USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 THR OG1 : rot 172:sc= 2.25 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -155:sc= 2.97 (180deg=0.405) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.572 K(o=1.3,f=-13!) USER MOD Set 2.2: A 105 LYS NZ :NH3+ 170:sc= 0.737 (180deg=0) USER MOD Set 3.1: A 87 TYR OH : rot 180:sc= 0.553 USER MOD Set 3.2: A 89 THR OG1 : rot -107:sc= 0.41 USER MOD Set 4.1: A 85 ASN : amide:sc= -0.588 K(o=-2.2,f=-5.6) USER MOD Set 4.2: A 86 HIS : no HE2:sc= -1.57 K(o=-2.2,f=-4.7) USER MOD Set 5.1: A 48 TYR OH : rot 110:sc= 0.198 USER MOD Set 5.2: A 57 TYR OH : rot -178:sc= 0.496 USER MOD Set 5.3: A 76 CYS SG : rot 63:sc= 0.986 USER MOD Set 6.1: A 34 HIS : no HE2:sc= -0.523 K(o=0.43,f=-13!) USER MOD Set 6.2: A 52 THR OG1 : rot -38:sc= 0.954 USER MOD Set 7.1: A 36 GLN : amide:sc= 0.231 X(o=1.9,f=1.7) USER MOD Set 7.2: A 38 GLN : amide:sc= 0.229! C(o=1.9!,f=-14!) USER MOD Set 7.3: A 50 LYS NZ :NH3+ 151:sc= 1.44 (180deg=0.897) USER MOD Set 8.1: A 40 SER OG : rot 140:sc= 2.03 USER MOD Set 8.2: A 132 SER OG : rot 22:sc= 1.16 USER MOD Set 9.1: A 33 GLN : amide:sc= -1.2! C(o=-0.42!,f=-6.9!) USER MOD Set 9.2: A 51 SER OG : rot 70:sc= 0.78 USER MOD Set10.1: A 8 TYR OH : rot -129:sc= 1.09 USER MOD Set10.2: A 14 HIS :FLIP no HD1:sc= -0.24 F(o=0.14,f=0.85) USER MOD Set11.1: A 1 TYR OH : rot -15:sc= 1.03 USER MOD Set11.2: A 2 LYS NZ :NH3+ 167:sc= 0.97 (180deg=-0.278) USER MOD Single : A 1 TYR N :NH3+ -144:sc= 0.329 (180deg=0.0186) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0392) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 1.13 (180deg=0.814) USER MOD Single : A 9 CYS SG : rot -170:sc= 0 USER MOD Single : A 10 SER OG : rot 160:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 27 THR OG1 : rot -70:sc= -2.16 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -129:sc= 1.3 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.1!) USER MOD Single : A 60 MET CE :methyl 160:sc= -2.73 (180deg=-3.13) 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 -42:sc= 0.896 USER MOD Single : A 70 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.4) USER MOD Single : A 71 THR OG1 : rot -26:sc= 0.561 USER MOD Single : A 73 ASN : amide:sc= -0.405 K(o=-0.41,f=-4.9!) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.658 F(o=-4.7!,f=-0.66) USER MOD Single : A 90 TYR OH : rot 17:sc= 1.2 USER MOD Single : A 92 SER OG : rot -118:sc= 0.995 USER MOD Single : A 93 LYS NZ :NH3+ -153:sc= 1.12 (180deg=0.976) USER MOD Single : A 94 LYS NZ :NH3+ -116:sc= 1.97 (180deg=-1.46!) USER MOD Single : A 95 HIS : no HD1:sc= 0.845 K(o=0.85,f=-6.6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.138 K(o=-0.14,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.078) USER MOD Single : A 109 SER OG : rot 58:sc= 1.26 USER MOD Single : A 110 CYS SG : rot 138:sc= -0.538 USER MOD Single : A 111 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.14) USER MOD Single : A 117 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.2) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0257 K(o=-0.026,f=-0.96) USER MOD Single : A 131 SER OG : rot -93:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.807 -1.386 -9.788 1.00 0.54 N ATOM 2 CA TYR A 1 14.687 -2.168 -9.206 1.00 0.51 C ATOM 3 C TYR A 1 14.138 -1.510 -7.931 1.00 0.43 C ATOM 4 O TYR A 1 12.922 -1.479 -7.726 1.00 0.59 O ATOM 5 CB TYR A 1 15.124 -3.615 -8.905 1.00 0.57 C ATOM 6 CG TYR A 1 16.127 -3.747 -7.774 1.00 0.55 C ATOM 7 CD1 TYR A 1 17.491 -3.586 -7.996 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.703 -4.027 -6.482 1.00 0.53 C ATOM 9 CE1 TYR A 1 18.400 -3.703 -6.963 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.608 -4.141 -5.446 1.00 0.65 C ATOM 11 CZ TYR A 1 17.954 -3.979 -5.692 1.00 0.85 C ATOM 12 OH TYR A 1 18.858 -4.075 -4.655 1.00 1.08 O ATOM 0 H1 TYR A 1 15.761 -1.433 -10.826 1.00 0.54 H new ATOM 0 H2 TYR A 1 15.733 -0.394 -9.483 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.712 -1.782 -9.463 1.00 0.54 H new ATOM 0 HA TYR A 1 13.889 -2.187 -9.948 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.240 -4.205 -8.661 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.555 -4.046 -9.808 1.00 0.57 H new ATOM 0 HD1 TYR A 1 17.845 -3.366 -8.992 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.649 -4.158 -6.285 1.00 0.53 H new ATOM 0 HE1 TYR A 1 19.456 -3.578 -7.153 1.00 0.93 H new ATOM 0 HE2 TYR A 1 16.262 -4.356 -4.446 1.00 0.65 H new ATOM 0 HH TYR A 1 19.764 -4.162 -5.018 1.00 1.08 H new ATOM 24 N LYS A 2 15.021 -0.990 -7.071 1.00 0.35 N ATOM 25 CA LYS A 2 14.584 -0.342 -5.835 1.00 0.39 C ATOM 26 C LYS A 2 14.937 1.143 -5.858 1.00 0.34 C ATOM 27 O LYS A 2 16.058 1.522 -6.202 1.00 0.48 O ATOM 28 CB LYS A 2 15.182 -1.034 -4.592 1.00 0.54 C ATOM 29 CG LYS A 2 16.505 -0.461 -4.090 1.00 0.73 C ATOM 30 CD LYS A 2 17.660 -0.780 -5.030 1.00 1.05 C ATOM 31 CE LYS A 2 19.001 -0.770 -4.304 1.00 1.15 C ATOM 32 NZ LYS A 2 19.139 -1.904 -3.351 1.00 1.40 N ATOM 0 H LYS A 2 16.032 -1.006 -7.208 1.00 0.35 H new ATOM 0 HA LYS A 2 13.500 -0.438 -5.770 1.00 0.39 H new ATOM 0 HB2 LYS A 2 14.453 -0.981 -3.783 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.328 -2.090 -4.821 1.00 0.54 H new ATOM 0 HG2 LYS A 2 16.414 0.620 -3.982 1.00 0.73 H new ATOM 0 HG3 LYS A 2 16.722 -0.863 -3.100 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.500 -1.758 -5.484 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.680 -0.052 -5.841 1.00 1.05 H new ATOM 0 HE2 LYS A 2 19.808 -0.814 -5.036 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.112 0.170 -3.764 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.131 -1.985 -3.049 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 18.537 -1.734 -2.520 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 18.846 -2.786 -3.817 1.00 1.40 H new ATOM 46 N LYS A 3 13.968 1.973 -5.500 1.00 0.28 N ATOM 47 CA LYS A 3 14.145 3.417 -5.478 1.00 0.26 C ATOM 48 C LYS A 3 13.080 4.056 -4.595 1.00 0.26 C ATOM 49 O LYS A 3 12.081 3.410 -4.274 1.00 0.29 O ATOM 50 CB LYS A 3 14.050 3.981 -6.899 1.00 0.30 C ATOM 51 CG LYS A 3 15.392 4.332 -7.515 1.00 0.49 C ATOM 52 CD LYS A 3 15.231 4.811 -8.949 1.00 0.55 C ATOM 53 CE LYS A 3 16.516 5.416 -9.488 1.00 0.78 C ATOM 54 NZ LYS A 3 17.649 4.455 -9.444 1.00 1.18 N ATOM 0 H LYS A 3 13.038 1.664 -5.217 1.00 0.28 H new ATOM 0 HA LYS A 3 15.130 3.646 -5.072 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.549 3.252 -7.536 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.424 4.873 -6.884 1.00 0.30 H new ATOM 0 HG2 LYS A 3 15.875 5.108 -6.922 1.00 0.49 H new ATOM 0 HG3 LYS A 3 16.045 3.460 -7.491 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.930 3.975 -9.580 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.432 5.551 -8.998 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.359 5.743 -10.516 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.770 6.302 -8.907 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.472 4.867 -9.928 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.895 4.253 -8.454 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 17.374 3.572 -9.920 1.00 1.18 H new ATOM 68 N PRO A 4 13.284 5.318 -4.176 1.00 0.28 N ATOM 69 CA PRO A 4 12.322 6.037 -3.334 1.00 0.30 C ATOM 70 C PRO A 4 10.927 6.031 -3.952 1.00 0.27 C ATOM 71 O PRO A 4 10.636 6.806 -4.865 1.00 0.35 O ATOM 72 CB PRO A 4 12.886 7.459 -3.273 1.00 0.35 C ATOM 73 CG PRO A 4 14.343 7.301 -3.532 1.00 0.43 C ATOM 74 CD PRO A 4 14.466 6.144 -4.487 1.00 0.37 C ATOM 0 HA PRO A 4 12.207 5.582 -2.350 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.419 8.102 -4.019 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.704 7.915 -2.300 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.765 8.210 -3.962 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.886 7.104 -2.607 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.462 6.477 -5.525 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.394 5.593 -4.333 1.00 0.37 H new ATOM 82 N LYS A 5 10.084 5.122 -3.479 1.00 0.24 N ATOM 83 CA LYS A 5 8.723 4.999 -3.979 1.00 0.22 C ATOM 84 C LYS A 5 7.731 5.667 -3.024 1.00 0.25 C ATOM 85 O LYS A 5 8.070 5.988 -1.883 1.00 0.48 O ATOM 86 CB LYS A 5 8.374 3.513 -4.160 1.00 0.24 C ATOM 87 CG LYS A 5 7.066 3.255 -4.898 1.00 0.24 C ATOM 88 CD LYS A 5 6.967 1.807 -5.361 1.00 0.34 C ATOM 89 CE LYS A 5 5.660 1.529 -6.093 1.00 0.35 C ATOM 90 NZ LYS A 5 5.770 0.366 -7.017 1.00 0.40 N ATOM 0 H LYS A 5 10.322 4.455 -2.745 1.00 0.24 H new ATOM 0 HA LYS A 5 8.655 5.504 -4.942 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.184 3.026 -4.703 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.321 3.043 -3.178 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.225 3.488 -4.245 1.00 0.24 H new ATOM 0 HG3 LYS A 5 6.995 3.920 -5.759 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.806 1.579 -6.018 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.048 1.145 -4.499 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.871 1.340 -5.365 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.367 2.414 -6.658 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.831 0.139 -7.403 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.417 0.602 -7.796 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.138 -0.456 -6.498 1.00 0.40 H new ATOM 104 N LEU A 6 6.518 5.892 -3.511 1.00 0.22 N ATOM 105 CA LEU A 6 5.454 6.491 -2.716 1.00 0.23 C ATOM 106 C LEU A 6 4.113 5.938 -3.187 1.00 0.22 C ATOM 107 O LEU A 6 4.022 5.395 -4.295 1.00 0.25 O ATOM 108 CB LEU A 6 5.481 8.026 -2.811 1.00 0.27 C ATOM 109 CG LEU A 6 4.816 8.635 -4.050 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.698 10.142 -3.901 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.599 8.290 -5.303 1.00 0.50 C ATOM 0 H LEU A 6 6.244 5.665 -4.467 1.00 0.22 H new ATOM 0 HA LEU A 6 5.604 6.234 -1.667 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.994 8.433 -1.925 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.520 8.354 -2.783 1.00 0.27 H new ATOM 0 HG LEU A 6 3.815 8.214 -4.143 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.224 10.559 -4.789 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.094 10.375 -3.024 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.691 10.575 -3.783 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.110 8.732 -6.171 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.612 8.683 -5.218 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.638 7.207 -5.421 1.00 0.50 H new ATOM 123 N LEU A 7 3.086 6.060 -2.352 1.00 0.24 N ATOM 124 CA LEU A 7 1.761 5.553 -2.686 1.00 0.26 C ATOM 125 C LEU A 7 0.719 6.663 -2.609 1.00 0.22 C ATOM 126 O LEU A 7 0.229 6.997 -1.528 1.00 0.24 O ATOM 127 CB LEU A 7 1.383 4.402 -1.747 1.00 0.32 C ATOM 128 CG LEU A 7 -0.005 3.798 -1.977 1.00 0.36 C ATOM 129 CD1 LEU A 7 -0.130 3.253 -3.393 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.281 2.706 -0.952 1.00 0.46 C ATOM 0 H LEU A 7 3.147 6.507 -1.437 1.00 0.24 H new ATOM 0 HA LEU A 7 1.785 5.180 -3.710 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.127 3.612 -1.850 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.439 4.760 -0.719 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.749 4.585 -1.853 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -1.124 2.829 -3.533 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.024 4.061 -4.109 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.620 2.479 -3.552 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.271 2.285 -1.127 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.469 1.921 -1.046 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.239 3.130 0.051 1.00 0.46 H new ATOM 142 N TYR A 8 0.388 7.232 -3.760 1.00 0.22 N ATOM 143 CA TYR A 8 -0.591 8.305 -3.830 1.00 0.21 C ATOM 144 C TYR A 8 -1.999 7.736 -3.974 1.00 0.21 C ATOM 145 O TYR A 8 -2.267 6.924 -4.864 1.00 0.29 O ATOM 146 CB TYR A 8 -0.275 9.239 -5.005 1.00 0.24 C ATOM 147 CG TYR A 8 -0.588 10.690 -4.731 1.00 0.28 C ATOM 148 CD1 TYR A 8 0.337 11.507 -4.094 1.00 0.46 C ATOM 149 CD2 TYR A 8 -1.804 11.244 -5.108 1.00 0.37 C ATOM 150 CE1 TYR A 8 0.059 12.834 -3.839 1.00 0.56 C ATOM 151 CE2 TYR A 8 -2.089 12.572 -4.858 1.00 0.46 C ATOM 152 CZ TYR A 8 -1.153 13.363 -4.224 1.00 0.50 C ATOM 153 OH TYR A 8 -1.435 14.684 -3.965 1.00 0.63 O ATOM 0 H TYR A 8 0.786 6.966 -4.661 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.541 8.877 -2.904 1.00 0.21 H new ATOM 0 HB2 TYR A 8 0.781 9.146 -5.257 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.841 8.914 -5.878 1.00 0.24 H new ATOM 0 HD1 TYR A 8 1.290 11.097 -3.793 1.00 0.46 H new ATOM 0 HD2 TYR A 8 -2.538 10.627 -5.604 1.00 0.37 H new ATOM 0 HE1 TYR A 8 0.788 13.455 -3.340 1.00 0.56 H new ATOM 0 HE2 TYR A 8 -3.039 12.989 -5.157 1.00 0.46 H new ATOM 0 HH TYR A 8 -2.305 14.751 -3.519 1.00 0.63 H new ATOM 163 N CYS A 9 -2.889 8.149 -3.084 1.00 0.23 N ATOM 164 CA CYS A 9 -4.268 7.688 -3.110 1.00 0.27 C ATOM 165 C CYS A 9 -5.175 8.786 -3.652 1.00 0.28 C ATOM 166 O CYS A 9 -5.109 9.934 -3.205 1.00 0.30 O ATOM 167 CB CYS A 9 -4.715 7.270 -1.708 1.00 0.30 C ATOM 168 SG CYS A 9 -3.670 5.997 -0.958 1.00 0.37 S ATOM 0 H CYS A 9 -2.679 8.805 -2.332 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.337 6.821 -3.767 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.722 8.148 -1.062 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.740 6.903 -1.758 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.234 5.556 0.127 1.00 0.37 H new ATOM 174 N SER A 10 -6.012 8.442 -4.623 1.00 0.37 N ATOM 175 CA SER A 10 -6.916 9.411 -5.221 1.00 0.42 C ATOM 176 C SER A 10 -8.053 9.754 -4.256 1.00 0.39 C ATOM 177 O SER A 10 -9.192 9.315 -4.430 1.00 0.51 O ATOM 178 CB SER A 10 -7.470 8.876 -6.548 1.00 0.56 C ATOM 179 OG SER