD GLN A 56 3.104 6.683 -0.070 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.821 6.955 0.022 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 3.899 7.440 -0.608 1.00 1.06 N flip ATOM 0 H GLN A 56 6.302 7.134 3.703 1.00 0.43 H new ATOM 0 HA GLN A 56 4.984 7.366 1.458 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.316 4.719 2.457 1.00 0.81 H new ATOM 0 HB3 GLN A 56 2.869 5.700 2.579 1.00 0.81 H new ATOM 0 HG2 GLN A 56 4.471 5.052 0.096 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.805 4.633 0.446 1.00 0.91 H new ATOM 0 HE21 GLN A 56 4.887 7.191 -0.658 1.00 1.06 H new ATOM 0 HE22 GLN A 56 3.575 8.321 -1.007 1.00 1.06 H new ATOM 878 N TYR A 57 3.302 8.802 2.632 1.00 0.57 N ATOM 879 CA TYR A 57 2.220 9.562 3.232 1.00 0.62 C ATOM 880 C TYR A 57 0.947 9.129 2.593 1.00 0.59 C ATOM 881 O TYR A 57 0.274 9.893 1.916 1.00 0.67 O ATOM 882 CB TYR A 57 2.422 11.089 3.126 1.00 0.76 C ATOM 883 CG TYR A 57 1.198 11.936 3.436 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.429 11.717 4.577 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.806 12.948 2.568 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.694 12.482 4.838 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.311 13.718 2.826 1.00 3.64 C ATOM 888 CZ TYR A 57 -1.060 13.479 3.957 1.00 3.91 C ATOM 889 OH TYR A 57 -2.177 14.246 4.206 1.00 4.98 O ATOM 0 H TYR A 57 3.623 9.159 1.732 1.00 0.57 H new ATOM 0 HA TYR A 57 2.195 9.357 4.302 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.224 11.379 3.805 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.758 11.324 2.116 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.714 10.938 5.269 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.385 13.136 1.676 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.281 12.300 5.726 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.596 14.505 2.143 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.792 13.750 4.786 1.00 4.98 H new ATOM 899 N LEU A 58 0.586 7.898 2.835 1.00 0.55 N ATOM 900 CA LEU A 58 -0.519 7.353 2.120 1.00 0.58 C ATOM 901 C LEU A 58 -1.775 7.950 2.672 1.00 0.56 C ATOM 902 O LEU A 58 -2.005 8.011 3.872 1.00 0.72 O ATOM 903 CB LEU A 58 -0.535 5.831 2.160 1.00 0.70 C ATOM 904 CG LEU A 58 -0.666 5.194 0.777 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.261 3.729 0.807 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.086 5.337 0.250 1.00 1.85 C ATOM 0 H LEU A 58 1.032 7.272 3.506 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.432 7.610 1.064 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.382 5.477 2.631 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.363 5.499 2.786 1.00 0.70 H new ATOM 0 HG LEU A 58 0.010 5.721 0.104 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.364 3.302 -0.191 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.776 3.645 1.132 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.904 3.188 1.501 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.156 4.877 -0.736 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.779 4.843 0.932 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.342 6.394 0.176 1.00 1.85 H new ATOM 918 N ALA A 59 -2.519 8.482 1.764 1.00 0.47 N ATOM 919 CA ALA A 59 -3.638 9.308 2.076 1.00 0.46 C ATOM 920 C ALA A 59 -4.768 8.948 1.151 1.00 0.46 C ATOM 921 O ALA A 59 -4.585 8.856 -0.066 1.00 0.51 O ATOM 922 CB ALA A 59 -3.245 10.776 1.938 1.00 0.54 C ATOM 0 H ALA A 59 -2.365 8.353 0.764 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.962 9.149 3.104 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.102 11.406 2.177 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.428 11.000 2.623 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.924 10.972 0.915 1.00 0.54 H new ATOM 928 N MET A 60 -5.921 8.707 1.717 1.00 0.48 N ATOM 929 CA MET A 60 -7.076 8.409 0.910 1.00 0.52 C ATOM 930 C MET A 60 -7.693 9.721 0.423 1.00 0.55 C ATOM 931 O MET A 60 -7.737 10.711 1.153 1.00 0.74 O ATOM 932 CB MET A 60 -8.086 7.593 1.738 1.00 0.66 C ATOM 933 CG MET A 60 -9.084 8.443 2.516 1.00 1.76 C ATOM 934 SD MET A 60 -8.304 9.389 3.839 1.00 2.80 S ATOM 935 CE MET A 60 -9.550 10.628 4.174 1.00 3.74 C ATOM 0 H MET A 60 -6.086 8.711 2.724 1.00 0.48 H new ATOM 0 HA MET A 60 -6.790 7.814 0.043 1.00 0.52 H new ATOM 0 HB2 MET A 60 -8.634 6.928 1.070 1.00 0.66 H new ATOM 0 HB3 MET A 60 -7.539 6.961 2.438 1.00 0.66 H new ATOM 0 HG2 MET A 60 -9.585 9.127 1.831 1.00 1.76 H new ATOM 0 HG3 MET A 60 -9.853 7.797 2.940 1.00 1.76 H new ATOM 0 HE1 MET A 60 -9.161 11.614 3.919 1.00 3.74 H new ATOM 0 HE2 MET A 60 -10.438 10.422 3.576 1.00 3.74 H new ATOM 0 HE3 MET A 60 -9.812 10.604 5.232 1.00 3.74 H new ATOM 945 N ASP A 61 -8.128 9.749 -0.824 1.00 0.51 N ATOM 946 CA ASP A 61 -8.682 10.969 -1.389 1.00 0.56 C ATOM 947 C ASP A 61 -10.184 10.888 -1.338 1.00 0.56 C ATOM 948 O ASP A 61 -10.847 10.657 -2.355 1.00 0.64 O ATOM 949 CB ASP A 61 -8.224 11.176 -2.824 1.00 0.71 C ATOM 950 CG ASP A 61 -8.519 12.577 -3.323 1.00 1.02 C ATOM 951 OD1 ASP A 61 -8.132 13.555 -2.653 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.160 12.708 -4.385 1.00 1.34 O ATOM 0 H ASP A 61 -8.110 8.951 -1.460 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.328 11.818 -0.804 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.153 10.986 -2.893 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -8.719 10.450 -3.470 1.00 0.71 H new ATOM 957 N THR A 62 -10.700 11.019 -0.125 1.00 0.65 N ATOM 958 CA THR A 62 -12.100 10.850 0.166 1.00 0.83 C ATOM 959 C THR A 62 -12.410 9.364 0.162 1.00 0.87 C ATOM 960 O THR A 62 -12.907 8.832 1.149 1.00 1.31 O ATOM 961 CB THR A 62 -12.976 11.614 -0.831 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.550 12.984 -0.885 1.00 1.47 O ATOM 963 CG2 THR A 62 -14.434 11.546 -0.429 1.00 1.55 C ATOM 0 H THR A 62 -10.139 11.250 0.695 1.00 0.65 H new ATOM 0 HA THR A 62 -12.325 11.266 1.148 1.00 0.83 H new ATOM 0 HB THR A 62 -12.871 11.155 -1.814 1.00 0.97 H new ATOM 0 HG1 THR A 62 -13.108 13.475 -1.524 1.00 1.47 H new ATOM 0 HG21 THR A 62 -15.037 12.096 -1.152 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.756 10.505 -0.404 1.00 1.55 H new ATOM 0 HG23 THR A 62 -14.560 11.988 0.559 1.00 1.55 H new ATOM 971 N ASP A 63 -12.095 8.722 -0.962 1.00 0.78 N ATOM 972 CA ASP A 63 -12.011 7.266 -1.061 1.00 0.88 C ATOM 973 C ASP A 63 -11.768 6.846 -2.513 1.00 0.87 C ATOM 974 O ASP A 63 -11.572 5.674 -2.808 1.00 0.96 O ATOM 975 CB ASP A 63 -13.293 6.627 -0.545 1.00 1.05 C ATOM 976 CG ASP A 63 -13.045 5.328 0.188 1.00 1.19 C ATOM 977 OD1 ASP A 63 -12.672 4.332 -0.470 1.00 1.42 O ATOM 978 OD2 ASP A 63 -13.176 5.296 1.421 1.00 1.54 O ATOM 0 H ASP A 63 -11.889 9.203 -1.838 1.00 0.78 H new ATOM 0 HA ASP A 63 -11.175 6.925 -0.450 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.799 7.325 0.122 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.965 6.444 -1.383 1.00 1.05 H new ATOM 983 N GLY A 64 -11.725 7.827 -3.409 1.00 0.82 N ATOM 984 CA GLY A 64 -11.754 7.545 -4.826 1.00 0.89 C ATOM 985 C GLY A 64 -10.377 7.439 -5.424 1.00 0.90 C ATOM 986 O GLY A 64 -10.217 6.889 -6.506 1.00 1.17 O ATOM 0 H GLY A 64 -11.670 8.818 -3.173 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -12.293 6.613 -4.996 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -12.309 8.331 -5.338 1.00 0.89 H new ATOM 990 N LEU A 65 -9.384 7.985 -4.744 1.00 0.72 N ATOM 991 CA LEU A 65 -7.998 7.739 -5.108 1.00 0.71 C ATOM 992 C LEU A 65 -7.178 7.569 -3.855 1.00 0.67 C ATOM 993 O LEU A 65 -7.642 7.848 -2.748 1.00 0.79 O ATOM 994 CB LEU A 65 -7.352 8.876 -5.897 1.00 0.74 C ATOM 995 CG LEU A 65 -8.240 9.665 -6.866 1.00 1.41 C ATOM 996 CD1 LEU A 65 -7.549 10.955 -7.270 1.00 2.03 C ATOM 997 CD2 LEU A 65 -8.563 8.855 -8.101 1.00 2.04 C ATOM 0 H LEU A 65 -9.510 8.599 -3.940 1.00 0.72 H new ATOM 0 HA LEU A 65 -8.013 6.849 -5.736 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -6.927 9.581 -5.182 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -6.521 8.459 -6.467 1.00 0.74 H new ATOM 0 HG LEU A 65 -9.174 9.893 -6.353 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.187 11.509 -7.958 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -7.360 11.560 -6.383 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.603 10.723 -7.759 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -9.194 9.443 -8.767 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -7.639 8.592 -8.615 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -9.089 7.945 -7.812 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.962 7.110 -4.040 1.00 0.65 N ATOM 1010 CA LEU A 66 -5.003 7.029 -2.962 1.00 0.68 C ATOM 1011 C LEU A 66 -3.658 7.620 -3.373 1.00 0.63 C ATOM 1012 O LEU A 66 -2.917 7.082 -4.215 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.826 5.582 -2.506 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.225 4.480 -3.499 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -6.732 4.258 -3.524 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -4.694 4.733 -4.910 1.00 1.56 C ATOM 0 H LEU A 66 -5.610 6.783 -4.940 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.391 7.615 -2.129 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.778 5.436 -2.243 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.406 5.442 -1.594 1.00 0.90 H new ATOM 0 HG LEU A 66 -4.752 3.567 -3.136 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -6.972 3.471 -4.239 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -7.073 3.963 -2.532 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -7.231 5.181 -3.820 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -5.007 3.922 -5.567 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -5.090 5.677 -5.284 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -3.605 4.781 -4.886 1.00 1.56 H new ATOM 1028 N TYR A 67 -3.325 8.714 -2.746 1.00 0.62 N ATOM 1029 CA TYR A 67 -2.070 9.384 -3.057 1.00 0.63 C ATOM 1030 C TYR A 67 -1.283 9.620 -1.784 1.00 0.70 C ATOM 1031 O TYR A 67 -1.864 9.900 -0.749 1.00 0.98 O ATOM 1032 CB TYR A 67 -2.358 10.712 -3.768 1.00 0.91 C ATOM 1033 CG TYR A 67 -3.059 11.739 -2.901 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -4.422 11.647 -2.646 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -2.359 12.804 -2.347 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -5.065 12.588 -1.864 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.995 13.745 -1.565 1.00 1.16 C ATOM 1038 CZ TYR A 67 -4.342 13.612 -1.296 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.982 14.576 -0.549 1.00 1.64 O ATOM 0 H TYR A 67 -3.889 9.164 -2.025 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.475 8.754 -3.719 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -1.417 11.133 -4.123 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.971 10.515 -4.647 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.987 10.828 -3.065 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -1.299 12.896 -2.532 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -6.130 12.520 -1.699 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.442 14.582 -1.165 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.325 15.225 -0.220 1.00 1.64 H new ATOM 1049 N GLY A 68 0.033 9.555 -1.857 1.00 0.66 N ATOM 1050 CA GLY A 68 0.822 9.806 -0.677 1.00 0.80 C ATOM 1051 C GLY A 68 2.283 9.996 -0.963 1.00 0.81 C ATOM 1052 O GLY A 68 2.752 9.547 -2.005 1.00 0.85 O ATOM 0 H GLY A 68 0.563 9.336 -2.700 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.439 10.695 -0.176 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.701 8.973 0.015 1.00 0.80 H new ATOM 1056 N SER A 69 3.013 10.667 -0.066 1.00 0.91 N ATOM 1057 CA SER A 69 4.485 10.546 -0.113 1.00 1.08 C ATOM 1058 C SER A 69 5.269 10.683 1.220 1.00 1.38 C ATOM 1059 O SER A 69 5.987 9.767 1.604 1.00 1.62 O ATOM 1060 CB SER A 69 5.043 11.581 -1.081 1.00 1.08 C ATOM 1061 OG SER A 69 4.435 11.464 -2.349 1.00 1.39 O ATOM 0 H SER A 69 2.641 11.271 0.667 1.00 0.91 H new ATOM 0 HA SER A 69 4.637 9.512 -0.423 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.877 12.583 -0.684 1.00 1.08 H new ATOM 0 HB3 SER A 69 6.121 11.451 -1.177 1.00 1.08 H new ATOM 0 HG SER A 69 5.121 11.515 -3.047 1.00 1.39 H new ATOM 1067 N GLN A 70 5.111 11.793 1.932 1.00 1.49 N ATOM 1068 CA GLN A 70 6.114 12.167 2.960 1.00 1.85 C ATOM 1069 C GLN A 70 5.928 11.575 4.372 1.00 1.93 C ATOM 1070 O GLN A 70 6.885 11.111 4.991 1.00 2.19 O ATOM 1071 CB GLN A 70 6.190 13.689 3.064 1.00 2.07 C ATOM 1072 CG GLN A 70 6.646 14.359 1.777 1.00 2.63 C ATOM 1073 CD GLN A 70 6.792 15.861 1.918 1.00 3.22 C ATOM 1074 OE1 GLN A 70 7.861 16.364 2.274 1.00 3.66 O ATOM 1075 NE2 GLN A 70 5.725 16.592 1.632 1.00 3.79 N ATOM 0 H GLN A 70 4.329 12.441 1.833 1.00 1.49 H new ATOM 0 HA GLN A 70 7.040 11.720 2.599 1.00 1.85 H new ATOM 0 HB2 GLN A 70 5.209 14.077 3.339 1.00 2.07 H new ATOM 0 HB3 GLN A 70 6.876 13.957 3.868 1.00 2.07 H new ATOM 0 HG2 GLN A 70 7.601 13.933 1.469 1.00 2.63 H new ATOM 0 HG3 GLN A 70 5.929 14.141 0.985 1.00 2.63 H new ATOM 0 HE21 GLN A 70 4.859 16.138 1.341 1.00 3.79 H new ATOM 0 HE22 GLN A 70 5.769 17.609 1.703 1.00 3.79 H new ATOM 1084 N THR A 71 4.707 11.568 4.854 1.00 1.75 N ATOM 1085 CA THR A 71 4.431 11.426 6.295 1.00 1.78 C ATOM 1086 C THR A 71 3.426 10.312 6.596 1.00 1.56 C ATOM 1087 O THR A 71 2.926 9.693 5.698 1.00 1.63 O ATOM 1088 CB THR A 71 3.882 12.759 6.818 1.00 1.94 C ATOM 1089 OG1 THR A 71 3.157 13.416 5.766 1.00 2.26 O ATOM 1090 CG2 THR A 71 5.008 13.655 7.314 1.00 2.31 C ATOM 0 H THR A 71 3.871 11.659 4.277 1.00 1.75 H new ATOM 0 HA THR A 71 5.364 11.158 6.791 1.00 1.78 H new ATOM 0 HB THR A 71 3.216 12.560 7.658 1.00 1.94 H new ATOM 0 HG1 THR A 71 2.491 12.801 5.394 1.00 2.26 H new ATOM 0 HG21 THR A 71 4.592 14.594 7.679 1.00 2.31 H new ATOM 0 HG22 THR A 71 5.541 13.155 8.123 1.00 2.31 H new ATOM 0 HG23 THR A 71 5.698 13.858 6.495 1.00 2.31 H new ATOM 1098 N PRO A 72 3.117 9.999 7.860 1.00 1.41 N ATOM 1099 CA PRO A 72 2.000 9.127 8.154 1.00 1.20 C ATOM 1100 C PRO A 72 0.891 9.807 8.964 1.00 1.04 C ATOM 1101 O PRO A 72 1.018 10.005 10.179 1.00 1.06 O ATOM 1102 CB PRO A 72 2.686 8.107 9.043 1.00 1.31 C ATOM 1103 CG PRO A 72 3.771 8.886 9.765 1.00 1.49 C ATOM 1104 CD PRO A 72 3.901 10.231 9.064 1.00 1.53 C ATOM 0 HA PRO A 72 1.506 8.758 7.255 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.984 7.661 9.748 1.00 1.31 H new ATOM 0 HB3 PRO A 72 3.109 7.292 8.456 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.513 9.023 10.815 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.717 8.345 9.737 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.501 11.048 9.664 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.938 10.479 8.838 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.195 10.169 8.296 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.354 10.695 8.988 1.00 0.86 C ATOM 1114 C ASN A 73 -2.238 9.511 9.225 1.00 0.68 C ATOM 1115 O ASN A 73 -1.896 8.418 8.764 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.057 11.763 8.138 1.00 0.98 C ATOM 1117 CG ASN A 73 -3.049 12.591 8.935 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -2.908 12.753 10.147 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -4.044 13.142 8.259 1.00 2.17 N ATOM 0 H ASN A 73 -0.294 10.107 7.283 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.088 11.187 9.924 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -1.308 12.423 7.701 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -2.577 11.279 7.311 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -4.728 13.725 8.742 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -4.127 12.984 7.255 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.389 9.646 9.838 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.291 8.616 9.511 1.00 0.47 C ATOM 1128 C GLU A 74 -5.290 9.213 8.569 1.00 0.52 C ATOM 1129 O GLU A 74 -6.260 9.887 8.908 1.00 0.64 O ATOM 1130 CB GLU A 74 -4.965 8.012 10.756 1.00 0.49 C ATOM 1131 CG GLU A 74 -5.529 9.023 11.748 1.00 1.15 C ATOM 1132 CD GLU A 74 -4.477 9.583 12.686 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -3.829 10.590 12.328 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -4.291 9.020 13.781 1.00 1.84 O ATOM 0 H GLU A 74 -3.686 10.373 10.488 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.766 7.782 9.045 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.774 7.358 10.430 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.239 7.386 11.274 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -5.992 9.843 11.199 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.315 8.548 12.335 1.00 1.15 H new ATOM 1141 N GLU A 75 -4.969 8.872 7.358 1.00 0.49 N ATOM 1142 CA GLU A 75 -5.793 8.867 6.194 1.00 0.52 C ATOM 1143 C GLU A 75 -5.512 7.546 5.517 1.00 0.40 C ATOM 1144 O GLU A 75 -6.318 7.019 4.754 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.407 10.030 5.288 1.00 0.69 C ATOM 1146 CG GLU A 75 -5.736 11.389 5.890 1.00 0.89 C ATOM 1147 CD GLU A 75 -5.210 12.553 5.076 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -5.783 12.827 4.000 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -4.204 13.177 5.486 1.00 2.16 O ATOM 0 H GLU A 75 -4.023 8.558 7.142 1.00 0.49 H new ATOM 0 HA GLU A 75 -6.851 8.979 6.430 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.338 9.981 5.079 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -5.924 9.927 4.334 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -6.818 11.483 5.987 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.320 11.442 6.896 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.291 7.044 5.794 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.806 5.809 5.205 1.00 0.47 C ATOM 1158 C CYS A 76 -4.452 4.578 5.827 1.00 0.40 C ATOM 1159 O CYS A 76 -4.095 3.452 5.486 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.293 5.706 5.400 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.774 5.669 7.131 1.00 1.40 S ATOM 0 H CYS A 76 -3.629 7.490 6.429 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.066 5.837 4.147 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.934 4.804 4.905 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.815 6.552 4.906 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.492 5.463 7.195 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.388 4.779 6.739 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.935 3.668 7.481 1.00 0.46 C ATOM 1169 C LEU A 77 -6.914 2.904 6.631 1.00 0.39 C ATOM 1170 O LEU A 77 -7.928 3.442 6.176 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.626 4.144 8.759 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.702 4.393 9.949 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -6.499 4.901 11.139 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -4.962 3.117 10.316 1.00 1.59 C ATOM 0 H LEU A 77 -5.778 5.691 6.978 1.00 0.37 H new ATOM 0 HA LEU A 77 -5.109 3.013 7.758 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -7.164 5.066 8.539 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -7.370 3.402 9.048 1.00 0.66 H new ATOM 0 HG LEU A 77 -4.972 5.152 9.670 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -5.827 5.074 11.980 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -6.995 5.834 10.873 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.247 4.159 11.419 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -4.307 3.308 11.166 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -5.682 2.342 10.580 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -4.366 2.785 9.466 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.616 1.640 6.443 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.492 0.758 5.726 1.00 0.39 C ATOM 1188 C PHE A 78 -7.580 -0.555 6.495 1.00 0.36 C ATOM 1189 O PHE A 78 -6.754 -0.816 7.371 1.00 0.41 O ATOM 1190 CB PHE A 78 -7.019 0.516 4.283 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.628 1.762 3.535 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.576 2.722 3.210 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -5.314 