A 10 -7.823 9.939 -7.421 1.00 1.23 O ATOM 0 H SER A 10 -6.082 7.501 -5.011 1.00 0.37 H new ATOM 0 HA SER A 10 -6.359 10.325 -5.426 1.00 0.42 H new ATOM 0 HB2 SER A 10 -6.725 8.240 -7.027 1.00 0.56 H new ATOM 0 HB3 SER A 10 -8.344 8.254 -6.356 1.00 0.56 H new ATOM 0 HG SER A 10 -7.864 9.606 -8.342 1.00 1.23 H new ATOM 185 N ASN A 11 -7.726 10.509 -3.211 1.00 0.33 N ATOM 186 CA ASN A 11 -8.723 10.919 -2.229 1.00 0.36 C ATOM 187 C ASN A 11 -8.414 12.315 -1.685 1.00 0.35 C ATOM 188 O ASN A 11 -8.741 12.636 -0.537 1.00 0.47 O ATOM 189 CB ASN A 11 -8.798 9.901 -1.082 1.00 0.44 C ATOM 190 CG ASN A 11 -10.224 9.471 -0.770 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.613 9.372 0.395 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.009 9.187 -1.802 1.00 0.75 N ATOM 0 H ASN A 11 -6.782 10.848 -3.023 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.692 10.956 -2.726 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.207 9.023 -1.342 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.350 10.334 -0.188 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -11.967 8.876 -1.643 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.654 9.280 -2.754 1.00 0.75 H new ATOM 199 N GLY A 12 -7.804 13.150 -2.524 1.00 0.38 N ATOM 200 CA GLY A 12 -7.462 14.499 -2.115 1.00 0.45 C ATOM 201 C GLY A 12 -6.206 14.552 -1.268 1.00 0.46 C ATOM 202 O GLY A 12 -5.843 13.568 -0.620 1.00 0.87 O ATOM 0 H GLY A 12 -7.541 12.914 -3.481 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.325 15.119 -3.001 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.293 14.926 -1.553 1.00 0.45 H new ATOM 206 N GLY A 13 -5.547 15.704 -1.274 1.00 0.38 N ATOM 207 CA GLY A 13 -4.334 15.876 -0.503 1.00 0.36 C ATOM 208 C GLY A 13 -3.194 15.022 -1.021 1.00 0.31 C ATOM 209 O GLY A 13 -3.121 14.730 -2.217 1.00 0.40 O ATOM 0 H GLY A 13 -5.835 16.527 -1.804 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.038 16.925 -0.526 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.530 15.623 0.539 1.00 0.36 H new ATOM 213 N HIS A 14 -2.298 14.627 -0.123 1.00 0.26 N ATOM 214 CA HIS A 14 -1.150 13.796 -0.475 1.00 0.24 C ATOM 215 C HIS A 14 -1.111 12.568 0.435 1.00 0.22 C ATOM 216 O HIS A 14 -1.729 12.569 1.501 1.00 0.30 O ATOM 217 CB HIS A 14 0.154 14.591 -0.337 1.00 0.28 C ATOM 218 CG HIS A 14 0.403 15.581 -1.437 1.00 0.38 C ATOM 219 ND1 HIS A 14 1.324 15.585 -2.428 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.320 16.745 -1.589 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 1.145 16.738 -3.149 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 0.147 17.417 -2.623 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.346 14.872 0.866 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.250 13.477 -1.513 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.141 15.122 0.615 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.989 13.891 -0.301 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.140 17.057 -0.960 1.00 0.53 H new ATOM 0 HE1 HIS A 14 1.727 17.039 -4.007 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.206 18.313 -2.959 1.00 0.66 H new ATOM 231 N PHE A 15 -0.387 11.530 0.019 1.00 0.20 N ATOM 232 CA PHE A 15 -0.283 10.296 0.803 1.00 0.21 C ATOM 233 C PHE A 15 1.118 9.693 0.700 1.00 0.21 C ATOM 234 O PHE A 15 1.597 9.433 -0.401 1.00 0.23 O ATOM 235 CB PHE A 15 -1.306 9.268 0.311 1.00 0.27 C ATOM 236 CG PHE A 15 -2.738 9.637 0.594 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.469 10.387 -0.314 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.350 9.227 1.766 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.786 10.721 -0.055 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.662 9.558 2.031 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.382 10.305 1.119 1.00 0.45 C ATOM 0 H PHE A 15 0.137 11.517 -0.856 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.483 10.548 1.844 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.183 9.135 -0.764 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.091 8.307 0.778 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -3.005 10.714 -1.233 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -2.793 8.641 2.482 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.347 11.306 -0.769 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.126 9.234 2.951 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.410 10.563 1.324 1.00 0.45 H new ATOM 251 N LEU A 16 1.773 9.490 1.849 1.00 0.20 N ATOM 252 CA LEU A 16 3.116 8.897 1.874 1.00 0.22 C ATOM 253 C LEU A 16 3.737 8.900 3.280 1.00 0.23 C ATOM 254 O LEU A 16 4.951 9.045 3.424 1.00 0.33 O ATOM 255 CB LEU A 16 4.047 9.617 0.883 1.00 0.23 C ATOM 256 CG LEU A 16 3.952 11.146 0.873 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.596 11.740 2.116 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.596 11.712 -0.383 1.00 0.45 C ATOM 0 H LEU A 16 1.398 9.726 2.768 1.00 0.20 H new ATOM 0 HA LEU A 16 3.003 7.856 1.572 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.076 9.337 1.110 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.831 9.251 -0.121 1.00 0.23 H new ATOM 0 HG LEU A 16 2.897 11.419 0.875 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.515 12.827 2.084 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.088 11.364 3.004 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.648 11.456 2.152 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.519 12.799 -0.373 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.646 11.423 -0.415 1.00 0.45 H new ATOM 0 HD23 LEU A 16 4.085 11.320 -1.262 1.00 0.45 H new ATOM 270 N ARG A 17 2.917 8.706 4.314 1.00 0.24 N ATOM 271 CA ARG A 17 3.423 8.692 5.686 1.00 0.26 C ATOM 272 C ARG A 17 2.984 7.428 6.416 1.00 0.22 C ATOM 273 O ARG A 17 1.838 6.994 6.287 1.00 0.29 O ATOM 274 CB ARG A 17 2.960 9.931 6.456 1.00 0.34 C ATOM 275 CG ARG A 17 3.400 9.935 7.914 1.00 0.47 C ATOM 276 CD ARG A 17 3.326 11.326 8.525 1.00 0.53 C ATOM 277 NE ARG A 17 1.951 11.817 8.626 1.00 0.54 N ATOM 278 CZ ARG A 17 1.601 12.959 9.219 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.519 13.714 9.820 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.328 13.344 9.213 1.00 0.86 N ATOM 0 H ARG A 17 1.911 8.558 4.229 1.00 0.24 H new ATOM 0 HA ARG A 17 4.512 8.704 5.635 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.349 10.822 5.964 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.873 9.992 6.412 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.770 9.254 8.485 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.421 9.561 7.986 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.777 11.309 9.517 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.913 12.018 7.920 1.00 0.53 H new ATOM 0 HE ARG A 17 1.211 11.248 8.215 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.496 13.420 9.828 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.245 14.587 10.272 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.377 12.766 8.756 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.057 14.217 9.666 1.00 0.86 H new ATOM 294 N ILE A 18 3.901 6.852 7.185 1.00 0.21 N ATOM 295 CA ILE A 18 3.628 5.636 7.942 1.00 0.20 C ATOM 296 C ILE A 18 4.170 5.772 9.362 1.00 0.20 C ATOM 297 O ILE A 18 5.359 6.027 9.562 1.00 0.26 O ATOM 298 CB ILE A 18 4.247 4.389 7.261 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.910 3.116 8.044 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.755 4.542 7.119 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.466 2.690 7.908 1.00 0.33 C ATOM 0 H ILE A 18 4.848 7.212 7.301 1.00 0.21 H new ATOM 0 HA ILE A 18 2.547 5.500 7.974 1.00 0.20 H new ATOM 0 HB ILE A 18 3.815 4.303 6.264 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.554 2.306 7.700 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.136 3.277 9.098 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.167 3.655 6.638 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.976 5.419 6.511 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.203 4.662 8.105 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.298 1.782 8.488 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.816 3.483 8.279 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.241 2.497 6.859 1.00 0.33 H new ATOM 313 N LEU A 19 3.294 5.609 10.340 1.00 0.21 N ATOM 314 CA LEU A 19 3.684 5.725 11.738 1.00 0.24 C ATOM 315 C LEU A 19 4.074 4.361 12.299 1.00 0.23 C ATOM 316 O LEU A 19 3.295 3.406 12.213 1.00 0.22 O ATOM 317 CB LEU A 19 2.547 6.332 12.574 1.00 0.30 C ATOM 318 CG LEU A 19 2.156 7.773 12.220 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.391 8.650 12.099 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.341 7.815 10.937 1.00 0.48 C ATOM 0 H LEU A 19 2.307 5.396 10.193 1.00 0.21 H new ATOM 0 HA LEU A 19 4.547 6.389 11.793 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.666 5.700 12.468 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.837 6.301 13.624 1.00 0.30 H new ATOM 0 HG LEU A 19 1.536 8.163 13.028 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.092 9.667 11.848 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.929 8.654 13.047 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.040 8.259 11.315 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.076 8.847 10.708 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.930 7.401 10.118 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.432 7.227 11.064 1.00 0.48 H new ATOM 332 N PRO A 20 5.280 4.258 12.894 1.00 0.29 N ATOM 333 CA PRO A 20 5.788 3.010 13.480 1.00 0.33 C ATOM 334 C PRO A 20 4.760 2.330 14.381 1.00 0.30 C ATOM 335 O PRO A 20 4.778 1.109 14.556 1.00 0.36 O ATOM 336 CB PRO A 20 7.010 3.454 14.302 1.00 0.41 C ATOM 337 CG PRO A 20 6.982 4.947 14.300 1.00 0.55 C ATOM 338 CD PRO A 20 6.247 5.351 13.058 1.00 0.38 C ATOM 0 HA PRO A 20 6.026 2.276 12.711 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.960 3.063 15.318 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.934 3.080 13.862 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.481 5.328 15.190 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.993 5.355 14.304 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.754 6.316 13.174 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.914 5.435 12.200 1.00 0.38 H new ATOM 346 N ASP A 21 3.879 3.133 14.966 1.00 0.27 N ATOM 347 CA ASP A 21 2.819 2.621 15.832 1.00 0.30 C ATOM 348 C ASP A 21 1.931 1.645 15.066 1.00 0.29 C ATOM 349 O ASP A 21 1.304 0.762 15.656 1.00 0.41 O ATOM 350 CB ASP A 21 1.954 3.772 16.365 1.00 0.36 C ATOM 351 CG ASP A 21 2.774 4.909 16.936 1.00 0.64 C ATOM 352 OD1 ASP A 21 3.286 5.733 16.149 1.00 0.95 O ATOM 353 OD2 ASP A 21 2.917 4.985 18.170 1.00 0.96 O ATOM 0 H ASP A 21 3.877 4.147 14.857 1.00 0.27 H new ATOM 0 HA ASP A 21 3.290 2.105 16.669 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.327 4.152 15.559 1.00 0.36 H new ATOM 0 HB3 ASP A 21 1.285 3.390 17.136 1.00 0.36 H new ATOM 358 N GLY A 22 1.887 1.811 13.746 1.00 0.24 N ATOM 359 CA GLY A 22 1.070 0.967 12.904 1.00 0.27 C ATOM 360 C GLY A 22 -0.080 1.746 12.303 1.00 0.27 C ATOM 361 O GLY A 22 -1.245 1.385 12.472 1.00 0.35 O ATOM 0 H GLY A 22 2.412 2.527 13.244 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.681 0.542 12.108 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.682 0.132 13.488 1.00 0.27 H new ATOM 365 N THR A 23 0.243 2.842 11.620 1.00 0.24 N ATOM 366 CA THR A 23 -0.777 3.681 11.007 1.00 0.27 C ATOM 367 C THR A 23 -0.228 4.429 9.795 1.00 0.22 C ATOM 368 O THR A 23 0.952 4.795 9.759 1.00 0.25 O ATOM 369 CB THR A 23 -1.333 4.700 12.023 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.607 4.051 13.275 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.604 5.356 11.500 1.00 0.43 C ATOM 0 H THR A 23 1.200 3.167 11.479 1.00 0.24 H new ATOM 0 HA THR A 23 -1.580 3.021 10.679 1.00 0.27 H new ATOM 0 HB THR A 23 -0.579 5.473 12.171 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.958 4.707 13.913 1.00 0.47 H new ATOM 0 HG21 THR A 23 -2.974 6.070 12.236 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.387 5.876 10.567 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.361 4.592 11.322 1.00 0.43 H new ATOM 379 N VAL A 24 -1.091 4.647 8.811 1.00 0.25 N ATOM 380 CA VAL A 24 -0.728 5.350 7.589 1.00 0.24 C ATOM 381 C VAL A 24 -1.752 6.447 7.306 1.00 0.28 C ATOM 382 O VAL A 24 -2.958 6.227 7.457 1.00 0.37 O ATOM 383 CB VAL A 24 -0.650 4.379 6.383 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.976 3.668 6.165 1.00 0.37 C ATOM 385 CG2 VAL A 24 -0.222 5.112 5.120 1.00 0.32 C ATOM 0 H VAL A 24 -2.064 4.341 8.839 1.00 0.25 H new ATOM 0 HA VAL A 24 0.258 5.793 7.729 1.00 0.24 H new ATOM 0 HB VAL A 24 0.104 3.626 6.613 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.891 2.994 5.313 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -2.233 3.096 7.056 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.756 4.404 5.969 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -0.175 4.408 4.289 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.944 5.896 4.892 1.00 0.32 H new ATOM 0 HG23 VAL A 24 0.761 5.558 5.273 1.00 0.32 H new ATOM 395 N ASP A 25 -1.276 7.623 6.915 1.00 0.28 N ATOM 396 CA ASP A 25 -2.162 8.746 6.626 1.00 0.35 C ATOM 397 C ASP A 25 -1.627 9.584 5.465 1.00 0.27 C ATOM 398 O ASP A 25 -0.596 9.259 4.864 1.00 0.26 O ATOM 399 CB ASP A 25 -2.357 9.622 7.877 1.00 0.50 C ATOM 400 CG ASP A 25 -1.312 10.716 8.020 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.106 10.401 8.022 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.694 11.904 8.143 1.00 1.19 O ATOM 0 H ASP A 25 -0.284 7.824 6.791 1.00 0.28 H new ATOM 0 HA ASP A 25 -3.131 8.341 6.333 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.346 10.078 7.841 