1.968 3.153 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -7.215 3.864 2.520 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.947 3.108 2.463 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.900 4.058 2.147 1.00 0.84 C ATOM 0 H PHE A 78 -5.761 1.200 6.783 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.476 1.220 5.651 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.166 -0.163 4.303 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.814 0.012 3.733 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.606 2.575 3.499 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.566 1.229 3.397 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.961 4.604 2.273 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.918 3.256 2.171 1.00 0.78 H new ATOM 0 HZ PHE A 78 -5.616 4.951 1.609 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.576 -1.367 6.199 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.773 -2.609 6.931 1.00 0.37 C ATOM 1208 C LEU A 79 -8.100 -3.742 6.175 1.00 0.35 C ATOM 1209 O LEU A 79 -8.227 -3.838 4.954 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.271 -2.872 7.142 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.634 -4.058 8.046 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -11.982 -3.820 8.706 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.676 -5.357 7.252 1.00 1.09 C ATOM 0 H LEU A 79 -9.259 -1.193 5.462 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.318 -2.536 7.919 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.720 -1.972 7.562 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.731 -3.032 6.167 1.00 0.44 H new ATOM 0 HG LEU A 79 -9.865 -4.145 8.813 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.229 -4.668 9.345 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -11.937 -2.913 9.308 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.748 -3.708 7.939 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -10.935 -6.181 7.916 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.424 -5.277 6.463 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.698 -5.543 6.807 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.387 -4.597 6.893 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.588 -5.629 6.255 1.00 0.42 C ATOM 1227 C GLU A 80 -7.354 -6.935 6.192 1.00 0.40 C ATOM 1228 O GLU A 80 -7.900 -7.407 7.192 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.278 -5.851 7.014 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.387 -6.925 6.396 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.253 -7.355 7.306 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -3.532 -8.038 8.319 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.080 -7.034 7.006 1.00 2.07 O ATOM 0 H GLU A 80 -7.346 -4.596 7.912 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.362 -5.293 5.243 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.727 -4.912 7.052 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.507 -6.129 8.043 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.996 -7.795 6.148 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -3.972 -6.550 5.461 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.380 -7.508 5.006 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.038 -8.767 4.765 1.00 0.39 C ATOM 1242 C ARG A 81 -6.990 -9.791 4.399 1.00 0.48 C ATOM 1243 O ARG A 81 -6.197 -9.579 3.482 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.060 -8.642 3.634 1.00 0.56 C ATOM 1245 CG ARG A 81 -9.517 -9.988 3.096 1.00 0.76 C ATOM 1246 CD ARG A 81 -10.404 -9.837 1.878 1.00 1.34 C ATOM 1247 NE ARG A 81 -10.454 -11.073 1.103 1.00 2.05 N ATOM 1248 CZ ARG A 81 -11.081 -11.199 -0.061 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -11.848 -10.216 -0.514 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -10.972 -12.328 -0.753 1.00 3.75 N ATOM 0 H ARG A 81 -6.940 -7.106 4.178 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.571 -9.074 5.665 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -9.927 -8.088 3.994 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.625 -8.061 2.821 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -8.646 -10.591 2.839 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.058 -10.526 3.875 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.411 -9.560 2.191 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -10.031 -9.027 1.251 1.00 1.34 H new ATOM 0 HE ARG A 81 -9.977 -11.892 1.479 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -11.957 -9.361 0.032 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -12.329 -10.315 -1.408 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -10.408 -13.096 -0.390 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -11.453 -12.427 -1.647 1.00 3.75 H new ATOM 1264 N LEU A 82 -6.967 -10.884 5.117 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.010 -11.923 4.836 1.00 0.82 C ATOM 1266 C LEU A 82 -6.592 -12.952 3.894 1.00 0.66 C ATOM 1267 O LEU A 82 -7.499 -13.706 4.247 1.00 0.84 O ATOM 1268 CB LEU A 82 -5.520 -12.591 6.119 1.00 1.25 C ATOM 1269 CG LEU A 82 -4.591 -11.728 6.972 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -4.163 -12.479 8.221 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.373 -11.300 6.166 1.00 1.65 C ATOM 0 H LEU A 82 -7.596 -11.077 5.896 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.153 -11.456 4.351 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -6.385 -12.873 6.719 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.000 -13.512 5.857 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.136 -10.834 7.277 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -3.502 -11.849 8.816 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -5.043 -12.738 8.809 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -3.636 -13.390 7.935 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -2.722 -10.686 6.789 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -2.829 -12.183 5.833 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -3.695 -10.723 5.299 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.085 -12.937 2.681 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.325 -14.005 1.739 1.00 0.82 C ATOM 1285 C GLU A 83 -5.289 -15.070 2.055 1.00 1.29 C ATOM 1286 O GLU A 83 -4.090 -14.780 2.093 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.202 -13.468 0.304 1.00 1.39 C ATOM 1288 CG GLU A 83 -6.366 -14.510 -0.789 1.00 1.89 C ATOM 1289 CD GLU A 83 -7.617 -15.341 -0.633 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -8.716 -14.766 -0.731 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -7.512 -16.565 -0.407 1.00 2.36 O ATOM 0 H GLU A 83 -5.496 -12.186 2.322 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.328 -14.424 1.818 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -6.951 -12.690 0.158 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.226 -12.996 0.191 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -6.387 -14.011 -1.758 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -5.497 -15.168 -0.788 1.00 1.89 H new ATOM 1298 N GLU A 84 -5.716 -16.297 2.264 1.00 1.26 N ATOM 1299 CA GLU A 84 -4.907 -17.209 3.050 1.00 1.78 C ATOM 1300 C GLU A 84 -3.902 -17.953 2.197 1.00 1.46 C ATOM 1301 O GLU A 84 -4.239 -18.630 1.236 1.00 1.49 O ATOM 1302 CB GLU A 84 -5.789 -18.168 3.867 1.00 2.65 C ATOM 1303 CG GLU A 84 -7.116 -18.549 3.214 1.00 3.44 C ATOM 1304 CD GLU A 84 -6.992 -19.651 2.183 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -6.859 -20.828 2.581 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -7.055 -19.354 0.979 1.00 4.35 O ATOM 0 H GLU A 84 -6.593 -16.680 1.913 1.00 1.26 H new ATOM 0 HA GLU A 84 -4.332 -16.610 3.757 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -5.223 -19.079 4.061 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -5.997 -17.710 4.834 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -7.815 -18.865 3.989 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -7.544 -17.666 2.740 1.00 3.44 H new ATOM 1313 N ASN A 85 -2.637 -17.724 2.537 1.00 1.98 N ATOM 1314 CA ASN A 85 -1.495 -18.340 1.865 1.00 2.36 C ATOM 1315 C ASN A 85 -1.525 -18.026 0.386 1.00 1.83 C ATOM 1316 O ASN A 85 -0.956 -18.732 -0.446 1.00 2.36 O ATOM 1317 CB ASN A 85 -1.449 -19.856 2.113 1.00 3.24 C ATOM 1318 CG ASN A 85 -1.391 -20.202 3.590 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -0.317 -20.248 4.192 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -2.545 -20.462 4.185 1.00 4.33 N ATOM 0 H ASN A 85 -2.372 -17.097 3.297 1.00 1.98 H new ATOM 0 HA ASN A 85 -0.583 -17.918 2.287 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -2.329 -20.320 1.669 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -0.578 -20.277 1.610 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -2.564 -20.710 5.174 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -3.415 -20.414 3.654 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.214 -16.951 0.088 1.00 1.13 N ATOM 1328 CA HIS A 86 -2.313 -16.438 -1.252 1.00 1.29 C ATOM 1329 C HIS A 86 -1.771 -15.018 -1.335 1.00 1.07 C ATOM 1330 O HIS A 86 -0.754 -14.773 -1.982 1.00 1.43 O ATOM 1331 CB HIS A 86 -3.765 -16.469 -1.754 1.00 2.00 C ATOM 1332 CG HIS A 86 -4.334 -17.846 -1.920 1.00 2.54 C ATOM 1333 ND1 HIS A 86 -5.600 -18.198 -1.497 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -3.809 -18.956 -2.489 1.00 3.02 C ATOM 1335 CE1 HIS A 86 -5.824 -19.462 -1.798 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -4.754 -19.945 -2.400 1.00 3.81 N ATOM 0 H HIS A 86 -2.727 -16.403 0.779 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.710 -17.083 -1.891 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -4.390 -15.913 -1.055 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -3.817 -15.950 -2.711 1.00 2.00 H new ATOM 0 HD1 HIS A 86 -6.259 -17.578 -1.026 1.00 3.33 H new ATOM 0 HD2 HIS A 86 -2.828 -19.046 -2.931 1.00 3.02 H new ATOM 0 HE1 HIS A 86 -6.731 -20.010 -1.587 1.00 3.99 H new ATOM 1345 N TYR A 87 -2.436 -14.092 -0.646 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.181 -12.654 -0.831 1.00 0.49 C ATOM 1347 C TYR A 87 -2.696 -11.825 0.344 1.00 0.46 C ATOM 1348 O TYR A 87 -3.488 -12.294 1.153 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.853 -12.137 -2.116 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.159 -12.536 -3.400 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -0.965 -11.937 -3.780 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.701 -13.506 -4.235 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.330 -12.294 -4.954 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -2.071 -13.870 -5.409 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.886 -13.262 -5.764 1.00 2.70 C ATOM 1356 OH TYR A 87 -0.255 -13.627 -6.932 1.00 3.60 O ATOM 0 H TYR A 87 -3.155 -14.306 0.045 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.099 -12.542 -0.900 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.879 -12.503 -2.145 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -2.904 -11.049 -2.070 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.526 -11.180 -3.148 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.630 -13.983 -3.961 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.597 -11.817 -5.236 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -2.505 -14.627 -6.046 1.00 2.16 H new ATOM 0 HH TYR A 87 -0.778 -14.322 -7.383 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.214 -10.593 0.439 1.00 0.38 N ATOM 1367 CA ASN A 88 -2.762 -9.615 1.371 1.00 0.38 C ATOM 1368 C ASN A 88 -3.759 -8.738 0.637 1.00 0.34 C ATOM 1369 O ASN A 88 -3.546 -8.374 -0.518 1.00 0.36 O ATOM 1370 CB ASN A 88 -1.654 -8.745 1.974 1.00 0.43 C ATOM 1371 CG ASN A 88 -0.963 -9.386 3.166 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.880 -10.707 3.174 1.00 1.80 O flip ATOM 1373 ND2 ASN A 88 -0.498 -8.695 4.072 1.00 1.60 N flip ATOM 0 H ASN A 88 -1.438 -10.244 -0.123 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.255 -10.145 2.186 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -0.912 -8.531 1.205 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.079 -7.789 2.281 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -0.581 -7.679 4.032 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -0.030 -9.138 4.863 1.00 1.60 H new ATOM 1380 N THR A 89 -4.853 -8.429 1.293 1.00 0.36 N ATOM 1381 CA THR A 89 -5.874 -7.591 0.710 1.00 0.37 C ATOM 1382 C THR A 89 -6.118 -6.401 1.624 1.00 0.37 C ATOM 1383 O THR A 89 -5.782 -6.458 2.802 1.00 0.40 O ATOM 1384 CB THR A 89 -7.174 -8.391 0.515 1.00 0.44 C ATOM 1385 OG1 THR A 89 -6.863 -9.689 -0.008 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.114 -7.680 -0.445 1.00 0.49 C ATOM 0 H THR A 89 -5.060 -8.749 2.239 1.00 0.36 H new ATOM 0 HA THR A 89 -5.543 -7.238 -0.267 1.00 0.37 H new ATOM 0 HB THR A 89 -7.667 -8.482 1.483 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.691 -10.199 -0.131 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.024 -8.267 -0.565 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.366 -6.697 -0.047 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.627 -7.565 -1.413 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.666 -5.319 1.094 1.00 0.40 N ATOM 1395 CA TYR A 90 -6.939 -4.138 1.906 1.00 0.42 C ATOM 1396 C TYR A 90 -8.231 -3.466 1.463 1.00 0.38 C ATOM 1397 O TYR A 90 -8.471 -3.283 0.270 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.773 -3.142 1.829 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.458 -3.702 2.327 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.222 -3.867 3.685 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.461 -4.079 1.438 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.030 -4.394 4.142 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.266 -4.604 1.889 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.056 -4.760 3.239 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.870 -5.291 3.688 1.00 0.87 O ATOM 0 H TYR A 90 -6.930 -5.231 0.113 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.052 -4.462 2.941 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.651 -2.818 0.795 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.025 -2.256 2.413 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -4.983 -3.579 4.395 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.622 -3.960 0.377 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -2.862 -4.519 5.202 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.500 -4.891 1.184 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.293 -5.496 2.923 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.073 -3.115 2.425 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.309 -2.423 2.131 1.00 0.35 C ATOM 1417 C ILE A 91 -10.245 -1.006 2.693 1.00 0.36 C ATOM 1418 O ILE A 91 -9.578 -0.760 3.695 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.519 -3.197 2.706 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.781 -2.896 1.900 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -11.742 -2.867 4.174 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -13.990 -3.685 2.349 1.00 1.55 C ATOM 0 H ILE A 91 -8.918 -3.301 3.416 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.440 -2.366 1.050 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.297 -4.261 2.629 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.004 -1.832 1.975 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -12.589 -3.108 0.848 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.599 -3.427 4.547 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -10.855 -3.138 4.747 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -11.932 -1.799 4.282 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -14.848 -3.419 1.732 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -13.787 -4.751 2.248 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -14.208 -3.455 3.392 1.00 1.55 H new ATOM 1434 N SER A 92 -10.953 -0.093 2.066 1.00 0.36 N ATOM 1435 CA SER A 92 -10.896 1.309 2.438 1.00 0.40 C ATOM 1436 C SER A 92 -11.905 1.573 3.526 1.00 0.43 C ATOM 1437 O SER A 92 -13.099 1.745 3.275 1.00 0.53 O ATOM 1438 CB SER A 92 -11.169 2.189 1.219 1.00 0.47 C ATOM 1439 OG SER A 92 -10.938 3.549 1.520 1.00 1.33 O ATOM 0 H SER A 92 -11.581 -0.296 1.289 1.00 0.36 H new ATOM 0 HA SER A 92 -9.900 1.550 2.811 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.529 1.881 0.392 1.00 0.47 H new ATOM 0 HB3 SER A 92 -12.200 2.054 0.891 1.00 0.47 H new ATOM 0 HG SER A 92 -10.646 4.018 0.711 1.00 1.33 H new ATOM 1445 N LYS A 93 -11.403 1.578 4.756 1.00 0.44 N ATOM 1446 CA LYS A 93 -12.248 1.733 5.914 1.00 0.54 C ATOM 1447 C LYS A 93 -12.622 3.188 6.116 1.00 0.57 C ATOM 1448 O LYS A 93 -13.355 3.514 7.048 1.00 0.72 O ATOM 1449 CB LYS A 93 -11.586 1.150 7.168 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.290 1.832 7.582 1.00 0.84 C ATOM 1451 CD LYS A 93 -10.450 2.598 8.886 1.00 1.27 C ATOM 1452 CE LYS A 93 -11.032 1.715 9.978 1.00 1.20 C ATOM 1453 NZ LYS A 93 -11.029 2.383 11.304 1.00 1.58 N ATOM 0 H LYS A 93 -10.410 1.476 4.968 1.00 0.44 H new ATOM 0 HA LYS A 93 -13.165 1.171 5.738 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -12.292 1.210 7.996 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -11.385 0.092 6.997 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -9.505 1.084 7.693 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -9.971 2.515 6.795 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -9.482 2.984 9.205 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -11.099 3.459 8.727 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -12.053 1.440 9.714 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -10.459 0.790 10.038 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -11.598 1.827 11.974 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.052 2.455 11.654 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -11.435 3.336 11.213 1.00 1.58 H new ATOM 1467 N LYS A 94 -12.139 4.057 5.220 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.592 5.432 5.194 1.00 0.67 C ATOM 1469 C LYS A 94 -14.102 5.402 5.075 1.00 0.79 C ATOM 1470 O LYS A 94 -14.828 5.596 6.054 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.983 6.220 4.015 1.00 0.69 C ATOM 1472 CG LYS A 94 -12.557 7.619 3.859 1.00 1.21 C ATOM 1473 CD LYS A 94 -12.195 8.493 5.050 1.00 1.56 C ATOM 1474 CE LYS A 94 -12.950 9.813 5.046 1.00 2.00 C ATOM 1475 NZ LYS A 94 -14.404 9.629 5.299 1.00 2.32 N ATOM 0 H LYS A 94 -11.441 3.825 4.514 1.00 0.52 H new ATOM 0 HA LYS A 94 -12.273 5.939 6.105 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.904 6.292 4.155 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -12.148 5.663 3.093 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -12.178 8.071 2.943 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -13.641 7.562 3.761 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -12.413 7.955 5.973 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -11.123 8.690 5.041 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -12.531 10.472 5.807 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -12.810 10.307 4.085 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -14.840 10.550 5.506 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -14.853 9.215 4.457 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -14.537 8.993 6.111 1.00 2.32 H new ATOM 1489 N HIS A 95 -14.585 5.132 3.885 1.00 0.76 N ATOM 1490 CA HIS A 95 -16.014 4.951 3.727 1.00 0.96 C ATOM 1491 C HIS A 95 -16.385 3.459 3.726 1.00 1.01 C ATOM 1492 O HIS A 95 -17.225 3.005 2.949 1.00 1.23 O ATOM 1493 CB HIS A 95 -16.564 5.735 2.518 1.00 1.06 C ATOM 1494 CG HIS A 95 -16.508 5.049 1.194 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -17.314 5.165 0.120 1.00 1.55 N flip ATOM 1496 CD2 HIS A 95 -15.592 4.076 0.879 1.00 1.69 C flip ATOM 1497 CE1 HIS A 95 -16.879 4.265 -0.809 1.00 2.27 C flip ATOM 1498 NE2 HIS A 95 -15.838 3.622 -0.323 1.00 2.32 N flip ATOM 0 H HIS