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.331 8.987 8.763 1.00 0.50 H new ATOM 407 N GLY A 26 -2.341 10.654 5.147 1.00 0.27 N ATOM 408 CA GLY A 26 -1.940 11.523 4.065 1.00 0.26 C ATOM 409 C GLY A 26 -0.830 12.483 4.455 1.00 0.32 C ATOM 410 O GLY A 26 -0.877 13.100 5.522 1.00 0.72 O ATOM 0 H GLY A 26 -3.197 10.936 5.625 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.608 10.916 3.223 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.804 12.094 3.726 1.00 0.26 H new ATOM 414 N THR A 27 0.167 12.614 3.589 1.00 0.25 N ATOM 415 CA THR A 27 1.297 13.502 3.833 1.00 0.23 C ATOM 416 C THR A 27 1.941 13.906 2.504 1.00 0.23 C ATOM 417 O THR A 27 1.804 13.200 1.504 1.00 0.26 O ATOM 418 CB THR A 27 2.345 12.829 4.750 1.00 0.30 C ATOM 419 OG1 THR A 27 1.731 12.400 5.976 1.00 0.60 O ATOM 420 CG2 THR A 27 3.490 13.781 5.069 1.00 0.65 C ATOM 0 H THR A 27 0.216 12.111 2.703 1.00 0.25 H new ATOM 0 HA THR A 27 0.928 14.394 4.339 1.00 0.23 H new ATOM 0 HB THR A 27 2.745 11.966 4.218 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.494 13.184 6.515 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.211 13.280 5.715 1.00 0.65 H new ATOM 0 HG22 THR A 27 3.981 14.083 4.144 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.099 14.663 5.577 1.00 0.65 H new ATOM 428 N ARG A 28 2.619 15.050 2.489 1.00 0.26 N ATOM 429 CA ARG A 28 3.264 15.545 1.276 1.00 0.29 C ATOM 430 C ARG A 28 4.774 15.354 1.344 1.00 0.29 C ATOM 431 O ARG A 28 5.390 15.609 2.379 1.00 0.39 O ATOM 432 CB ARG A 28 2.927 17.025 1.073 1.00 0.36 C ATOM 433 CG ARG A 28 3.541 17.936 2.128 1.00 0.44 C ATOM 434 CD ARG A 28 2.890 19.308 2.141 1.00 0.57 C ATOM 435 NE ARG A 28 1.503 19.256 2.612 1.00 0.66 N ATOM 436 CZ ARG A 28 0.922 20.206 3.351 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.586 21.316 3.669 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.335 20.053 3.763 1.00 1.12 N ATOM 0 H ARG A 28 2.736 15.652 3.304 1.00 0.26 H new ATOM 0 HA ARG A 28 2.888 14.972 0.428 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.274 17.337 0.088 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.844 17.148 1.083 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.436 17.475 3.110 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.609 18.043 1.938 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.465 19.976 2.782 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.916 19.730 1.137 1.00 0.57 H new ATOM 0 HE ARG A 28 0.944 18.441 2.359 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.545 21.446 3.348 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.135 22.036 4.233 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.854 19.211 3.515 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.779 20.778 4.327 1.00 1.12 H new ATOM 452 N ASP A 29 5.363 14.902 0.243 1.00 0.27 N ATOM 453 CA ASP A 29 6.802 14.681 0.174 1.00 0.29 C ATOM 454 C ASP A 29 7.240 14.539 -1.279 1.00 0.30 C ATOM 455 O ASP A 29 6.400 14.416 -2.180 1.00 0.37 O ATOM 456 CB ASP A 29 7.201 13.435 0.969 1.00 0.31 C ATOM 457 CG ASP A 29 8.600 13.542 1.545 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.564 13.673 0.767 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.737 13.519 2.788 1.00 0.53 O ATOM 0 H ASP A 29 4.863 14.681 -0.618 1.00 0.27 H new ATOM 0 HA ASP A 29 7.303 15.543 0.615 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.488 13.280 1.779 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.143 12.560 0.322 1.00 0.31 H new ATOM 464 N ARG A 30 8.543 14.542 -1.508 1.00 0.35 N ATOM 465 CA ARG A 30 9.079 14.430 -2.855 1.00 0.39 C ATOM 466 C ARG A 30 9.398 12.980 -3.186 1.00 0.37 C ATOM 467 O ARG A 30 10.550 12.554 -3.114 1.00 0.41 O ATOM 468 CB ARG A 30 10.323 15.307 -3.020 1.00 0.48 C ATOM 469 CG ARG A 30 10.936 15.236 -4.413 1.00 0.53 C ATOM 470 CD ARG A 30 9.904 15.500 -5.502 1.00 0.62 C ATOM 471 NE ARG A 30 10.484 15.391 -6.844 1.00 0.72 N ATOM 472 CZ ARG A 30 9.784 15.109 -7.952 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.473 14.885 -7.881 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.403 15.045 -9.131 1.00 1.02 N ATOM 0 H ARG A 30 9.250 14.621 -0.777 1.00 0.35 H new ATOM 0 HA ARG A 30 8.320 14.782 -3.553 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.060 16.342 -2.800 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.071 15.005 -2.287 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.742 15.965 -4.492 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.380 14.252 -4.564 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.082 14.790 -5.403 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.483 16.496 -5.369 1.00 0.62 H new ATOM 0 HE ARG A 30 11.488 15.540 -6.941 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.996 14.928 -6.980 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.946 14.671 -8.727 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.408 15.210 -9.189 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.872 14.831 -9.975 1.00 1.02 H new ATOM 488 N SER A 31 8.361 12.222 -3.532 1.00 0.44 N ATOM 489 CA SER A 31 8.517 10.816 -3.884 1.00 0.51 C ATOM 490 C SER A 31 9.286 10.064 -2.797 1.00 0.51 C ATOM 491 O SER A 31 10.127 9.209 -3.086 1.00 0.86 O ATOM 492 CB SER A 31 9.229 10.693 -5.233 1.00 0.65 C ATOM 493 OG SER A 31 8.612 11.520 -6.212 1.00 0.74 O ATOM 0 H SER A 31 7.400 12.561 -3.576 1.00 0.44 H new ATOM 0 HA SER A 31 7.528 10.365 -3.965 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.276 10.974 -5.122 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.211 9.655 -5.565 1.00 0.65 H new ATOM 0 HG SER A 31 9.085 11.426 -7.065 1.00 0.74 H new ATOM 499 N ASP A 32 8.986 10.389 -1.545 1.00 0.47 N ATOM 500 CA ASP A 32 9.635 9.755 -0.409 1.00 0.47 C ATOM 501 C ASP A 32 8.647 9.583 0.735 1.00 0.49 C ATOM 502 O ASP A 32 7.984 10.537 1.145 1.00 1.05 O ATOM 503 CB ASP A 32 10.842 10.572 0.068 1.00 0.57 C ATOM 504 CG ASP A 32 12.155 10.081 -0.507 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.549 8.930 -0.219 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.823 10.860 -1.221 1.00 0.83 O ATOM 0 H ASP A 32 8.292 11.093 -1.292 1.00 0.47 H new ATOM 0 HA ASP A 32 9.988 8.776 -0.731 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.699 11.617 -0.209 1.00 0.57 H new ATOM 0 HB3 ASP A 32 10.892 10.534 1.156 1.00 0.57 H new ATOM 511 N GLN A 33 8.537 8.359 1.225 1.00 0.35 N ATOM 512 CA GLN A 33 7.638 8.043 2.333 1.00 0.34 C ATOM 513 C GLN A 33 8.257 8.542 3.650 1.00 0.35 C ATOM 514 O GLN A 33 8.961 9.550 3.649 1.00 0.54 O ATOM 515 CB GLN A 33 7.409 6.528 2.363 1.00 0.45 C ATOM 516 CG GLN A 33 6.118 6.087 3.038 1.00 0.53 C ATOM 517 CD GLN A 33 6.308 4.806 3.825 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.363 4.594 4.424 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.301 3.945 3.826 1.00 0.82 N ATOM 0 H GLN A 33 9.062 7.559 0.872 1.00 0.35 H new ATOM 0 HA GLN A 33 6.676 8.539 2.203 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.412 6.155 1.339 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.248 6.059 2.876 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.768 6.875 3.704 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.345 5.940 2.284 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.445 4.161 3.316 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.382 3.066 4.337 1.00 0.82 H new ATOM 528 N HIS A 34 7.999 7.844 4.765 1.00 0.34 N ATOM 529 CA HIS A 34 8.558 8.220 6.071 1.00 0.39 C ATOM 530 C HIS A 34 10.015 8.663 5.920 1.00 0.37 C ATOM 531 O HIS A 34 10.465 9.614 6.559 1.00 0.50 O ATOM 532 CB HIS A 34 8.459 7.025 7.030 1.00 0.48 C ATOM 533 CG HIS A 34 9.377 7.103 8.212 1.00 0.63 C ATOM 534 ND1 HIS A 34 10.345 6.156 8.467 1.00 0.86 N ATOM 535 CD2 HIS A 34 9.465 8.009 9.213 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.987 6.476 9.573 1.00 0.99 C ATOM 537 NE2 HIS A 34 10.475 7.598 10.046 1.00 0.95 N ATOM 0 H HIS A 34 7.406 7.015 4.788 1.00 0.34 H new ATOM 0 HA HIS A 34 7.989 9.056 6.478 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.432 6.945 7.387 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.676 6.111 6.476 1.00 0.48 H new ATOM 0 HD1 HIS A 34 10.535 5.336 7.891 1.00 0.86 H new ATOM 0 HD2 HIS A 34 8.854 8.891 9.334 1.00 0.83 H new ATOM 0 HE1 HIS A 34 11.796 5.915 10.018 1.00 0.99 H new ATOM 546 N ILE A 35 10.738 7.942 5.074 1.00 0.31 N ATOM 547 CA ILE A 35 12.139 8.228 4.789 1.00 0.34 C ATOM 548 C ILE A 35 12.472 7.772 3.370 1.00 0.33 C ATOM 549 O ILE A 35 13.150 8.474 2.624 1.00 0.40 O ATOM 550 CB ILE A 35 13.086 7.536 5.798 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.851 8.078 7.215 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.541 7.725 5.388 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.755 7.467 8.268 1.00 0.51 C ATOM 0 H ILE A 35 10.369 7.139 4.564 1.00 0.31 H new ATOM 0 HA ILE A 35 12.288 9.304 4.882 1.00 0.34 H new ATOM 0 HB ILE A 35 12.867 6.468 5.796 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.997 9.158 7.208 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.813 7.898 7.494 1.00 0.42 H new ATOM 0 HG21 ILE A 35 15.190 7.231 6.111 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.700 7.291 4.401 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.775 8.789 5.358 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.526 7.902 9.241 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.593 6.390 8.306 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.796 7.669 8.016 1.00 0.51 H new ATOM 565 N GLN A 36 11.994 6.576 3.023 1.00 0.29 N ATOM 566 CA GLN A 36 12.196 5.999 1.703 1.00 0.30 C ATOM 567 C GLN A 36 11.355 4.732 1.572 1.00 0.30 C ATOM 568 O GLN A 36 11.532 3.791 2.343 1.00 0.64 O ATOM 569 CB GLN A 36 13.674 5.675 1.483 1.00 0.37 C ATOM 570 CG GLN A 36 13.941 4.823 0.252 1.00 0.40 C ATOM 571 CD GLN A 36 15.401 4.442 0.114 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.174 5.141 -0.540 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.787 3.332 0.728 1.00 0.61 N ATOM 0 H GLN A 36 11.455 5.983 3.654 1.00 0.29 H new ATOM 0 HA GLN A 36 11.887 6.720 0.946 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.231 6.608 1.395 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.057 5.156 2.362 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.336 3.918 0.303 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.626 5.368 -0.638 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.112 2.782 1.260 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.759 3.028 0.668 1.00 0.61 H new ATOM 582 N LEU A 37 10.425 4.718 0.626 1.00 0.27 N ATOM 583 CA LEU A 37 9.575 3.549 0.419 1.00 0.25 C ATOM 584 C LEU A 37 10.169 2.658 -0.661 1.00 0.22 C ATOM 585 O LEU A 37 10.525 3.139 -1.739 1.00 0.26 O ATOM 586 CB LEU A 37 8.155 3.968 0.032 1.00 0.33 C ATOM 587 CG LEU A 37 7.042 3.021 0.484 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.680 3.657 0.256 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.138 1.690 -0.251 1.00 0.53 C ATOM 0 H LEU A 37 10.239 5.496 -0.007 1.00 0.27 H new ATOM 0 HA LEU A 37 9.524 2.992 1.355 1.00 0.25 H new ATOM 0 HB2 LEU A 37 7.960 4.956 0.450 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.107 4.066 -1.053 1.00 0.33 H new ATOM 0 HG LEU A 37 7.163 2.833 1.551 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.899 2.971 0.583 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.611 4.583 0.826 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.553 3.874 -0.805 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.338 1.030 0.085 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.043 1.859 -1.324 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.102 1.227 -0.041 1.00 0.53 H new ATOM 601 N GLN A 38 10.286 1.373 -0.363 1.00 0.23 N ATOM 602 CA GLN A 38 10.839 0.420 -1.308 1.00 0.27 C ATOM 603 C GLN A 38 9.831 -0.674 -1.633 1.00 0.24 C ATOM 604 O GLN A 38 9.193 -1.233 -0.736 1.00 0.32 O ATOM 605 CB GLN A 38 12.112 -0.207 -0.746 1.00 0.38 C ATOM 606 CG GLN A 38 13.327 0.697 -0.828 1.00 0.51 C ATOM 607 CD GLN A 38 14.285 0.468 0.320 1.00 0.62 C ATOM 608 OE1 GLN A 38 13.871 0.291 1.464 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.569 0.455 0.025 1.00 0.75 N ATOM 0 H GLN A 38 10.004 0.967 0.529 1.00 0.23 H new ATOM 0 HA GLN A 38 11.077 0.958 -2.225 1.00 0.27 H new ATOM 0 HB2 GLN A 38 11.943 -0.479 0.296 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.320 -1.130 -1.287 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.844 0.523 -1.772 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.004 1.738 -0.828 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.873 0.606 -0.937 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.259 0.294 0.759 1.00 0.75 H new ATOM 618 N LEU A 39 9.688 -0.959 -2.920 1.00 0.24 N ATOM 619 CA LEU A 39 8.785 -1.994 -3.400 1.00 0.24 C ATOM 620 C LEU A 39 9.452 -2.732 -4.557 1.00 0.26 C ATOM 621 O LEU A 39 9.496 -2.227 -5.681 1.00 0.34 O ATOM 622 CB LEU A 39 7.446 -1.386 -3.840 1.00 0.26 C ATOM 623 CG LEU A 39 6.338 -2.396 -4.158 1.00 0.34 C ATOM 624 CD1 LEU A 39 4.983 -1.706 -4.196 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.615 -3.103 -5.477 1.00 0.41 C ATOM 0 H LEU A 39 10.196 -0.477 -3.662 1.00 0.24 H new ATOM 0 HA LEU A 39 8.576 -2.697 -2.594 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.092 -0.720 -3.053 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.618 -0.771 -4.723 1.00 0.26 H new ATOM 0 HG LEU A 39 6.322 -3.146 -3.367 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.208 -2.438 -4.423 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.779 -1.251 -3.227 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.989 -0.934 -4.965 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.816 -3.815 -5.683 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.662 -2.368 -6.281 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.566 -3.633 -5.413 1.00 0.41 H new ATOM 637 N SER A 40 10.002 -3.905 -4.267 1.00 0.25 N ATOM 638 CA SER A 40 10.691 -4.702 -5.274 1.00 0.28 C ATOM 639 C SER A 40 11.206 -6.010 -4.669 1.00 0.29 C ATOM 640 O SER A 40 10.780 -6.403 -3.581 1.00 0.38 O ATOM 641 CB SER A 40 11.854 -3.894 -5.865 1.00 0.36 C ATOM 642 OG SER A 40 11.625 -3.595 -7.236 1.00 0.55 O ATOM 0 H SER A 40 9.984 -4.327 -3.338 1.00 0.25 H new ATOM 0 HA SER A 40 9.987 -4.950 -6.068 1.00 0.28 H new ATOM 0 HB2 SER A 40 11.980 -2.968 -5.304 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.781 -4.457 -5.762 1.00 0.36 H new ATOM 0 HG SER A 40 11.914 -2.678 -7.423 1.00 0.55 H new ATOM 648 N ALA A 41 12.102 -6.687 -5.391 1.00 0.33 N ATOM 649 CA ALA A 41 12.694 -7.939 -4.927 1.00 0.37 C ATOM 650 C ALA A 41 11.656 -9.060 -4.906 1.00 0.36 C ATOM 651 O ALA A 41 11.398 -9.674 -3.867 1.00 0.76 O ATOM 652 CB ALA A 41 13.337 -7.757 -3.554 1.00 0.46 C ATOM 0 H ALA A 41 12.434 -6.384 -6.307 1.00 0.33 H new ATOM 0 HA ALA A 41 13.477 -8.225 -5.629 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.772 -8.702 -3.228 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.119 -7.000 -3.616 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.580 -7.439 -2.837 1.00 0.46 H new ATOM 658 N GLU A 42 11.066 -9.322 -6.067 1.00 0.35 N ATOM 659 CA GLU A 42 10.057 -10.363 -6.203 1.00 0.30 C ATOM 660 C GLU A 42 9.882 -10.765 -7.665 1.00 0.33 C ATOM 661 O GLU A 42 10.548 -10.220 -8.554 1.00 0.51 O ATOM 662 CB GLU A 42 8.717 -9.889 -5.638 1.00 0.32 C ATOM 663 CG GLU A 42 8.377 -10.480 -4.279 1.00 0.54 C ATOM 664 CD GLU A 42 8.479 -11.998 -4.239 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.446 -12.643 -5.310 1.00 1.01 O ATOM 666 OE2 GLU A 42 8.591 -12.554 -3.127 1.00 1.05 O ATOM 0 H GLU A 42 11.272 -8.823 -6.933 1.00 0.35 H new ATOM 0 HA GLU A 42 10.397 -11.231 -5.638 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.732 -8.802 -5.557 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.926 -10.145 -6.343 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.047 -10.058 -3.529 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.365 -10.184 -4.005 1.00 0.54 H new ATOM 673 N SER A 43 8.986 -11.717 -7.903 1.00 0.31 N ATOM 674 CA SER A 43 8.708 -12.199 -9.248 1.00 0.38 C ATOM 675 C SER A 43 7.919 -11.154 -10.040 1.00 0.34 C ATOM 676 O SER A 43 7.545 -10.107 -9.501 1.00 0.61 O ATOM 677 CB SER A 43 7.922 -13.511 -9.171 1.00 0.52 C ATOM 678 OG SER A 43 6.747 -13.358 -8.385 1.00 1.04 O ATOM 0 H SER A 43 8.437 -12.172 -7.174 1.00 0.31 H new ATOM 0 HA SER A 43 9.652 -12.376 -9.763 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.652 -13.836 -10.176 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.551 -14.291 -8.742 1.00 0.52 H new ATOM 0 HG SER A 43 6.712 -14.066 -7.708 1.00 1.04 H new ATOM 684 N VAL A 44 7.666 -11.433 -11.316 1.00 0.39 N ATOM 685 CA VAL A 44 6.911 -10.513 -12.161 1.00 0.39 C ATOM 686 C VAL A 44 5.433 -10.503 -11.749 1.00 0.36 C ATOM 687 O VAL A 44 4.549 -10.914 -12.507 1.00 0.59 O ATOM 688 CB VAL A 44 7.063 -10.863 -13.665 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.533 -12.260 -13.966 1.00 0.60 C ATOM 690 CG2 VAL A 44 6.372 -9.824 -14.539 1.00 0.58 C ATOM 0 H VAL A 44 7.971 -12.285 -11.786 1.00 0.39 H new ATOM 0 HA VAL A 44 7.321 -9.513 -12.018 1.00 0.39 H new ATOM 0 HB VAL A 44 8.127 -10.852 -13.899 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.654 -12.474 -15.028 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.089 -12.994 -13.382 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.476 -12.313 -13.704 1.00 0.60 H new ATOM 0 HG21 VAL A 44 6.493 -10.093 -15.588 1.00 0.58 H new ATOM 0 HG22 VAL A 44 5.311 -9.790 -14.294 1.00 0.58 H new ATOM 0 HG23 VAL A 44 6.817 -8.845 -14.361 1.00 0.58 H new ATOM 700 N GLY A 45 5.183 -10.042 -10.532 1.00 0.32 N ATOM 701 CA GLY A 45 3.838 -9.982 -10.000 1.00 0.33 C ATOM 702 C GLY A 45 3.855 -9.740 -8.508 1.00 0.28 C ATOM 703 O GLY A 45 3.238 -8.791 -8.018 1.00 0.33 O ATOM 0 H GLY A 45 5.903 -9.703 -9.894 1.00 0.32 H new ATOM 0 HA2 GLY A 45 3.283 -9.185 -10.495 1.00 0.33 H new ATOM 0 HA3 GLY A 45 3.316 -10.915 -10.215 1.00 0.33 H new ATOM 707 N GLU A 46 4.574 -10.596 -7.786 1.00 0.27 N ATOM 708 CA GLU A 46 4.694 -10.464 -6.342 1.00 0.28 C ATOM 709 C GLU A 46 5.541 -9.234 -6.023 1.00 0.24 C ATOM 710 O GLU A 46 6.368 -8.824 -6.840 1.00 0.31 O ATOM 711 CB GLU A 46 5.336 -11.721 -5.738 1.00 0.39 C ATOM 712 CG GLU A 46 4.576 -13.005 -6.044 1.00 0.51 C ATOM 713 CD GLU A 46 5.295 -14.247 -5.548 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.244 -14.704 -6.222 1.00 0.86 O ATOM 715 OE2 GLU A 46 4.911 -14.776 -4.484 1.00 0.82 O ATOM 0 H GLU A 46 5.082 -11.388 -8.180 1.00 0.27 H new ATOM 0 HA GLU A 46 3.701 -10.348 -5.907 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.355 -11.814 -6.114 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.405 -11.599 -4.657 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.588 -12.955 -5.586 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.424 -13.084 -7.120 1.00 0.51 H new ATOM 722 N VAL A 47 5.330 -8.633 -4.862 1.00 0.22 N ATOM 723 CA VAL A 47 6.094 -7.453 -4.484 1.00 0.25 C ATOM 724 C VAL A 47 6.290 -7.353 -2.976 1.00 0.23 C ATOM 725 O VAL A 47 5.368 -7.613 -2.195 1.00 0.29 O ATOM 726 CB VAL A 47 5.429 -6.152 -4.989 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.519 -6.055 -6.503 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.979 -6.065 -4.532 1.00 0.35 C ATOM 0 H VAL A 47 4.644 -8.938 -4.172 1.00 0.22 H new ATOM 0 HA VAL A 47 7.068 -7.567 -4.959 1.00 0.25 H new ATOM 0 HB VAL A 47 5.970 -5.310 -4.557 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.045 -5.132 -6.837 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.566 -6.056 -6.806 1.00 0.35 H new ATOM 0 HG13 VAL A 47 5.011 -6.908 -6.953 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.536 -5.140 -4.901 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.422 -6.916 -4.924 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.939 -6.077 -3.443 1.00 0.35 H new ATOM 738 N TYR A 48 7.508 -6.996 -2.582 1.00 0.22 N ATOM 739 CA TYR A 48 7.855 -6.816 -1.182 1.00 0.22 C ATOM 740 C TYR A 48 7.889 -5.322 -0.882 1.00 0.22 C ATOM 741 O TYR A 48 8.696 -4.584 -1.457 1.00 0.29 O ATOM 742 CB TYR A 48 9.215 -7.460 -0.880 1.00 0.25 C ATOM 743 CG TYR A 48 9.579 -7.470 0.590 1.00 0.35 C ATOM 744 CD1 TYR A 48 10.242 -6.395 1.169 1.00 0.58 C ATOM 745 CD2 TYR A 48 9.262 -8.555 1.396 1.00 0.49 C ATOM 746 CE1 TYR A 48 10.578 -6.403 2.510 1.00 0.74 C ATOM 747 CE2 TYR A 48 9.594 -8.571 2.736 1.00 0.66 C ATOM 748 CZ TYR A 48 10.253 -7.492 3.289 1.00 0.72 C ATOM 749 OH TYR A 48 10.589 -7.505 4.624 1.00 0.92 O ATOM 0 H TYR A 48 8.280 -6.824 -3.226 1.00 0.22 H new ATOM 0 HA TYR A 48 7.111 -7.301 -0.550 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.210 -8.485 -1.249 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.989 -6.926 -1.432 1.00 0.25 H new ATOM 0 HD1 TYR A 48 10.499 -5.540 0.562 1.00 0.58 H new ATOM 0 HD2 TYR A 48 8.747 -9.402 0.967 1.00 0.49 H new ATOM 0 HE1 TYR A 48 11.093 -5.559 2.945 1.00 0.74 H new ATOM 0 HE2 TYR A 48 9.339 -9.423 3.348 1.00 0.66 H new ATOM 0 HH TYR A 48 9.777 -7.422 5.167 1.00 0.92 H new ATOM 759 N ILE A 49 6.997 -4.875 -0.009 1.00 0.21 N ATOM 760 CA ILE A 49 6.910 -3.463 0.338 1.00 0.22 C ATOM 761 C ILE A 49 7.659 -3.156 1.632 1.00 0.23 C ATOM 762 O ILE A 49 7.305 -3.653 2.702 1.00 0.37 O ATOM 763 CB ILE A 49 5.438 -3.012 0.479 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.672 -3.282 -0.821 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.364 -1.534 0.847 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.188 -2.999 -0.725 1.00 0.38 C ATOM 0 H ILE A 49 6.323 -5.470 0.472 1.00 0.21 H new ATOM 0 HA ILE A 49 7.377 -2.909 -0.476 1.00 0.22 H new ATOM 0 HB ILE A 49 4.974 -3.588 1.280 1.00 0.26 H new ATOM 0 HG12 ILE A 49 5.098 -2.671 -1.617 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.816 -4.324 -1.107 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.320 -1.234 0.942 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.877 -1.369 1.795 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.842 -0.941 0.068 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.714 -3.213 -1.683 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.747 -3.629 0.047 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.033 -1.951 -0.470 1.00 0.38 H new ATOM 778 N LYS A 50 8.689 -2.323 1.527 1.00 0.21 N ATOM 779 CA LYS A 50 9.485 -1.938 2.683 1.00 0.25 C ATOM 780 C LYS A 50 9.452 -0.425 2.877 1.00 0.21 C ATOM 781 O LYS A 50 9.933 0.335 2.030 1.00 0.26 O ATOM 782 CB LYS A 50 10.934 -2.426 2.535 1.00 0.34 C ATOM 783 CG LYS A 50 11.820 -2.065 3.720 1.00 0.49 C ATOM 784 CD LYS A 50 13.065 -2.941 3.795 1.00 0.73 C ATOM 785 CE LYS A 50 14.188 -2.420 2.907 1.00 1.35 C ATOM 786 NZ LYS A 50 14.725 -1.118 3.387 1.00 1.74 N ATOM 0 H LYS A 50 8.992 -1.901 0.649 1.00 0.21 H new ATOM 0 HA LYS A 50 9.052 -2.411 3.565 1.00 0.25 H new ATOM 0 HB2 LYS A 50 10.933 -3.509 2.408 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.362 -1.999 1.628 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.118 -1.019 3.644 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.249 -2.168 4.643 1.00 0.49 H new ATOM 0 HD2 LYS A 50 13.412 -2.989 4.827 1.00 0.73 H new ATOM 0 HD3 LYS A 50 12.810 -3.958 3.497 1.00 0.73 H new ATOM 0 HE2 LYS A 50 14.993 -3.154 2.875 1.00 1.35 H new ATOM 0 HE3 LYS A 50 13.820 -2.306 1.888 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 15.725 -1.033 3.114 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.183 -0.340 2.960 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 14.643 -1.069 4.423 1.00 1.74 H new ATOM 800 N SER A 51 8.862 0.005 3.984 1.00 0.24 N ATOM 801 CA SER A 51 8.771 1.419 4.312 1.00 0.25 C ATOM 802 C SER A 51 9.998 1.836 5.120 1.00 0.25 C ATOM 803 O SER A 51 10.175 1.386 6.250 1.00 0.33 O ATOM 804 CB SER A 51 7.490 1.695 5.107 1.00 0.32 C ATOM 805 OG SER A 51 6.328 1.457 4.322 1.00 0.53 O ATOM 0 H SER A 51 8.436 -0.613 4.675 1.00 0.24 H new ATOM 0 HA SER A 51 8.737 2.001 3.391 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.467 1.062 5.994 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.491 2.729 5.453 1.00 0.32 H new ATOM 0 HG SER A 51 6.232 0.495 4.163 1.00 0.53 H new ATOM 811 N THR A 52 10.833 2.687 4.528 1.00 0.24 N ATOM 812 CA THR A 52 12.064 3.165 5.163 1.00 0.28 C ATOM 813 C THR A 52 13.196 2.164 4.920 1.00 0.28 C ATOM 814 O THR A 52 12.958 0.954 4.848 1.00 0.34 O ATOM 815 CB THR A 52 11.895 3.404 6.685 1.00 0.32 C ATOM 816 OG1 THR A 52 10.688 4.146 6.943 1.00 0.35 O ATOM 817 CG2 THR A 52 13.086 4.162 7.255 1.00 0.38 C ATOM 0 H THR A 52 10.677 3.066 3.594 1.00 0.24 H new ATOM 0 HA THR A 52 12.308 4.126 4.710 1.00 0.28 H new ATOM 0 HB THR A 52 11.835 2.430 7.171 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.563 4.821 6.244 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.941 4.316 8.324 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.996 3.585 7.091 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.174 5.128 6.758 1.00 0.38 H new ATOM 825 N GLU A 53 14.422 2.661 4.771 1.00 0.31 N ATOM 826 CA GLU A 53 15.556 1.780 4.534 1.00 0.35 C ATOM 827 C GLU A 53 15.746 0.837 5.719 1.00 0.31 C ATOM 828 O GLU A 53 15.861 -0.379 5.540 1.00 0.37 O ATOM 829 CB GLU A 53 16.837 2.580 4.273 1.00 0.43 C ATOM 830 CG GLU A 53 17.978 1.739 3.714 1.00 0.47 C ATOM 831 CD GLU A 53 17.641 1.100 2.376 1.00 0.57 C ATOM 832 OE1 GLU A 53 16.938 0.063 2.357 1.00 0.74 O ATOM 833 OE2 GLU A 53 18.073 1.633 1.328 1.00 0.73 O ATOM 0 H GLU A 53 14.651 3.654 4.810 1.00 0.31 H new ATOM 0 HA GLU A 53 15.346 1.189 3.642 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.615 3.387 3.575 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.161 3.044 5.204 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.862 2.366 3.599 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.232 0.958 4.430 1.00 0.47 H new ATOM 840 N THR A 54 15.749 1.396 6.922 1.00 0.28 N ATOM 841 CA THR A 54 15.916 0.605 8.133 1.00 0.31 C ATOM 842 C THR A 54 15.141 1.214 9.304 1.00 0.33 C ATOM 843 O THR A 54 14.889 2.424 9.329 1.00 0.52 O ATOM 844 CB THR A 54 17.406 0.486 8.510 1.00 0.40 C ATOM 845 OG1 THR A 54 18.087 1.723 8.242 1.00 0.63 O ATOM 846 CG2 THR A 54 18.073 -0.637 7.733 1.00 0.68 C ATOM 0 H THR A 54 15.637 2.397 7.085 1.00 0.28 H new ATOM 0 HA THR A 54 15.518 -0.389 7.928 1.00 0.31 H new ATOM 0 HB THR A 54 17.467 0.261 9.575 1.00 0.40 H new ATOM 0 HG1 THR A 54 19.032 1.636 8.487 1.00 0.63 H new ATOM 0 HG21 THR A 54 19.124 -0.701 8.016 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.578 -1.581 7.960 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.997 -0.435 6.665 1.00 0.68 H new ATOM 854 N GLY A 55 14.760 0.372 10.260 1.00 0.39 N ATOM 855 CA GLY A 55 14.023 0.836 11.422 1.00 0.44 C ATOM 856 C GLY A 55 12.512 0.777 11.245 1.00 0.42 C ATOM 857 O GLY A 55 11.769 1.271 12.097 1.00 0.76 O ATOM 0 H GLY A 55 14.950 -0.630 10.250 1.00 0.39 H new ATOM 0 HA2 GLY A 55 14.304 0.233 12.285 1.00 0.44 H new ATOM 0 HA3 GLY A 55 14.315 1.863 11.642 1.00 0.44 H new ATOM 861 N GLN A 56 12.047 0.175 10.153 1.00 0.34 N ATOM 862 CA GLN A 56 10.615 0.064 9.895 1.00 0.30 C ATOM 863 C GLN A 56 10.294 -1.234 9.155 1.00 0.27 C ATOM 864 O GLN A 56 11.200 -1.963 8.749 1.00 0.38 O ATOM 865 CB GLN A 56 10.122 1.273 9.097 1.00 0.37 C ATOM 866 CG GLN A 56 9.925 2.520 9.943 1.00 0.49 C ATOM 867 CD GLN A 56 8.869 2.332 11.013 1.00 0.76 C ATOM 868 OE1 GLN A 56 7.697 2.641 10.807 1.00 1.02 O ATOM 869 NE2 GLN A 56 9.277 1.819 12.163 1.00 0.89 N ATOM 0 H GLN A 56 12.639 -0.242 9.435 1.00 0.34 H new ATOM 0 HA GLN A 56 10.096 0.045 10.853 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.838 1.491 8.304 1.00 0.37 H new ATOM 0 HB3 GLN A 56 9.179 1.019 8.614 1.00 0.37 H new ATOM 0 HG2 GLN A 56 10.871 2.790 10.413 1.00 0.49 H new ATOM 0 HG3 GLN A 56 9.641 3.352 9.298 1.00 0.49 H new ATOM 0 HE21 GLN A 56 10.259 1.576 12.293 1.00 0.89 H new ATOM 0 HE22 GLN A 56 8.609 1.667 12.919 1.00 0.89 H new ATOM 878 N TYR A 57 9.006 -1.517 8.992 1.00 0.24 N ATOM 879 CA TYR A 57 8.552 -2.729 8.317 1.00 0.23 C ATOM 880 C TYR A 57 7.057 -2.606 8.013 1.00 0.25 C ATOM 881 O TYR A 57 6.290 -2.167 8.868 1.00 0.42 O ATOM 882 CB TYR A 57 8.830 -3.935 9.219 1.00 0.26 C ATOM 883 CG TYR A 57 8.619 -5.288 8.571 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.341 -5.776 8.318 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.706 -6.088 8.239 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.155 -7.022 7.749 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.529 -7.336 7.676 1.00 0.73 C ATOM 888 CZ TYR A 57 8.252 -7.800 7.432 1.00 0.79 C ATOM 889 OH TYR A 57 8.073 -9.049 6.874 1.00 1.03 O ATOM 0 H TYR A 57 8.250 -0.917 9.322 1.00 0.24 H new ATOM 0 HA TYR A 57 9.086 -2.865 7.377 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.860 -3.875 9.571 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.188 -3.867 10.098 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.482 -5.172 8.570 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.707 -5.727 8.425 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.157 -7.386 7.553 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.385 -7.946 7.428 1.00 0.73 H new ATOM 0 HH TYR A 57 8.945 -9.476 6.741 1.00 1.03 H new ATOM 899 N LEU A 58 6.651 -2.968 6.800 1.00 0.20 N ATOM 900 CA LEU A 58 5.246 -2.874 6.403 1.00 0.22 C ATOM 901 C LEU A 58 4.564 -4.236 6.478 1.00 0.23 C ATOM 902 O LEU A 58 5.047 -5.213 5.899 1.00 0.30 O ATOM 903 CB LEU A 58 5.146 -2.307 4.981 1.00 0.27 C ATOM 904 CG LEU A 58 3.785 -1.707 4.593 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.736 -2.795 4.413 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.331 -0.687 5.632 1.00 0.38 C ATOM 0 H LEU A 58 7.271 -3.329 6.075 1.00 0.20 H new ATOM 0 HA LEU A 58 4.735 -2.204 7.094 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.908 -1.537 4.863 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.385 -3.103 4.275 1.00 0.27 H new ATOM 0 HG LEU A 58 3.904 -1.196 3.638 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.784 -2.341 4.139 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.052 -3.478 3.625 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.620 -3.346 5.346 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.366 -0.274 5.339 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.238 -1.173 6.603 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.065 0.117 5.698 1.00 0.38 H new ATOM 918 N ALA A 59 3.443 -4.301 7.193 1.00 0.23 N ATOM 919 CA ALA A 59 2.701 -5.548 7.335 1.00 0.27 C ATOM 920 C ALA A 59 1.194 -5.312 7.277 1.00 0.24 C ATOM 921 O ALA A 59 0.706 -4.219 7.584 1.00 0.26 O ATOM 922 CB ALA A 59 3.084 -6.245 8.630 1.00 0.35 C ATOM 0 H ALA A 59 3.031 -3.506 7.681 1.00 0.23 H new ATOM 0 HA ALA A 59 2.966 -6.193 6.497 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.522 -7.175 8.723 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.151 -6.465 8.623 1.00 0.35 H new ATOM 0 HB3 ALA A 59 2.853 -5.596 9.475 1.00 0.35 H new ATOM 928 N MET A 60 0.458 -6.345 6.881 1.00 0.28 N ATOM 929 CA MET A 60 -0.994 -6.263 6.776 1.00 0.30 C ATOM 930 C MET A 60 -1.666 -7.105 7.855 1.00 0.26 C ATOM 931 O MET A 60 -1.282 -8.254 8.087 1.00 0.44 O ATOM 932 CB MET A 60 -1.470 -6.727 5.391 1.00 0.40 C ATOM 933 CG MET A 60 -1.045 -8.147 5.027 1.00 0.73 C ATOM 934 SD MET A 60 -2.421 -9.173 4.464 1.00 0.93 S ATOM 935 CE MET A 60 -3.151 -9.653 6.027 1.00 1.97 C ATOM 0 H MET A 60 0.846 -7.253 6.626 1.00 0.28 H new ATOM 0 HA MET A 60 -1.275 -5.219 6.916 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.558 -6.664 5.353 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.085 -6.040 4.638 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.287 -8.104 4.245 1.00 0.73 H new ATOM 0 HG3 MET A 60 -0.581 -8.615 5.895 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.179 -9.975 5.864 1.00 1.97 H new ATOM 0 HE2 MET A 60 -2.578 -10.473 6.460 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.141 -8.803 6.710 1.00 1.97 H new ATOM 945 N ASP A 61 -2.652 -6.524 8.525 1.00 0.30 N ATOM 946 CA ASP A 61 -3.397 -7.228 9.565 1.00 0.31 C ATOM 947 C ASP A 61 -4.362 -8.219 8.926 1.00 0.29 C ATOM 948 O ASP A 61 -4.987 -7.913 7.903 1.00 0.34 O ATOM 949 CB ASP A 61 -4.168 -6.238 10.443 1.00 0.42 C ATOM 950 CG ASP A 61 -4.827 -6.906 11.637 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.767 -7.709 11.439 1.00 0.96 O ATOM 952 OD2 ASP A 61 -4.413 -6.619 12.781 1.00 0.94 O ATOM 0 H ASP A 61 -2.957 -5.563 8.367 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.690 -7.768 10.195 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.487 -5.463 10.795 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.931 -5.743 9.842 1.00 0.42 H new ATOM 957 N THR A 62 -4.481 -9.395 9.531 1.00 0.37 N ATOM 958 CA THR A 62 -5.356 -10.447 9.023 1.00 0.44 C ATOM 959 C THR A 62 -6.751 -9.907 8.680 1.00 0.41 C ATOM 960 O THR A 62 -7.302 -10.221 7.619 1.00 0.50 O ATOM 961 CB THR A 62 -5.474 -11.616 10.033 1.00 0.59 C ATOM 962 OG1 THR A 62 -6.150 -12.732 9.437 1.00 0.85 O ATOM 963 CG2 THR A 62 -6.208 -11.185 11.295 1.00 0.74 C ATOM 0 H THR A 62 -3.978 -9.646 10.382 1.00 0.37 H new ATOM 0 HA THR A 62 -4.901 -10.822 8.107 1.00 0.44 H new ATOM 0 HB THR A 62 -4.463 -11.915 10.308 1.00 0.59 H new ATOM 0 HG1 THR A 62 -6.214 -13.461 10.088 1.00 0.85 H new ATOM 0 HG21 THR A 62 -6.274 -12.028 11.983 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.664 -10.369 11.771 1.00 0.74 H new ATOM 0 HG23 THR A 62 -7.212 -10.849 11.035 1.00 0.74 H new ATOM 971 N ASP A 63 -7.304 -9.070 9.558 1.00 0.36 N ATOM 972 CA ASP A 63 -8.635 -8.505 9.340 1.00 0.41 C ATOM 973 C ASP A 63 -8.680 -7.730 8.032 1.00 0.40 C ATOM 974 O ASP A 63 -9.494 -8.018 7.149 1.00 0.65 O ATOM 975 CB ASP A 63 -9.036 -7.583 10.497 1.00 0.47 C ATOM 976 CG ASP A 63 -10.334 -6.843 10.220 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.410 -7.375 10.567 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.286 -5.730 9.658 1.00 0.75 O ATOM 0 H ASP A 63 -6.853 -8.770 10.422 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.342 -9.333 9.290 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -9.143 -8.172 11.408 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.240 -6.861 10.676 1.00 0.47 H new ATOM 983 N GLY A 64 -7.791 -6.756 7.915 1.00 0.45 N ATOM 984 CA GLY A 64 -7.725 -5.942 6.723 1.00 0.50 C ATOM 985 C GLY A 64 -7.232 -4.543 7.023 1.00 0.43 C ATOM 986 O GLY A 64 -7.901 -3.557 6.694 1.00 0.64 O ATOM 0 H GLY A 64 -7.108 -6.514 8.633 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.062 -6.413 5.998 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.712 -5.889 6.264 1.00 0.50 H new ATOM 990 N LEU A 65 -6.059 -4.459 7.647 1.00 0.40 N ATOM 991 CA LEU A 65 -5.461 -3.181 8.007 1.00 0.34 C ATOM 992 C LEU A 65 -3.955 -3.219 7.759 1.00 0.33 C ATOM 993 O LEU A 65 -3.270 -4.143 8.204 1.00 0.60 O ATOM 994 CB LEU A 65 -5.746 -2.868 9.481 1.00 0.37 C ATOM 995 CG LEU A 65 -5.932 -1.386 9.825 1.00 0.71 C ATOM 996 CD1 LEU A 65 -4.706 -0.581 9.429 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.184 -0.835 9.155 1.00 1.16 C ATOM 0 H LEU A 65 -5.502 -5.270 7.915 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.898 -2.397 7.388 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.645 -3.406 9.780 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.925 -3.261 10.081 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.056 -1.298 10.904 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -4.862 0.468 9.683 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -3.835 -0.958 9.964 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.541 -0.674 8.356 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.300 0.218 9.411 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -7.093 -0.938 8.074 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.056 -1.390 9.501 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.449 -2.239 7.020 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.023 -2.155 6.728 1.00 0.36 C ATOM 1011 C LEU A 66 -1.331 -1.315 7.796 1.00 0.34 C ATOM 1012 O LEU A 66 -1.784 -0.211 8.108 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.786 -1.551 5.339 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.063 -2.487 4.159 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -3.542 -2.836 4.077 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.591 -1.854 2.859 1.00 0.61 C ATOM 0 H LEU A 66 -4.007 -1.489 6.611 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.604 -3.161 6.734 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.414 -0.666 5.234 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.751 -1.216 5.279 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.507 -3.411 4.319 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -3.712 -3.502 3.231 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -3.850 -3.332 4.997 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.124 -1.924 3.944 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -1.795 -2.531 2.030 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.120 -0.915 2.699 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.520 -1.662 2.916 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.246 -1.835 8.357 1.00 0.28 N ATOM 1029 CA TYR A 67 0.479 -1.127 9.406 1.00 0.33 C ATOM 1030 C TYR A 67 1.991 -1.250 9.225 1.00 0.30 C ATOM 1031 O TYR A 67 2.479 -2.175 8.567 1.00 0.32 O ATOM 1032 CB TYR A 67 0.075 -1.661 10.784 1.00 0.43 C ATOM 1033 CG TYR A 67 0.312 -3.147 10.967 1.00 0.41 C ATOM 1034 CD1 TYR A 67 -0.666 -4.071 10.626 1.00 0.45 C ATOM 1035 CD2 TYR A 67 1.514 -3.622 11.473 1.00 0.55 C ATOM 1036 CE1 TYR A 67 -0.454 -5.425 10.785 1.00 0.55 C ATOM 1037 CE2 TYR A 67 1.735 -4.976 11.635 1.00 0.65 C ATOM 1038 CZ TYR A 67 0.745 -5.874 11.290 1.00 0.63 C ATOM 1039 OH TYR A 67 0.957 -7.229 11.446 1.00 0.80 O ATOM 0 H TYR A 67 0.150 -2.740 8.105 1.00 0.28 H new ATOM 0 HA TYR A 67 0.215 -0.072 9.335 1.00 0.33 H new ATOM 0 HB2 TYR A 67 0.631 -1.119 11.549 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.982 -1.450 10.948 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -1.609 -3.724 10.230 1.00 0.45 H new ATOM 0 HD2 TYR A 67 2.290 -2.921 11.745 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -1.226 -6.130 10.514 1.00 0.55 H new ATOM 0 HE2 TYR A 67 2.676 -5.330 12.029 1.00 0.65 H new ATOM 0 HH TYR A 67 1.853 -7.380 11.813 1.00 0.80 H new ATOM 1049 N GLY A 68 2.721 -0.305 9.811 1.00 0.34 N ATOM 1050 CA GLY A 68 4.165 -0.307 9.728 1.00 0.38 C ATOM 1051 C GLY A 68 4.804 -0.552 11.080 1.00 0.52 C ATOM 1052 O GLY A 68 4.790 0.324 11.945 1.00 1.27 O ATOM 0 H GLY A 68 2.329 0.469 10.347 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.488 -1.077 9.028 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.508 0.649 9.331 1.00 0.38 H new ATOM 1056 N SER A 69 5.346 -1.746 11.269 1.00 0.36 N ATOM 1057 CA SER A 69 5.994 -2.115 12.523 1.00 0.39 C ATOM 1058 C SER A 69 6.995 -3.242 12.281 1.00 0.32 C ATOM 1059 O SER A 69 6.741 -4.142 11.479 1.00 0.37 O ATOM 1060 CB SER A 69 4.950 -2.539 13.562 1.00 0.51 C ATOM 1061 OG SER A 69 4.031 -1.487 13.839 1.00 1.23 O ATOM 0 H SER A 69 5.350 -2.483 10.564 1.00 0.36 H new ATOM 0 HA SER A 69 6.529 -1.248 12.910 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.407 -3.411 13.198 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.452 -2.837 14.483 1.00 0.51 H new ATOM 0 HG SER A 69 4.517 -0.639 13.911 1.00 1.23 H new ATOM 1067 N GLN A 70 8.129 -3.183 12.972 1.00 0.31 N ATOM 1068 CA GLN A 70 9.176 -4.187 12.819 1.00 0.33 C ATOM 1069 C GLN A 70 8.664 -5.578 13.200 1.00 0.32 C ATOM 1070 O GLN A 70 8.630 -5.944 14.378 1.00 0.45 O ATOM 1071 CB GLN A 70 10.398 -3.817 13.666 1.00 0.43 C ATOM 1072 CG GLN A 70 11.729 -4.130 12.996 1.00 0.61 C ATOM 1073 CD GLN A 70 11.956 -5.617 12.796 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.500 -6.442 13.587 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.673 -5.973 11.743 1.00 1.29 N ATOM 0 H GLN A 70 8.347 -2.448 13.645 1.00 0.31 H new ATOM 0 HA GLN A 70 9.471 -4.211 11.770 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.360 -2.752 13.896 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.345 -4.351 14.615 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.770 -3.628 12.029 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.539 -3.722 13.601 1.00 0.61 H new ATOM 0 HE21 GLN A 70 13.035 -5.261 11.108 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.864 -6.959 11.566 1.00 1.29 H new ATOM 1084 N THR A 71 8.229 -6.334 12.199 1.00 0.29 N ATOM 1085 CA THR A 71 7.730 -7.688 12.410 1.00 0.33 C ATOM 1086 C THR A 71 7.832 -8.506 11.120 1.00 0.30 C ATOM 1087 O THR A 71 6.929 -8.472 10.286 1.00 0.38 O ATOM 1088 CB THR A 71 6.260 -7.684 12.900 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.091 -6.758 13.986 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.832 -9.077 13.350 1.00 0.58 C ATOM 0 H THR A 71 8.212 -6.029 11.226 1.00 0.29 H new ATOM 0 HA THR A 71 8.351 -8.144 13.181 1.00 0.33 H new ATOM 0 HB THR A 71 5.633 -7.375 12.064 1.00 0.43 H new ATOM 0 HG1 THR A 71 6.946 -6.639 14.450 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.797 -9.048 13.689 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.921 -9.772 12.515 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.472 -9.408 14.168 1.00 0.58 H new ATOM 1098 N PRO A 72 8.944 -9.238 10.932 1.00 0.30 N ATOM 1099 CA PRO A 72 9.151 -10.062 9.735 1.00 0.33 C ATOM 1100 C PRO A 72 8.066 -11.124 9.593 1.00 0.31 C ATOM 1101 O PRO A 72 7.918 -11.988 10.464 1.00 0.44 O ATOM 1102 CB PRO A 72 10.519 -10.713 9.970 1.00 0.44 C ATOM 1103 CG PRO A 72 10.756 -10.602 11.436 1.00 0.50 C ATOM 1104 CD PRO A 72 10.077 -9.337 11.868 1.00 0.41 C ATOM 0 HA PRO A 72 9.109 -9.475 8.817 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.520 -11.754 9.648 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.300 -10.204 9.405 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.348 -11.464 11.964 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.823 -10.568 11.658 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.742 -9.391 12.904 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.741 -8.476 11.792 1.00 0.41 H new ATOM 1112 N ASN A 73 7.307 -11.061 8.503 1.00 0.28 N ATOM 1113 CA ASN A 73 6.227 -12.015 8.279 1.00 0.31 C ATOM 1114 C ASN A 73 5.795 -12.050 6.806 1.00 0.28 C ATOM 1115 O ASN A 73 5.978 -11.078 6.070 1.00 0.31 O ATOM 1116 CB ASN A 73 5.031 -11.658 9.178 1.00 0.38 C ATOM 1117 CG ASN A 73 3.868 -12.620 9.019 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.055 -13.783 8.663 1.00 1.01 O ATOM 1119 ND2 ASN A 73 2.663 -12.146 9.288 1.00 1.26 N ATOM 0 H ASN A 73 7.419 -10.365 7.766 1.00 0.28 H new ATOM 0 HA ASN A 73 6.594 -13.009 8.534 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.353 -11.654 10.219 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.695 -10.648 8.944 1.00 0.38 H new ATOM 0 HD21 ASN A 73 1.846 -12.751 9.203 1.00 1.26 H new ATOM 0 HD22 ASN A 73 2.550 -11.175 9.580 1.00 1.26 H new ATOM 1126 N GLU A 74 5.205 -13.173 6.395 1.00 0.28 N ATOM 1127 CA GLU A 74 4.738 -13.358 5.017 1.00 0.30 C ATOM 1128 C GLU A 74 3.789 -12.232 4.611 1.00 0.28 C ATOM 1129 O GLU A 74 3.728 -11.845 3.444 1.00 0.31 O ATOM 1130 CB GLU A 74 4.020 -14.700 4.877 1.00 0.37 C ATOM 1131 CG GLU A 74 4.832 -15.895 5.357 1.00 0.45 C ATOM 1132 CD GLU A 74 3.987 -17.143 5.491 1.00 0.56 C ATOM 1133 OE1 GLU A 74 2.978 -17.106 6.224 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.323 -18.164 4.862 1.00 0.79 O ATOM 0 H GLU A 74 5.037 -13.976 7.001 1.00 0.28 H new ATOM 0 HA GLU A 74 5.608 -13.341 4.361 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.086 -14.660 5.438 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.756 -14.851 3.830 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.647 -16.083 4.658 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.286 -15.661 6.320 1.00 0.45 H new ATOM 1141 N GLU A 75 3.049 -11.715 5.589 1.00 0.28 N ATOM 1142 CA GLU A 75 2.099 -10.629 5.367 1.00 0.30 C ATOM 1143 C GLU A 75 2.719 -9.459 4.589 1.00 0.34 C ATOM 1144 O GLU A 75 1.996 -8.638 4.029 1.00 0.60 O ATOM 1145 CB GLU A 75 1.566 -10.128 6.713 1.00 0.37 C ATOM 1146 CG GLU A 75 0.410 -10.946 7.273 1.00 0.49 C ATOM 1147 CD GLU A 75 0.383 -12.378 6.771 1.00 0.53 C ATOM 1148 OE1 GLU A 75 1.143 -13.219 7.293 1.00 1.21 O ATOM 1149 OE2 GLU A 75 -0.409 -12.676 5.859 1.00 1.26 O ATOM 0 H GLU A 75 3.091 -12.037 6.556 1.00 0.28 H new ATOM 0 HA GLU A 75 1.284 -11.027 4.762 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.381 -10.130 7.437 1.00 0.37 H new ATOM 0 HB3 GLU A 75 1.242 -9.093 6.600 1.00 0.37 H new ATOM 0 HG2 GLU A 75 0.473 -10.952 8.361 1.00 0.49 H new ATOM 0 HG3 GLU A 75 -0.530 -10.460 7.011 1.00 0.49 H new ATOM 1156 N CYS A 76 4.050 -9.376 4.575 1.00 0.25 N ATOM 1157 CA CYS A 76 4.748 -8.307 3.867 1.00 0.28 C ATOM 1158 C CYS A 76 4.783 -8.546 2.347 1.00 0.28 C ATOM 1159 O CYS A 76 5.171 -7.657 1.585 1.00 0.36 O ATOM 1160 CB CYS A 76 6.173 -8.181 4.408 1.00 0.31 C ATOM 1161 SG CYS A 76 6.874 -6.521 4.296 1.00 0.49 S ATOM 0 H CYS A 76 4.665 -10.038 5.047 1.00 0.25 H new ATOM 0 HA CYS A 76 4.200 -7.381 4.038 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.181 -8.495 5.452 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.817 -8.871 3.863 1.00 0.31 H new ATOM 0 HG CYS A 76 6.178 -5.706 5.032 1.00 0.49 H new ATOM 1167 N LEU A 77 4.383 -9.738 1.905 1.00 0.27 N ATOM 1168 CA LEU A 77 4.383 -10.064 0.481 1.00 0.31 C ATOM 1169 C LEU A 77 3.029 -9.748 -0.154 1.00 0.25 C ATOM 1170 O LEU A 77 2.016 -10.382 0.159 1.00 0.31 O ATOM 1171 CB LEU A 77 4.736 -11.540 0.271 1.00 0.41 C ATOM 1172 CG LEU A 77 6.215 -11.896 0.470 1.00 0.54 C ATOM 1173 CD1 LEU A 77 7.102 -11.046 -0.430 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.619 -11.731 1.930 1.00 0.58 C ATOM 0 H LEU A 77 4.056 -10.491 2.511 1.00 0.27 H new ATOM 0 HA LEU A 77 5.139 -9.448 -0.006 1.00 0.31 H new ATOM 0 HB2 LEU A 77 4.139 -12.140 0.958 1.00 0.41 H new ATOM 0 HB3 LEU A 77 4.443 -11.826 -0.739 1.00 0.41 H new ATOM 0 HG LEU A 77 6.351 -12.942 0.194 1.00 0.54 H new ATOM 0 HD11 LEU A 77 8.146 -11.316 -0.272 1.00 0.76 H new ATOM 0 HD12 LEU A 77 6.836 -11.221 -1.473 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.959 -9.992 -0.191 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.672 -11.989 2.048 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.462 -10.697 2.236 1.00 0.58 H new ATOM 0 HD23 LEU A 77 6.012 -12.389 2.552 1.00 0.58 H new ATOM 1186 N PHE A 78 3.020 -8.773 -1.058 1.00 0.21 N ATOM 1187 CA PHE A 78 1.793 -8.362 -1.732 1.00 0.21 C ATOM 1188 C PHE A 78 1.925 -8.504 -3.248 1.00 0.19 C ATOM 1189 O PHE A 78 2.988 -8.865 -3.757 1.00 0.23 O ATOM 1190 CB PHE A 78 1.455 -6.908 -1.381 1.00 0.26 C ATOM 1191 CG PHE A 78 1.260 -6.660 0.091 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.015 -6.827 0.676 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.323 -6.260 0.885 1.00 0.32 C ATOM 1194 CE1 PHE A 78 -0.167 -6.598 2.026 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.147 -6.029 2.236 1.00 0.38 C ATOM 1196 CZ PHE A 78 0.901 -6.198 2.807 1.00 0.45 C ATOM 0 H PHE A 78 3.850 -8.252 -1.341 1.00 0.21 H new ATOM 0 HA PHE A 78 0.989 -9.014 -1.390 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.255 -6.263 -1.744 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.547 -6.619 -1.910 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.822 -7.140 0.070 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.300 -6.127 0.443 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -1.142 -6.731 2.471 1.00 0.53 H new ATOM 0 HE2 PHE A 78 2.983 -5.717 2.845 1.00 0.38 H new ATOM 0 HZ PHE A 78 0.761 -6.018 3.863 1.00 0.45 H new ATOM 1206 N LEU A 79 0.834 -8.229 -3.952 1.00 0.21 N ATOM 1207 CA LEU A 79 0.801 -8.291 -5.408 1.00 0.21 C ATOM 1208 C LEU A 79 0.516 -6.894 -5.966 1.00 0.20 C ATOM 1209 O LEU A 79 -0.511 -6.295 -5.634 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.283 -9.279 -5.866 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.128 -9.844 -7.285 1.00 0.30 C ATOM 1212 CD1 LEU A 79 0.015 -8.725 -8.311 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.058 -10.796 -7.357 1.00 0.35 C ATOM 0 H LEU A 79 -0.053 -7.957 -3.529 1.00 0.21 H new ATOM 0 HA LEU A 79 1.765 -8.637 -5.781 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.304 -10.114 -5.165 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.251 -8.782 -5.799 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.033 -10.403 -7.524 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.123 -9.156 -9.306 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.871 -8.091 -8.284 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.896 -8.127 -8.077 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.151 -11.186 -8.371 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.970 -10.262 -7.088 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.904 -11.623 -6.663 1.00 0.35 H new ATOM 1225 N GLU A 80 1.427 -6.376 -6.787 1.00 0.21 N ATOM 1226 CA GLU A 80 1.265 -5.047 -7.373 1.00 0.22 C ATOM 1227 C GLU A 80 0.758 -5.153 -8.811 1.00 0.22 C ATOM 1228 O GLU A 80 1.494 -5.556 -9.717 1.00 0.35 O ATOM 1229 CB GLU A 80 2.592 -4.273 -7.324 1.00 0.28 C ATOM 1230 CG GLU A 80 2.533 -2.897 -7.981 1.00 0.33 C ATOM 1231 CD GLU A 80 3.718 -2.006 -7.628 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.875 -2.400 -7.877 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.492 -0.890 -7.106 1.00 0.45 O ATOM 0 H GLU A 80 2.284 -6.856 -7.061 1.00 0.21 H new ATOM 0 HA GLU A 80 0.525 -4.500 -6.788 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.893 -4.155 -6.283 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.365 -4.865 -7.814 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.491 -3.021 -9.063 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.611 -2.399 -7.681 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.510 -4.808 -9.014 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.112 -4.858 -10.337 1.00 0.23 C ATOM 1242 C ARG A 81 -1.222 -3.451 -10.918 1.00 0.20 C ATOM 1243 O ARG A 81 -2.082 -2.671 -10.514 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.493 -5.520 -10.283 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.138 -5.682 -11.650 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.524 -6.297 -11.549 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.132 -6.501 -12.867 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.397 -6.891 -13.064 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.192 -7.152 -12.028 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.868 -7.026 -14.299 1.00 1.02 N ATOM 0 H ARG A 81 -1.139 -4.491 -8.276 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.471 -5.458 -10.983 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.400 -6.500 -9.815 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.149 -4.924 -9.648 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.206 -4.710 -12.138 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.506 -6.310 -12.278 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.460 -7.252 -11.028 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.165 -5.650 -10.950 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.552 -6.335 -13.689 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.838 -7.055 -11.076 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.155 -7.449 -12.186 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -6.265 -6.832 -15.099 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.832 -7.323 -14.447 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.349 -3.133 -11.859 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.341 -1.820 -12.492 1.00 0.24 C ATOM 1266 C LEU A 82 -1.101 -1.862 -13.818 1.00 0.27 C ATOM 1267 O LEU A 82 -0.919 -2.789 -14.608 1.00 0.40 O ATOM 1268 CB LEU A 82 1.106 -1.366 -12.721 1.00 0.32 C ATOM 1269 CG LEU A 82 1.291 0.113 -13.067 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.783 1.001 -11.941 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.755 0.405 -13.367 1.00 0.54 C ATOM 0 H LEU A 82 0.369 -3.769 -12.205 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.838 -1.107 -11.835 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.682 -1.585 -11.822 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.532 -1.965 -13.526 1.00 0.32 H new ATOM 0 HG LEU A 82 0.704 0.334 -13.958 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.925 2.048 -12.210 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.277 0.810 -11.777 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.337 0.783 -11.028 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.873 1.461 -13.612 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.360 0.165 -12.493 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.081 -0.202 -14.212 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.960 -0.868 -14.053 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.739 -0.801 -15.295 1.00 0.36 C ATOM 1285 C GLU A 83 -2.275 0.363 -16.176 1.00 0.44 C ATOM 1286 O GLU A 83 -2.978 0.763 -17.107 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.232 -0.653 -14.986 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.138 -0.981 -16.166 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.596 -0.669 -15.895 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.285 -1.512 -15.277 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -7.066 0.407 -16.312 1.00 1.24 O ATOM 0 H GLU A 83 -2.135 -0.101 -13.404 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.577 -1.732 -15.838 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.487 -1.306 -14.151 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.427 0.369 -14.663 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.807 -0.418 -17.039 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.038 -2.038 -16.412 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.104 0.919 -15.868 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.526 2.035 -16.626 1.00 0.38 C ATOM 1300 C GLU A 84 -1.349 3.327 -16.487 1.00 0.31 C ATOM 1301 O GLU A 84 -0.790 4.389 -16.205 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.349 1.655 -18.111 1.00 0.50 C ATOM 1303 CG GLU A 84 -1.375 2.276 -19.050 1.00 0.90 C ATOM 1304 CD GLU A 84 -1.166 1.878 -20.495 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.436 2.591 -21.206 1.00 1.23 O ATOM 1306 OE2 GLU A 84 -1.753 0.863 -20.930 1.00 1.14 O ATOM 0 H GLU A 84 -0.527 0.610 -15.086 1.00 0.37 H new ATOM 0 HA GLU A 84 0.456 2.236 -16.197 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.648 1.955 -18.433 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.400 0.570 -18.204 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -2.375 1.977 -18.737 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -1.326 3.362 -18.967 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.663 3.236 -16.684 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.550 4.398 -16.607 1.00 0.37 C ATOM 1315 C ASN