A 95 -14.032 5.034 3.034 1.00 0.76 H new ATOM 0 HA HIS A 95 -16.512 5.384 4.594 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -17.603 5.994 2.724 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.012 6.672 2.440 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -18.102 5.805 0.020 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -14.793 3.738 1.523 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -17.317 4.106 -1.783 1.00 2.27 H new ATOM 1507 N ALA A 96 -15.744 2.719 4.638 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.796 1.242 4.704 1.00 1.02 C ATOM 1509 C ALA A 96 -17.171 0.668 4.397 1.00 1.03 C ATOM 1510 O ALA A 96 -17.288 -0.318 3.668 1.00 1.05 O ATOM 1511 CB ALA A 96 -15.356 0.768 6.079 1.00 1.18 C ATOM 0 H ALA A 96 -15.162 3.131 5.367 1.00 0.94 H new ATOM 0 HA ALA A 96 -15.117 0.880 3.932 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -15.397 -0.320 6.119 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -14.335 1.100 6.269 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -16.020 1.184 6.837 1.00 1.18 H new ATOM 1517 N GLU A 97 -18.200 1.303 4.945 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.572 0.820 4.810 1.00 1.16 C ATOM 1519 C GLU A 97 -19.974 0.623 3.345 1.00 1.07 C ATOM 1520 O GLU A 97 -20.820 -0.214 3.035 1.00 1.18 O ATOM 1521 CB GLU A 97 -20.541 1.804 5.475 1.00 1.30 C ATOM 1522 CG GLU A 97 -22.008 1.419 5.332 1.00 2.04 C ATOM 1523 CD GLU A 97 -22.945 2.534 5.738 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -22.828 3.652 5.193 1.00 3.42 O ATOM 1525 OE2 GLU A 97 -23.797 2.302 6.625 1.00 3.22 O ATOM 0 H GLU A 97 -18.111 2.160 5.491 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.623 -0.150 5.304 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -20.297 1.879 6.535 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -20.392 2.794 5.043 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -22.207 1.141 4.297 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -22.210 0.539 5.943 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.361 1.380 2.439 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.809 1.371 1.047 1.00 0.88 C ATOM 1534 C LYS A 98 -19.081 0.318 0.207 1.00 0.83 C ATOM 1535 O LYS A 98 -19.343 0.194 -0.990 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.648 2.755 0.409 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.626 3.812 0.924 1.00 1.41 C ATOM 1538 CD LYS A 98 -20.321 4.240 2.354 1.00 1.98 C ATOM 1539 CE LYS A 98 -21.205 5.398 2.796 1.00 2.14 C ATOM 1540 NZ LYS A 98 -22.646 5.031 2.832 1.00 2.65 N ATOM 0 H LYS A 98 -18.571 1.994 2.635 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.866 1.107 1.063 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.631 3.105 0.584 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.772 2.660 -0.670 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -20.590 4.684 0.271 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -21.641 3.418 0.874 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -20.466 3.394 3.026 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -19.274 4.532 2.431 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -20.893 5.732 3.786 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -21.064 6.239 2.117 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -23.209 5.861 3.106 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -22.945 4.705 1.891 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -22.793 4.269 3.525 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.142 -0.400 0.823 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.626 -1.667 0.277 1.00 0.84 C ATOM 1556 C ASN A 99 -16.588 -1.475 -0.843 1.00 0.68 C ATOM 1557 O ASN A 99 -16.362 -2.383 -1.646 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.776 -2.575 -0.194 1.00 1.01 C ATOM 1559 CG ASN A 99 -18.350 -4.026 -0.371 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -17.436 -4.506 0.303 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -19.022 -4.740 -1.263 1.00 2.00 N ATOM 0 H ASN A 99 -17.716 -0.127 1.709 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.102 -2.156 1.098 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.590 -2.526 0.529 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -19.166 -2.198 -1.139 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -18.789 -5.722 -1.410 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -19.772 -4.307 -1.802 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.965 -0.303 -0.930 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.851 -0.138 -1.859 1.00 0.44 C ATOM 1570 C TRP A 100 -13.604 -0.776 -1.277 1.00 0.41 C ATOM 1571 O TRP A 100 -13.407 -0.781 -0.062 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.526 1.324 -2.147 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.443 2.050 -3.087 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.566 1.601 -3.721 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.279 3.408 -3.480 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.110 2.619 -4.482 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.328 3.742 -4.345 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.332 4.369 -3.165 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.448 5.023 -4.901 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.448 5.626 -3.705 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.489 5.950 -4.562 1.00 1.01 C ATOM 0 H TRP A 100 -16.203 0.526 -0.385 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.156 -0.614 -2.791 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.516 1.862 -1.199 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.516 1.374 -2.553 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -16.968 0.602 -3.640 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -17.953 2.549 -5.052 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.512 4.132 -2.503 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.260 5.272 -5.568 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.713 6.378 -3.457 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.548 6.948 -4.971 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.751 -1.269 -2.146 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.481 -1.836 -1.737 1.00 0.51 C ATOM 1594 C PHE A 101 -10.417 -0.786 -1.971 1.00 0.55 C ATOM 1595 O PHE A 101 -10.566 0.029 -2.865 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.145 -3.094 -2.547 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.117 -4.232 -2.384 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.408 -4.143 -2.881 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -11.725 -5.406 -1.761 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.288 -5.199 -2.759 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -12.604 -6.464 -1.631 1.00 0.79 C ATOM 1602 CZ PHE A 101 -13.888 -6.360 -2.133 1.00 0.77 C ATOM 0 H PHE A 101 -12.915 -1.290 -3.153 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.531 -2.124 -0.687 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.095 -2.826 -3.602 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.152 -3.439 -2.259 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.729 -3.235 -3.370 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -10.721 -5.495 -1.373 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.290 -5.116 -3.154 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.288 -7.371 -1.138 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.576 -7.187 -2.035 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.387 -0.736 -1.158 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.289 0.152 -1.476 1.00 0.55 C ATOM 1614 C VAL A 102 -7.210 -0.634 -2.208 1.00 0.50 C ATOM 1615 O VAL A 102 -6.611 -1.558 -1.661 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.710 0.850 -0.225 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -7.279 -0.161 0.824 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -6.551 1.760 -0.608 1.00 1.27 C ATOM 0 H VAL A 102 -9.284 -1.278 -0.300 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.670 0.946 -2.118 1.00 0.55 H new ATOM 0 HB VAL A 102 -8.499 1.462 0.212 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.876 0.363 1.691 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -8.138 -0.759 1.128 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.513 -0.814 0.407 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -6.157 2.243 0.286 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -5.765 1.169 -1.078 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.901 2.520 -1.306 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.003 -0.289 -3.462 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.019 -0.980 -4.257 1.00 0.61 C ATOM 1630 C GLY A 103 -5.190 -0.042 -5.077 1.00 0.54 C ATOM 1631 O GLY A 103 -5.592 1.078 -5.365 1.00 0.66 O ATOM 0 H GLY A 103 -7.500 0.459 -3.946 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.368 -1.559 -3.602 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.520 -1.689 -4.916 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.024 -0.485 -5.439 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.191 0.280 -6.326 1.00 0.50 C ATOM 1637 C LEU A 104 -2.646 -0.637 -7.384 1.00 0.59 C ATOM 1638 O LEU A 104 -2.372 -1.803 -7.096 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.046 0.951 -5.577 1.00 0.77 C ATOM 1640 CG LEU A 104 -0.707 0.231 -5.662 1.00 1.07 C ATOM 1641 CD1 LEU A 104 0.429 1.227 -5.550 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.593 -0.832 -4.585 1.00 1.27 C ATOM 0 H LEU A 104 -3.625 -1.373 -5.135 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.791 1.068 -6.780 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.922 1.962 -5.965 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.325 1.044 -4.527 1.00 0.77 H new ATOM 0 HG LEU A 104 -0.644 -0.265 -6.631 1.00 1.07 H new ATOM 0 HD11 LEU A 104 1.382 0.701 -5.612 1.00 1.62 H new ATOM 0 HD12 LEU A 104 0.360 1.950 -6.363 