A 85 -3.593 4.998 -15.199 1.00 0.29 C ATOM 1316 O ASN A 85 -4.611 4.922 -14.511 1.00 0.33 O ATOM 1317 CB ASN A 85 -4.964 4.016 -17.067 1.00 0.49 C ATOM 1318 CG ASN A 85 -5.954 5.161 -16.932 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.613 6.323 -17.153 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.184 4.841 -16.563 1.00 0.79 N ATOM 0 H ASN A 85 -3.141 2.361 -16.900 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.147 5.161 -17.273 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -4.928 3.693 -18.107 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.315 3.167 -16.481 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -7.889 5.570 -16.452 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.427 3.866 -16.389 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.475 5.592 -14.779 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.362 6.234 -13.464 1.00 0.33 C ATOM 1329 C HIS A 86 -3.115 5.460 -12.377 1.00 0.30 C ATOM 1330 O HIS A 86 -3.741 6.057 -11.499 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.875 7.683 -13.541 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.370 7.811 -13.678 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.020 7.801 -14.895 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.341 7.960 -12.741 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.318 7.938 -14.703 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.541 8.036 -13.407 1.00 0.71 N ATOM 0 H HIS A 86 -1.623 5.643 -15.338 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.308 6.235 -13.187 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.558 8.215 -12.644 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.402 8.178 -14.389 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -4.567 7.703 -15.803 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.197 8.010 -11.672 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.071 7.965 -15.477 1.00 0.78 H new ATOM 1345 N TYR A 87 -3.041 4.134 -12.421 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.730 3.311 -11.439 1.00 0.34 C ATOM 1347 C TYR A 87 -3.106 1.922 -11.333 1.00 0.24 C ATOM 1348 O TYR A 87 -2.543 1.393 -12.300 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.226 3.198 -11.786 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.800 1.809 -11.587 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.285 1.400 -10.351 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -5.826 0.902 -12.635 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.784 0.124 -10.171 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -6.320 -0.374 -12.462 1.00 1.03 C ATOM 1355 CZ TYR A 87 -6.797 -0.760 -11.231 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.285 -2.038 -11.058 1.00 1.27 O ATOM 0 H TYR A 87 -2.515 3.611 -13.121 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.626 3.798 -10.470 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.786 3.903 -11.171 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.371 3.495 -12.825 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -6.272 2.089 -9.519 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -5.453 1.200 -13.604 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -7.162 -0.180 -9.206 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -6.332 -1.067 -13.290 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.223 -2.529 -11.904 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.219 1.349 -10.143 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.711 0.017 -9.857 1.00 0.20 C ATOM 1368 C ASN A 88 -3.565 -0.618 -8.761 1.00 0.20 C ATOM 1369 O ASN A 88 -4.332 0.079 -8.089 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.237 0.075 -9.431 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.057 0.078 -7.924 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.260 1.230 -7.306 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.764 -0.951 -7.320 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.668 1.799 -9.345 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.769 -0.592 -10.759 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.708 -0.780 -9.853 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.779 0.972 -9.848 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.616 -1.819 -7.834 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.669 -0.937 -6.305 1.00 0.24 H new ATOM 1380 N THR A 89 -3.448 -1.923 -8.595 1.00 0.23 N ATOM 1381 CA THR A 89 -4.211 -2.642 -7.587 1.00 0.26 C ATOM 1382 C THR A 89 -3.291 -3.481 -6.696 1.00 0.21 C ATOM 1383 O THR A 89 -2.440 -4.220 -7.195 1.00 0.25 O ATOM 1384 CB THR A 89 -5.273 -3.558 -8.239 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.156 -3.524 -9.675 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.678 -3.135 -7.829 1.00 0.72 C ATOM 0 H THR A 89 -2.827 -2.512 -9.150 1.00 0.23 H new ATOM 0 HA THR A 89 -4.717 -1.897 -6.973 1.00 0.26 H new ATOM 0 HB THR A 89 -5.097 -4.576 -7.891 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.902 -3.013 -10.052 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.408 -3.793 -8.300 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.776 -3.200 -6.745 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.857 -2.108 -8.148 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.471 -3.357 -5.382 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.671 -4.102 -4.411 1.00 0.21 C ATOM 1396 C TYR A 90 -3.534 -5.131 -3.688 1.00 0.23 C ATOM 1397 O TYR A 90 -4.621 -4.802 -3.202 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.051 -3.158 -3.374 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.953 -2.265 -3.906 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.267 -2.791 -4.309 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.130 -0.891 -3.982 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.280 -1.971 -4.776 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.127 -0.065 -4.452 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.077 -0.607 -4.847 1.00 0.31 C ATOM 1405 OH TYR A 90 2.082 0.218 -5.307 1.00 0.36 O ATOM 0 H TYR A 90 -4.169 -2.743 -4.963 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.875 -4.608 -4.957 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.839 -2.532 -2.956 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.650 -3.754 -2.554 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.428 -3.858 -4.257 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.069 -0.459 -3.668 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.224 -2.396 -5.083 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.286 1.002 -4.510 1.00 0.31 H new ATOM 0 HH TYR A 90 2.753 -0.317 -5.781 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.050 -6.367 -3.612 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.781 -7.440 -2.939 1.00 0.26 C ATOM 1417 C ILE A 91 -2.835 -8.343 -2.150 1.00 0.27 C ATOM 1418 O ILE A 91 -1.649 -8.465 -2.483 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.581 -8.304 -3.941 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.678 -8.780 -5.086 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.773 -7.526 -4.484 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.361 -9.729 -6.049 1.00 0.31 C ATOM 0 H ILE A 91 -2.154 -6.652 -4.008 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.478 -6.958 -2.254 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.955 -9.182 -3.415 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.320 -7.912 -5.639 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.802 -9.273 -4.665 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.324 -8.150 -5.188 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.428 -7.242 -3.660 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.421 -6.629 -4.993 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.660 -10.021 -6.830 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.695 -10.616 -5.510 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.221 -9.233 -6.500 1.00 0.31 H new ATOM 1434 N SER A 92 -3.364 -8.962 -1.097 1.00 0.33 N ATOM 1435 CA SER A 92 -2.588 -9.865 -0.253 1.00 0.37 C ATOM 1436 C SER A 92 -2.227 -11.136 -1.024 1.00 0.31 C ATOM 1437 O SER A 92 -3.088 -11.974 -1.289 1.00 0.44 O ATOM 1438 CB SER A 92 -3.380 -10.217 1.006 1.00 0.50 C ATOM 1439 OG SER A 92 -3.931 -9.053 1.601 1.00 0.82 O ATOM 0 H SER A 92 -4.336 -8.853 -0.807 1.00 0.33 H new ATOM 0 HA SER A 92 -1.666 -9.364 0.040 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.179 -10.914 0.754 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.729 -10.722 1.720 1.00 0.50 H new ATOM 0 HG SER A 92 -3.565 -8.942 2.503 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.948 -11.275 -1.361 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.461 -12.424 -2.125 1.00 0.31 C ATOM 1447 C LYS A 93 -0.770 -13.752 -1.431 1.00 0.29 C ATOM 1448 O LYS A 93 -1.482 -14.594 -1.978 1.00 0.35 O ATOM 1449 CB LYS A 93 1.052 -12.294 -2.361 1.00 0.42 C ATOM 1450 CG LYS A 93 1.547 -12.985 -3.625 1.00 0.55 C ATOM 1451 CD LYS A 93 1.526 -14.502 -3.496 1.00 0.74 C ATOM 1452 CE LYS A 93 2.464 -14.997 -2.403 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.378 -16.063 -2.893 1.00 0.80 N ATOM 0 H LYS A 93 -0.223 -10.601 -1.115 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.984 -12.426 -3.081 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.311 -11.236 -2.413 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.580 -12.710 -1.502 1.00 0.42 H new ATOM 0 HG2 LYS A 93 0.925 -12.685 -4.468 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.562 -12.655 -3.844 1.00 0.55 H new ATOM 0 HD2 LYS A 93 0.510 -14.833 -3.279 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.811 -14.950 -4.448 1.00 0.74 H new ATOM 0 HE2 LYS A 93 3.052 -14.161 -2.024 1.00 0.80 H new ATOM 0 HE3 LYS A 93 1.877 -15.378 -1.567 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 3.656 -16.674 -2.099 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.892 -16.633 -3.614 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 4.226 -15.629 -3.309 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.236 -13.934 -0.224 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.432 -15.177 0.524 1.00 0.31 C ATOM 1469 C LYS A 94 -1.914 -15.503 0.737 1.00 0.31 C ATOM 1470 O LYS A 94 -2.292 -16.676 0.765 1.00 0.56 O ATOM 1471 CB LYS A 94 0.280 -15.112 1.881 1.00 0.36 C ATOM 1472 CG LYS A 94 0.235 -16.427 2.646 1.00 0.55 C ATOM 1473 CD LYS A 94 1.035 -16.365 3.938 1.00 0.55 C ATOM 1474 CE LYS A 94 0.436 -15.371 4.924 1.00 0.63 C ATOM 1475 NZ LYS A 94 0.898 -15.609 6.320 1.00 0.69 N ATOM 0 H LYS A 94 0.335 -13.239 0.257 1.00 0.28 H new ATOM 0 HA LYS A 94 0.002 -15.975 -0.079 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.320 -14.826 1.725 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -0.178 -14.331 2.487 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.801 -16.678 2.873 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.626 -17.226 2.016 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.068 -17.355 4.394 1.00 0.55 H new ATOM 0 HD3 LYS A 94 2.064 -16.082 3.716 1.00 0.55 H new ATOM 0 HE2 LYS A 94 0.704 -14.358 4.623 1.00 0.63 H new ATOM 0 HE3 LYS A 94 -0.651 -15.437 4.888 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.087 -15.876 6.914 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 1.599 -16.377 6.327 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.331 -14.741 6.695 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.753 -14.478 0.863 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.181 -14.693 1.096 1.00 0.28 C ATOM 1491 C HIS A 95 -4.978 -14.576 -0.202 1.00 0.27 C ATOM 1492 O HIS A 95 -5.945 -13.817 -0.272 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.729 -13.694 2.126 1.00 0.36 C ATOM 1494 CG HIS A 95 -4.006 -13.702 3.436 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.386 -14.479 4.509 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.915 -13.015 3.843 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.561 -14.268 5.516 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.661 -13.383 5.136 1.00 0.50 N ATOM 0 H HIS A 95 -2.474 -13.498 0.809 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.294 -15.704 1.487 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.680 -12.690 1.703 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.782 -13.914 2.304 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.349 -12.307 3.256 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.614 -14.740 6.486 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.898 -13.029 5.713 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.582 -15.338 -1.220 1.00 0.31 N ATOM 1508 CA ALA A 96 -5.278 -15.319 -2.512 1.00 0.35 C ATOM 1509 C ALA A 96 -6.788 -15.468 -2.317 1.00 0.34 C ATOM 1510 O ALA A 96 -7.586 -14.842 -3.022 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.748 -16.425 -3.414 1.00 0.44 C ATOM 0 H ALA A 96 -3.786 -15.975 -1.179 1.00 0.31 H new ATOM 0 HA ALA A 96 -5.089 -14.357 -2.989 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -5.273 -16.399 -4.369 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.681 -16.277 -3.583 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.909 -17.392 -2.937 1.00 0.44 H new ATOM 1517 N GLU A 97 -7.169 -16.300 -1.348 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.577 -16.537 -1.033 1.00 0.38 C ATOM 1519 C GLU A 97 -9.272 -15.245 -0.596 1.00 0.37 C ATOM 1520 O GLU A 97 -10.453 -15.042 -0.878 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.703 -17.583 0.081 1.00 0.46 C ATOM 1522 CG GLU A 97 -8.132 -18.946 -0.280 1.00 0.57 C ATOM 1523 CD GLU A 97 -9.002 -19.707 -1.258 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.995 -20.322 -0.820 