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.364 1.748 -4.595 1.00 1.62 H new ATOM 0 HD21 LEU A 104 0.372 -1.331 -4.668 1.00 1.27 H new ATOM 0 HD22 LEU A 104 -0.678 -0.366 -3.603 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.392 -1.563 -4.710 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.469 -0.173 -8.601 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.732 -1.025 -9.507 1.00 0.54 C ATOM 1656 C LYS A 105 -0.304 -0.541 -9.502 1.00 0.49 C ATOM 1657 O LYS A 105 0.073 0.322 -10.283 1.00 0.55 O ATOM 1658 CB LYS A 105 -2.345 -0.991 -10.915 1.00 0.70 C ATOM 1659 CG LYS A 105 -2.047 -2.233 -11.748 1.00 0.94 C ATOM 1660 CD LYS A 105 -0.648 -2.209 -12.344 1.00 1.55 C ATOM 1661 CE LYS A 105 -0.552 -1.246 -13.517 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.409 -1.672 -14.655 1.00 2.09 N ATOM 0 H LYS A 105 -2.797 0.721 -8.968 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.775 -2.066 -9.187 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.425 -0.874 -10.828 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.971 -0.113 -11.442 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -2.158 -3.120 -11.125 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.780 -2.313 -12.551 1.00 0.94 H new ATOM 0 HD2 LYS A 105 0.070 -1.920 -11.576 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.376 -3.212 -12.673 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -0.848 -0.248 -13.193 1.00 1.97 H new ATOM 0 HE3 LYS A 105 0.484 -1.179 -13.848 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.078 -1.215 -15.529 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -1.355 -2.705 -14.763 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -2.394 -1.394 -14.471 1.00 2.09 H new ATOM 1676 N LYS A 106 0.526 -1.207 -8.715 1.00 0.46 N ATOM 1677 CA LYS A 106 1.835 -0.662 -8.416 1.00 0.44 C ATOM 1678 C LYS A 106 2.763 -0.904 -9.564 1.00 0.44 C ATOM 1679 O LYS A 106 3.806 -0.272 -9.666 1.00 0.46 O ATOM 1680 CB LYS A 106 2.421 -1.208 -7.101 1.00 0.51 C ATOM 1681 CG LYS A 106 2.997 -2.611 -7.178 1.00 0.81 C ATOM 1682 CD LYS A 106 4.359 -2.646 -7.828 1.00 1.11 C ATOM 1683 CE LYS A 106 4.636 -4.001 -8.436 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.498 -5.090 -7.445 1.00 1.57 N ATOM 0 H LYS A 106 0.321 -2.107 -8.281 1.00 0.46 H new ATOM 0 HA LYS A 106 1.717 0.412 -8.272 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.204 -0.530 -6.763 1.00 0.51 H new ATOM 0 HB3 LYS A 106 1.639 -1.196 -6.342 1.00 0.51 H new ATOM 0 HG2 LYS A 106 3.068 -3.026 -6.173 1.00 0.81 H new ATOM 0 HG3 LYS A 106 2.315 -3.249 -7.739 1.00 0.81 H new ATOM 0 HD2 LYS A 106 4.417 -1.879 -8.600 1.00 1.11 H new ATOM 0 HD3 LYS A 106 5.125 -2.412 -7.088 1.00 1.11 H new ATOM 0 HE2 LYS A 106 3.949 -4.175 -9.264 1.00 1.02 H new ATOM 0 HE3 LYS A 106 5.644 -4.013 -8.851 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.111 -5.936 -7.910 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 5.431 -5.313 -7.042 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.856 -4.788 -6.685 1.00 1.57 H new ATOM 1698 N ASN A 107 2.411 -1.840 -10.436 1.00 0.50 N ATOM 1699 CA ASN A 107 3.249 -2.069 -11.589 1.00 0.56 C ATOM 1700 C ASN A 107 3.195 -0.813 -12.467 1.00 0.60 C ATOM 1701 O ASN A 107 3.994 -0.622 -13.379 1.00 0.70 O ATOM 1702 CB ASN A 107 2.753 -3.305 -12.361 1.00 0.67 C ATOM 1703 CG ASN A 107 3.246 -3.378 -13.799 1.00 1.47 C ATOM 1704 OD1 ASN A 107 2.584 -2.891 -14.713 1.00 2.40 O ATOM 1705 ND2 ASN A 107 4.401 -3.993 -14.012 1.00 1.84 N ATOM 0 H ASN A 107 1.581 -2.430 -10.367 1.00 0.50 H new ATOM 0 HA ASN A 107 4.279 -2.261 -11.287 1.00 0.56 H new ATOM 0 HB2 ASN A 107 3.073 -4.203 -11.832 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.663 -3.307 -12.361 1.00 0.67 H new ATOM 0 HD21 ASN A 107 4.768 -4.074 -14.960 1.00 1.84 H new ATOM 0 HD22 ASN A 107 4.922 -4.385 -13.228 1.00 1.84 H new ATOM 1712 N GLY A 108 2.259 0.065 -12.114 1.00 0.56 N ATOM 1713 CA GLY A 108 2.213 1.404 -12.644 1.00 0.65 C ATOM 1714 C GLY A 108 2.324 2.437 -11.539 1.00 0.60 C ATOM 1715 O GLY A 108 3.403 2.929 -11.206 1.00 0.71 O ATOM 0 H GLY A 108 1.514 -0.144 -11.450 1.00 0.56 H new ATOM 0 HA2 GLY A 108 3.025 1.543 -13.358 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.281 1.550 -13.189 1.00 0.65 H new ATOM 1719 N SER A 109 1.175 2.661 -10.919 1.00 0.53 N ATOM 1720 CA SER A 109 0.928 3.761 -10.003 1.00 0.64 C ATOM 1721 C SER A 109 -0.293 3.421 -9.144 1.00 0.54 C ATOM 1722 O SER A 109 -1.000 2.448 -9.415 1.00 0.54 O ATOM 1723 CB SER A 109 0.720 5.068 -10.777 1.00 0.93 C ATOM 1724 OG SER A 109 0.022 4.842 -11.992 1.00 1.50 O ATOM 0 H SER A 109 0.361 2.059 -11.045 1.00 0.53 H new ATOM 0 HA SER A 109 1.791 3.904 -9.353 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.163 5.773 -10.161 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.686 5.525 -10.990 1.00 0.93 H new ATOM 0 HG SER A 109 -0.098 5.693 -12.464 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.583 4.229 -8.147 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.558 3.855 -7.141 1.00 0.82 C ATOM 1732 C CYS A 110 -2.954 4.112 -7.702 1.00 0.66 C ATOM 1733 O CYS A 110 -3.175 5.075 -8.427 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.296 4.690 -5.886 1.00 1.35 C ATOM 1735 SG CYS A 110 -1.724 3.892 -4.320 1.00 2.32 S ATOM 0 H CYS A 110 -0.160 5.147 -8.010 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.481 2.800 -6.879 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.239 4.957 -5.862 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.858 5.621 -5.966 1.00 1.35 H new ATOM 0 HG CYS A 110 -1.455 4.697 -3.335 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.884 3.215 -7.391 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.036 3.019 -8.242 1.00 1.00 C ATOM 1743 C LYS A 111 -6.312 3.444 -7.563 1.00 0.75 C ATOM 1744 O LYS A 111 -6.514 3.273 -6.382 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.136 1.576 -8.739 1.00 2.13 C ATOM 1746 CG LYS A 111 -5.551 1.490 -10.203 1.00 2.53 C ATOM 1747 CD LYS A 111 -4.619 2.314 -11.087 1.00 2.18 C ATOM 1748 CE LYS A 111 -5.130 2.434 -12.517 1.00 3.01 C ATOM 1749 NZ LYS A 111 -4.969 1.173 -13.285 1.00 3.59 N ATOM 0 H LYS A 111 -3.857 2.621 -6.562 1.00 0.72 H new ATOM 0 HA LYS A 111 -4.895 3.660 -9.113 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -4.173 1.083 -8.608 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -5.858 1.034 -8.128 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -5.539 0.449 -10.527 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -6.575 1.847 -10.316 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -4.505 3.310 -10.660 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -3.630 1.855 -11.095 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -6.183 2.714 -12.501 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -4.595 3.236 -13.025 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -4.901 1.391 -14.300 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -4.103 0.687 -12.976 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -5.790 0.557 -13.117 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.193 3.914 -8.363 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.325 4.661 -7.905 1.00 1.36 C ATOM 1765 C ARG A 112 -9.563 3.791 -7.692 1.00 1.14 C ATOM 1766 O ARG A 112 -9.671 2.686 -8.234 1.00 1.79 O ATOM 1767 CB ARG A 112 -8.586 5.761 -8.930 1.00 2.63 C ATOM 1768 CG ARG A 112 -7.724 5.599 -10.177 1.00 3.07 C ATOM 1769 CD ARG A 112 -7.392 6.927 -10.837 1.00 4.09 C ATOM 1770 NE ARG A 112 -8.579 7.699 -11.192 1.00 4.81 N ATOM 1771 CZ ARG A 112 -8.532 8.884 -11.796 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -7.365 9.411 -12.153 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -9.656 9.540 -12.046 1.00 6.59 N ATOM 0 H ARG A 112 -7.156 3.794 -9.375 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.106 5.087 -6.926 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -9.638 5.750 -9.213 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.388 6.732 -8.477 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -6.798 5.089 -9.910 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -8.244 4.962 -10.893 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -6.770 7.516 -10.163 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -6.803 6.743 -11.735 1.00 4.09 H new ATOM 0 HE ARG A 112 -9.494 7.309 -10.965 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -6.499 8.907 -11.964 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -7.336 10.320 -12.616 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -10.553 9.136 -11.776 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -9.624 10.448 -12.509 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.518 4.359 -6.958 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.614 3.612 -6.365 1.00 0.76 C ATOM 1789 C GLY A 113 -12.596 2.989 -7.352 1.00 0.77 C ATOM 1790 O GLY A 113 -13.105 1.902 -7.076 1.00 0.80 O ATOM 0 H GLY A 113 -10.549 5.359 -6.759 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.196 2.818 -5.746 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -12.166 4.277 -5.701 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.912 3.623 -8.505 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.799 3.015 -9.507 1.00 1.07 C ATOM 1796 C PRO A 114 -13.387 1.595 -9.926 1.00 0.90 C ATOM 1797 O PRO A 114 -14.211 0.838 -10.437 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.697 3.969 -10.697 1.00 1.40 C ATOM 1799 CG PRO A 114 -13.374 5.286 -10.089 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.506 4.988 -8.901 1.00 1.03 C ATOM 0 HA PRO A 114 -14.807 2.893 -9.110 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -12.921 3.653 -11.394 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.632 4.008 -11.256 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -12.855 5.928 -10.801 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -14.281 5.811 -9.789 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.447 5.033 -9.157 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.670 5.704 -8.096 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.119 1.221 -9.720 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.662 -0.098 -10.113 1.00 0.74 C ATOM 1810 C ARG A 115 -11.005 -0.820 -8.941 1.00 0.69 C ATOM 1811 O ARG A 115 -10.306 -1.818 -9.134 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.691 -0.023 -11.300 1.00 0.96 C ATOM 1813 CG ARG A 115 -11.291 0.572 -12.567 1.00 1.39 C ATOM 1814 CD ARG A 115 -11.245 2.093 -12.551 1.00 1.63 C ATOM 1815 NE ARG A 115 -12.030 2.684 -13.633 1.00 1.81 N ATOM 1816 CZ ARG A 115 -11.794 3.888 -14.154 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -10.753 4.606 -13.744 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -12.596 4.364 -15.095 1.00 2.62 N ATOM 0 H ARG A 115 -11.407 1.810 -9.289 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.538 -0.666 -10.425 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.825 0.572 -11.009 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.328 -1.027 -11.521 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -10.748 0.201 -13.436 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -12.324 0.240 -12.671 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -11.620 2.455 -11.594 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -10.210 2.424 -12.634 1.00 1.63 H new ATOM 0 HE ARG A 115 -12.806 2.142 -14.013 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -10.129 4.236 -13.027 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -10.578 5.527 -14.147 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -13.389 3.810 -15.417 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -12.420 5.285 -15.497 1.00 2.62 H new ATOM 1832 N THR A 116 -11.226 -0.320 -7.729 1.00 0.61 N ATOM 1833 CA THR A 116 -10.738 -0.986 -6.543 1.00 0.75 C ATOM 1834 C THR A 116 -11.851 -1.814 -5.901 1.00 0.85 C ATOM 1835 O THR A 116 -12.705 -1.327 -5.159 1.00 1.23 O ATOM 1836 CB THR A 116 -10.146 0.002 -5.551 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.076 1.045 -5.279 1.00 0.93 O ATOM 1838 CG2 THR A 116 -8.846 0.586 -6.075 1.00 1.13 C ATOM 0 H THR A 116 -11.740 0.543 -7.550 1.00 0.61 H new ATOM 0 HA THR A 116 -9.936 -1.661 -6.842 1.00 0.75 H new ATOM 0 HB THR A 116 -9.932 -0.534 -4.626 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.289 1.052 -4.323 1.00 0.93 H new ATOM 0 HG21 THR A 116 -8.443 1.290 -5.346 1.00 1.13 H new ATOM 0 HG22 THR A 116 -8.127 -0.216 -6.240 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.033 1.105 -7.015 1.00 1.13 H new ATOM 1846 N HIS A 117 -11.784 -3.080 -6.228 1.00 0.70 N ATOM 1847 CA HIS A 117 -12.829 -4.067 -6.083 1.00 0.77 C ATOM 1848 C HIS A 117 -12.357 -5.072 -7.083 1.00 0.68 C ATOM 1849 O HIS A 117 -11.266 -4.850 -7.626 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.247 -3.535 -6.402 1.00 0.89 C ATOM 1851 CG HIS A 117 -14.454 -3.038 -7.805 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -15.025 -3.802 -8.800 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -14.186 -1.837 -8.366 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -15.094 -3.092 -9.910 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -14.592 -1.895 -9.674 1.00 2.85 N ATOM 0 H HIS A 117 -10.937 -3.479 -6.632 1.00 0.70 H new ATOM 0 HA HIS A 117 -12.957 -4.436 -5.066 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -14.966 -4.331 -6.208 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.475 -2.724 -5.711 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -13.735 -0.988 -7.874 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -15.494 -3.433 -10.853 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -14.518 -1.137 -10.353 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.032 -6.150 -7.387 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.393 -6.979 -8.370 1.00 0.69 C ATOM 1866 C TYR A 118 -12.762 -6.443 -9.736 1.00 0.68 C ATOM 1867 O TYR A 118 -13.694 -6.895 -10.398 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.809 -8.435 -8.250 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.789 -8.983 -6.843 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -11.628 -9.524 -6.310 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -13.923 -8.944 -6.045 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -11.597 -10.015 -5.024 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -13.900 -9.432 -4.753 1.00 3.13 C ATOM 1874 CZ TYR A 118 -12.768 -10.012 -4.267 1.00 3.19 C ATOM 1875 OH TYR A 118 -12.701 -10.452 -2.966 1.00 4.11 O ATOM 0 H TYR A 118 -13.931 -6.453 -7.014 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.315 -6.949 -8.214 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.815 -8.546 -8.654 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -12.148 -9.040 -8.870 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -10.733 -9.561 -6.914 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -14.837 -8.526 -6.440 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -10.677 -10.398 -4.607 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -14.778 -9.354 -4.129 1.00 3.13 H new ATOM 0 HH TYR A 118 -13.497 -10.986 -2.760 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.002 -5.421 -10.097 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.925 -4.906 -11.433 1.00 0.65 C ATOM 1887 C GLY A 119 -10.555 -5.185 -11.986 1.00 0.65 C ATOM 1888 O GLY A 119 -10.366 -5.497 -13.160 1.00 0.73 O ATOM 0 H GLY A 119 -11.407 -4.919 -9.438 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.686 -5.370 -12.060 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.121 -3.834 -11.435 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.600 -5.070 -11.067 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.186 -5.074 -11.364 1.00 0.64 C ATOM 1894 C GLN A 120 -7.436 -5.939 -10.365 1.00 0.62 C ATOM 1895 O GLN A 120 -7.860 -6.090 -9.217 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.649 -3.646 -11.257 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.838 -2.806 -12.505 1.00 1.05 C ATOM 1898 CD GLN A 120 -7.476 -1.354 -12.267 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -7.017 -0.656 -13.167 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -7.689 -0.885 -11.046 1.00 2.13 N ATOM 0 H GLN A 120 -9.802 -4.969 -10.072 1.00 0.60 H new ATOM 0 HA GLN A 120 -8.042 -5.470 -12.369 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.141 -3.148 -10.422 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.586 -3.688 -11.021 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -7.222 -3.207 -13.310 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -8.875 -2.873 -12.834 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -8.072 -1.496 -10.325 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -7.470 0.087 -10.828 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.299 -6.470 -10.792 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.399 -7.173 -9.886 1.00 0.78 C ATOM 1911 C LYS A 121 -4.574 -6.172 -9.090 1.00 0.70 C ATOM 1912 O LYS A 121 -3.555 -6.515 -8.497 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.465 -8.127 -10.642 1.00 1.06 C ATOM 1914 CG LYS A 121 -5.057 -9.500 -10.935 1.00 1.43 C ATOM 1915 CD LYS A 121 -6.186 -9.450 -11.950 1.00 1.94 C ATOM 1916 CE LYS A 121 -6.696 -10.847 -12.261 1.00 2.28 C ATOM 1917 NZ LYS A 121 -7.716 -10.844 -13.337 1.00 2.85 N ATOM 0 H LYS A 121 -5.977 -6.428 -11.759 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.011 -7.768 -9.208 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -4.178 -7.661 -11.585 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -3.552 -8.257 -10.060 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -4.271 -10.158 -11.305 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -5.428 -9.936 -10.007 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -7.001 -8.838 -11.564 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -5.836 -8.974 -12.866 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -5.859 -11.480 -12.557 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -7.123 -11.285 -11.359 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -8.035 -11.818 -13.516 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -8.527 -10.262 -13.045 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -7.302 -10.450 -14.206 1.00 2.85 H new ATOM 1931 N ALA A 122 -5.035 -4.930 -9.091 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.464 -3.881 -8.264 1.00 0.72 C ATOM 1933 C ALA A 122 -4.789 -4.148 -6.800 1.00 0.54 C ATOM 1934 O ALA A 122 -4.315 -3.462 -5.897 1.00 0.59 O ATOM 1935 CB ALA A 122 -5.023 -2.536 -8.696 1.00 0.92 C ATOM 0 H ALA A 122 -5.818 -4.622 -9.668 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.381 -3.868 -8.384 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -4.595 -1.748 -8.076 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -4.768 -2.355 -9.740 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -6.107 -2.539 -8.582 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.643 -5.134 -6.596 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.052 -5.559 -5.271 1.00 0.44 C ATOM 1943 C ILE A 123 -5.158 -6.701 -4.746 1.00 0.40 C ATOM 1944 O ILE A 123 -5.338 -7.176 -3.622 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.535 -6.013 -5.312 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.404 -4.935 -5.970 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.066 -6.326 -3.918 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -8.388 -3.605 -5.245 1.00 1.37 C ATOM 0 H ILE A 123 -6.075 -5.666 -7.351 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.945 -4.716 -4.588 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.582 -6.927 -5.904 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -8.063 -4.783 -6.994 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.431 -5.295 -6.026 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.107 -6.640 -3.987 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.474 -7.127 -3.474 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.997 -5.435 -3.294 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -9.026 -2.896 -5.772 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.758 -3.740 -4.229 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -7.369 -3.221 -5.212 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.168 -7.131 -5.538 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.327 -8.256 -5.126 1.00 0.43 C ATOM 1962 C LEU A 124 -2.040 -7.774 -4.468 1.00 0.37 C ATOM 1963 O LEU A 124 -1.004 -7.628 -5.129 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.004 -9.169 -6.313 1.00 0.63 C ATOM 1965 CG LEU A 124 -4.199 -9.912 -6.914 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -3.734 -10.889 -7.981 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -4.982 -10.638 -5.830 1.00 1.83 C ATOM 0 H LEU A 124 -3.935 -6.727 -6.445 1.00 0.38 H new ATOM 0 HA LEU A 124 -3.892 -8.831 -4.392 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -2.540 -8.569 -7.096 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.264 -9.903 -5.994 1.00 0.63 H new ATOM 0 HG LEU A 124 -4.859 -9.180 -7.379 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -4.596 -11.409 -8.398 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -3.220 -10.345 -8.773 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -3.052 -11.615 -7.538 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -5.827 -11.160 -6.279 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -4.333 -11.359 -5.333 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -5.348 -9.916 -5.100 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.096 -7.570 -3.155 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.986 -6.991 -2.426 1.00 0.45 C ATOM 1981 C PHE A 125 -0.104 -8.059 -1.801 1.00 0.36 C ATOM 1982 O PHE A 125 -0.583 -9.067 -1.273 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.501 -6.085 -1.310 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.319 -4.918 -1.771 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.684 -5.042 -1.950 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -1.717 -3.702 -2.044 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.435 -3.974 -2.392 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -2.463 -2.631 -2.483 1.00 1.05 C ATOM 1989 CZ PHE A 125 -3.840 -2.751 -2.589 1.00 0.85 C ATOM 0 H PHE A 125 -2.905 -7.800 -2.577 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.398 -6.419 -3.144 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.102 -6.683 -0.625 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.648 -5.711 -0.743 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -4.167 -5.985 -1.741 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -0.651 -3.592 -1.911 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.491 -4.098 -2.583 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -1.978 -1.702 -2.743 1.00 1.05 H new ATOM 0 HZ PHE A 125 -4.443 -1.887 -2.825 1.00 0.85 H new ATOM 1999 N LEU A 126 1.189 -7.823 -1.881 1.00 0.36 N ATOM 2000 CA LEU A 126 2.172 -8.654 -1.222 1.00 0.49 C ATOM 2001 C LEU A 126 3.188 -7.736 -0.548 1.00 0.48 C ATOM 2002 O LEU A 126 3.868 -6.954 -1.219 1.00 0.49 O ATOM 2003 CB LEU A 126 2.852 -9.584 -2.241 1.00 0.68 C ATOM 2004 CG LEU A 126 3.371 -10.921 -1.690 1.00 1.22 C ATOM 2005 CD1 LEU A 126 4.513 -10.711 -0.710 1.00 1.98 C ATOM 2006 CD2 LEU A 126 2.240 -11.698 -1.030 1.00 1.96 C ATOM 0 H LEU A 126 1.588 -7.046 -2.407 1.00 0.36 H new ATOM 0 HA LEU A 126 1.698 -9.287 -0.472 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.142 -9.794 -3.041 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.689 -9.049 -2.690 1.00 0.68 H new ATOM 0 HG LEU A 126 3.754 -11.502 -2.529 1.00 1.22 H new ATOM 0 HD11 LEU A 126 4.857 -11.677 -0.339 1.00 1.98 H new ATOM 0 HD12 LEU A 126 5.335 -10.202 -1.213 1.00 1.98 H new ATOM 0 HD13 LEU A 126 4.168 -10.103 0.126 1.00 1.98 H new ATOM 0 HD21 LEU A 126 2.624 -12.643 -0.645 1.00 1.96 H new ATOM 0 HD22 LEU A 126 1.827 -11.112 -0.209 1.00 1.96 H new ATOM 0 HD23 LEU A 126 1.458 -11.896 -1.763 1.00 1.96 H new ATOM 2018 N PRO A 127 3.294 -7.797 0.782 1.00 0.54 N ATOM 2019 CA PRO A 127 4.189 -6.952 1.540 1.00 0.55 C ATOM 2020 C PRO A 127 5.425 -7.700 2.028 1.00 0.53 C ATOM 2021 O PRO A 127 5.357 -8.528 2.941 1.00 0.66 O ATOM 2022 CB PRO A 127 3.301 -6.565 2.725 1.00 0.72 C ATOM 2023 CG PRO A 127 2.340 -7.715 2.897 1.00 0.81 C ATOM 2024 CD PRO A 127 2.481 -8.612 1.682 1.00 0.68 C ATOM 0 HA PRO A 127 4.584 -6.117 0.961 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.894 -6.410 3.626 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.769 -5.634 2.530 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.563 -8.268 3.810 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.317 -7.350 2.987 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.969 -9.555 1.928 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.513 -8.858 1.244 1.00 0.68 H new ATOM 2032 N LEU A 128 6.555 -7.403 1.411 1.00 0.44 N ATOM 2033 CA LEU A 128 7.809 -8.040 1.777 1.00 0.46 C ATOM 2034 C LEU A 128 8.677 -7.075 2.567 1.00 0.39 C ATOM 2035 O LEU A 128 9.040 -6.011 2.071 1.00 0.39 O ATOM 2036 CB LEU A 128 8.560 -8.527 0.534 1.00 0.56 C ATOM 2037 CG LEU A 128 7.933 -9.729 -0.175 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.726 -10.080 -1.423 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.864 -10.926 0.765 1.00 1.47 C ATOM 0 H LEU A 128 6.631 -6.724 0.653 1.00 0.44 H new ATOM 0 HA LEU A 128 7.581 -8.905 2.399 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.630 -7.702 -0.175 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.579 -8.786 0.823 1.00 0.56 H new ATOM 0 HG LEU A 128 6.918 -9.465 -0.472 1.00 0.98 H new ATOM 0 HD11 LEU A 128 8.268 -10.937 -1.916 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.729 -9.229 -2.103 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.751 -10.327 -1.146 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.415 -11.772 0.244 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.870 -11.192 1.090 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.257 -10.672 1.634 1.00 1.47 H new ATOM 2051 N PRO A 129 9.007 -7.427 3.811 1.00 0.41 N ATOM 2052 CA PRO A 129 9.842 -6.593 4.662 1.00 0.40 C ATOM 2053 C PRO A 129 11.326 -6.846 4.412 1.00 0.48 C ATOM 2054 O PRO A 129 11.722 -7.937 3.993 1.00 0.55 O ATOM 2055 CB PRO A 129 9.430 -7.039 6.061 1.00 0.48 C ATOM 2056 CG PRO A 129 9.084 -8.484 5.909 1.00 0.68 C ATOM 2057 CD PRO A 129 8.584 -8.661 4.496 1.00 0.53 C ATOM 0 HA PRO A 129 9.709 -5.525 4.487 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.240 -6.898 6.777 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.579 -6.464 6.426 1.00 0.48 H new ATOM 0 HG2 PRO A 129 9.955 -9.113 6.093 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.321 -8.778 6.630 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.016 -9.546 4.028 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.501 -8.782 4.468 1.00 0.53 H new ATOM 2065 N VAL A 130 12.139 -5.834 4.668 1.00 0.56 N ATOM 2066 CA VAL A 130 13.560 -5.909 4.362 1.00 0.76 C ATOM 2067 C VAL A 130 14.276 -6.726 5.425 1.00 0.97 C ATOM 2068 O VAL A 130 13.880 -6.733 6.592 1.00 1.03 O ATOM 2069 CB VAL A 130 14.208 -4.510 4.268 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.589 -4.584 3.631 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.314 -3.544 3.503 1.00 1.36 C ATOM 0 H VAL A 130 11.841 -4.952 5.086 1.00 0.56 H new ATOM 0 HA VAL A 130 13.658 -6.390 3.389 1.00 0.76 H new ATOM 0 HB VAL A 130 14.326 -4.132 5.284 1.00 0.93 H new ATOM 0 HG11 VAL A 130 16.020 -3.584 3.579 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.233 -5.225 4.232 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.504 -4.996 2.625 1.00 1.43 H new ATOM 0 HG21 VAL A 130 13.794 -2.567 3.452 1.00 1.36 H new ATOM 0 HG22 VAL A 130 13.150 -3.921 2.494 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.356 -3.451 4.015 1.00 1.36 H new ATOM 2081 N SER A 131 15.325 -7.410 5.021 1.00 1.27 N ATOM 2082 CA SER A 131 16.048 -8.276 5.924 1.00 1.65 C ATOM 2083 C SER A 131 17.249 -7.540 6.497 1.00 1.86 C ATOM 2084 O SER A 131 18.095 -7.034 5.757 1.00 1.88 O ATOM 2085 CB SER A 131 16.495 -9.542 5.190 1.00 2.07 C ATOM 2086 OG SER A 131 16.781 -10.594 6.099 1.00 2.32 O ATOM 0 H SER A 131 15.696 -7.382 4.071 1.00 1.27 H new ATOM 0 HA SER A 131 15.392 -8.565 6.745 1.00 1.65 H new ATOM 0 HB2 SER A 131 15.714 -9.859 4.499 1.00 2.07 H new ATOM 0 HB3 SER A 131 17.380 -9.325 4.593 1.00 2.07 H new ATOM 0 HG SER A 131 17.062 -11.390 5.601 1.00 2.32 H new ATOM 2092 N SER A 132 17.309 -7.477 7.814 1.00 2.21 N ATOM 2093 CA SER A 132 18.412 -6.840 8.510 1.00 2.54 C ATOM 2094 C SER A 132 18.830 -7.701 9.690 1.00 3.02 C ATOM 2095 O SER A 132 18.222 -7.644 10.760 1.00 3.59 O ATOM 2096 CB SER A 132 18.010 -5.443 8.991 1.00 2.98 C ATOM 2097 OG SER A 132 17.601 -4.619 7.909 1.00 2.97 O ATOM 0 H SER A 132 16.596 -7.865 8.431 1.00 2.21 H new ATOM 0 HA SER A 132 19.252 -6.735 7.823 1.00 2.54 H new ATOM 0 HB2 SER A 132 17.199 -5.525 9.714 1.00 2.98 H new ATOM 0 HB3 SER A 132 18.851 -4.978 9.506 1.00 2.98 H new ATOM 0 HG SER A 132 18.337 -4.023 7.655 1.00 2.97 H new ATOM 2103 N ASP A 133 19.843 -8.524 9.480 1.00 3.06 N ATOM 2104 CA ASP A 133 20.330 -9.409 10.522 1.00 3.74 C ATOM 2105 C ASP A 133 21.840 -9.295 10.637 1.00 3.96 C ATOM 2106 O ASP A 133 22.311 -8.499 11.474 1.00 4.33 O ATOM 2107 CB ASP A 133 19.927 -10.861 10.243 1.00 3.99 C ATOM 2108 CG ASP A 133 18.428 -11.073 10.285 1.00 4.66 C ATOM 2109 OD1 ASP A 133 17.823 -10.862 11.358 1.00 5.12 O ATOM 2110 OD2 ASP A 133 17.849 -11.469 9.252 1.00 5.00 O ATOM 2111 OXT ASP A 133 22.551 -9.986 9.880 1.00 4.10 O ATOM 0 H ASP A 133 20.345 -8.597 8.595 1.00 3.06 H new ATOM 0 HA ASP A 133 19.877 -9.108 11.466 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.304 -11.156 9.264 1.00 3.99 H new ATOM 0 HB3 ASP A 133 20.402 -11.512 10.977 1.00 3.99 H new TER 2116 ASP A 133