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -8.686 -19.706 -2.467 1.00 0.93 O ATOM 0 H GLU A 97 -6.517 -16.824 -0.764 1.00 0.34 H new ATOM 0 HA GLU A 97 -9.062 -16.905 -1.937 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -8.195 -17.213 0.972 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.756 -17.699 0.339 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -7.139 -18.816 -0.709 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -8.012 -19.537 0.628 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.530 -14.373 0.081 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.068 -13.110 0.570 1.00 0.38 C ATOM 1534 C LYS A 98 -8.363 -11.928 -0.092 1.00 0.37 C ATOM 1535 O LYS A 98 -7.914 -10.997 0.582 1.00 0.47 O ATOM 1536 CB LYS A 98 -8.921 -13.029 2.094 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.887 -13.921 2.855 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.655 -13.827 4.353 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.815 -14.415 5.138 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.674 -14.174 6.599 1.00 0.89 N ATOM 0 H LYS A 98 -7.546 -14.521 0.304 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.126 -13.064 0.313 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -7.901 -13.300 2.365 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.071 -11.996 2.409 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.912 -13.632 2.624 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.766 -14.954 2.529 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -8.736 -14.352 4.613 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -9.516 -12.783 4.635 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -11.750 -13.978 4.786 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -10.874 -15.487 4.951 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.485 -14.590 7.099 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -9.795 -14.612 6.940 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.644 -13.150 6.781 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.274 -11.972 -1.417 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.632 -10.910 -2.189 1.00 0.48 C ATOM 1556 C ASN A 99 -8.477 -9.632 -2.168 1.00 0.44 C ATOM 1557 O ASN A 99 -8.979 -9.181 -3.200 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.386 -11.367 -3.637 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.656 -11.820 -4.346 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.538 -12.440 -3.741 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.761 -11.515 -5.632 1.00 1.07 N ATOM 0 H ASN A 99 -8.641 -12.737 -1.984 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.670 -10.690 -1.726 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.936 -10.548 -4.198 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.666 -12.186 -3.636 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -9.591 -11.793 -6.156 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -8.012 -11.002 -6.097 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.634 -9.057 -0.981 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.411 -7.837 -0.816 1.00 0.32 C ATOM 1570 C TRP A 100 -8.547 -6.610 -1.108 1.00 0.32 C ATOM 1571 O TRP A 100 -7.417 -6.506 -0.627 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.983 -7.752 0.601 1.00 0.38 C ATOM 1573 CG TRP A 100 -11.077 -8.734 0.879 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.988 -9.869 1.634 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.428 -8.666 0.412 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.203 -10.506 1.668 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -13.103 -9.788 0.928 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -13.136 -7.765 -0.388 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.449 -10.031 0.668 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.471 -8.007 -0.644 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -15.116 -9.131 -0.117 1.00 1.08 C ATOM 0 H TRP A 100 -8.231 -9.419 -0.117 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.238 -7.860 -1.525 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.176 -7.911 1.317 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.363 -6.744 0.768 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -10.093 -10.214 2.131 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.403 -11.374 2.165 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.647 -6.894 -0.799 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.949 -10.899 1.072 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -15.027 -7.317 -1.262 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -16.162 -9.291 -0.334 1.00 1.08 H new ATOM 1592 N PHE A 101 -9.084 -5.693 -1.905 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.367 -4.471 -2.273 1.00 0.29 C ATOM 1594 C PHE A 101 -8.115 -3.586 -1.052 1.00 0.29 C ATOM 1595 O PHE A 101 -9.017 -3.361 -0.236 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.153 -3.681 -3.323 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.519 -4.484 -4.537 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.544 -4.886 -5.435 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.836 -4.837 -4.780 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.878 -5.627 -6.551 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -11.176 -5.575 -5.893 1.00 0.64 C ATOM 1602 CZ PHE A 101 -10.195 -5.972 -6.782 1.00 0.64 C ATOM 0 H PHE A 101 -10.016 -5.770 -2.311 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.405 -4.769 -2.691 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -10.064 -3.295 -2.866 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.562 -2.819 -3.633 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.513 -4.617 -5.260 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.606 -4.530 -4.088 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -8.109 -5.937 -7.243 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -12.207 -5.843 -6.070 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.458 -6.551 -7.655 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.890 -3.074 -0.946 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.495 -2.213 0.170 1.00 0.35 C ATOM 1614 C VAL A 102 -7.110 -0.808 0.042 1.00 0.55 C ATOM 1615 O VAL A 102 -8.159 -0.635 -0.589 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.951 -2.111 0.272 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.331 -3.490 0.452 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.364 -1.410 -0.950 1.00 0.82 C ATOM 0 H VAL A 102 -6.148 -3.242 -1.625 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.877 -2.670 1.083 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.712 -1.510 1.150 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.247 -3.395 0.521 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.715 -3.945 1.365 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.587 -4.118 -0.401 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.280 -1.353 -0.851 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.617 -1.973 -1.849 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.775 -0.403 -1.024 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.480 0.188 0.669 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.976 1.550 0.599 1.00 0.46 C ATOM 1630 C GLY A 103 -7.069 2.192 1.968 1.00 0.41 C ATOM 1631 O GLY A 103 -7.610 1.588 2.902 1.00 0.59 O ATOM 0 H GLY A 103 -5.633 0.071 1.225 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.318 2.143 -0.035 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.960 1.554 0.129 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.536 3.404 2.092 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.561 4.130 3.356 1.00 0.34 C ATOM 1637 C LEU A 104 -7.219 5.495 3.173 1.00 0.34 C ATOM 1638 O LEU A 104 -7.260 6.029 2.064 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.140 4.296 3.914 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.217 5.204 3.092 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.721 6.370 3.939 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.042 4.414 2.537 1.00 0.66 C ATOM 0 H LEU A 104 -6.080 3.905 1.329 1.00 0.37 H new ATOM 0 HA LEU A 104 -7.147 3.552 4.071 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.209 4.695 4.926 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.680 3.311 3.991 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.789 5.603 2.254 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.068 7.003 3.339 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.572 6.954 4.288 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -3.168 5.987 4.797 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.400 5.077 1.957 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.471 3.984 3.360 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.412 3.614 1.895 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.742 6.046 4.260 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.396 7.344 4.218 1.00 0.41 C ATOM 1656 C LYS A 105 -7.473 8.429 4.761 1.00 0.32 C ATOM 1657 O LYS A 105 -6.771 8.220 5.752 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.698 7.318 5.023 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.729 8.328 4.542 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.362 7.899 3.226 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.577 8.751 2.877 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.208 10.022 2.190 1.00 0.60 N ATOM 0 H LYS A 105 -7.725 5.612 5.183 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.630 7.570 3.178 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -10.129 6.318 4.970 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.472 7.513 6.071 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.505 8.445 5.299 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.255 9.302 4.418 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.624 7.973 2.427 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.659 6.852 3.290 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -13.247 8.177 2.236 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.128 8.982 3.789 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -13.067 10.481 1.825 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.736 10.657 2.865 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.564 9.815 1.400 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.493 9.587 4.102 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.670 10.743 4.482 1.00 0.46 C ATOM 1678 C LYS A 106 -6.578 10.926 5.999 1.00 0.51 C ATOM 1679 O LYS A 106 -5.513 11.257 6.523 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.238 12.017 3.847 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.715 12.243 4.150 1.00 0.67 C ATOM 1682 CD LYS A 106 -9.277 13.408 3.354 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.768 13.589 3.606 1.00 1.14 C ATOM 1684 NZ LYS A 106 -11.337 14.720 2.827 1.00 1.43 N ATOM 0 H LYS A 106 -8.082 9.754 3.286 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.662 10.553 4.114 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.667 12.875 4.202 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -7.101 11.967 2.767 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.277 11.338 3.918 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.843 12.434 5.215 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.748 14.322 3.623 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -9.104 13.241 2.291 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -11.293 12.670 3.345 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.937 13.761 4.669 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -12.353 14.805 3.030 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.855 15.602 3.094 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -11.201 14.545 1.811 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.692 10.714 6.696 1.00 0.53 N ATOM 1699 CA ASN A 107 -7.730 10.860 8.153 1.00 0.70 C ATOM 1700 C ASN A 107 -6.660 10.002 8.835 1.00 0.65 C ATOM 1701 O ASN A 107 -6.177 10.346 9.916 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.119 10.485 8.685 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.173 10.389 10.203 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -8.969 9.318 10.777 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -9.443 11.506 10.864 1.00 1.38 N ATOM 0 H ASN A 107 -8.581 10.441 6.278 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.521 11.904 8.387 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -9.843 11.227 8.348 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.420 9.529 8.256 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -9.487 11.498 11.883 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -9.606 12.374 10.354 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.282 8.899 8.198 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.293 8.012 8.768 1.00 0.55 C ATOM 1714 C GLY A 108 -5.918 6.712 9.214 1.00 0.52 C ATOM 1715 O GLY A 108 -6.029 6.444 10.410 1.00 1.00 O ATOM 0 H GLY A 108 -6.647 8.605 7.292 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.514 7.811 8.032 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -4.812 8.497 9.617 1.00 0.55 H new ATOM 1719 N SER A 109 -6.358 5.916 8.249 1.00 0.52 N ATOM 1720 CA SER A 109 -6.988 4.638 8.533 1.00 0.56 C ATOM 1721 C SER A 109 -7.222 3.854 7.248 1.00 0.51 C ATOM 1722 O SER A 109 -7.694 4.407 6.251 1.00 0.81 O ATOM 1723 CB SER A 109 -8.313 4.850 9.268 1.00 0.75 C ATOM 1724 OG SER A 109 -8.117 4.921 10.669 1.00 0.97 O ATOM 0 H SER A 109 -6.288 6.137 7.256 1.00 0.52 H new ATOM 0 HA SER A 109 -6.318 4.062 9.172 1.00 0.56 H new ATOM 0 HB2 SER A 109 -8.783 5.769 8.917 1.00 0.75 H new ATOM 0 HB3 SER A 109 -8.996 4.033 9.035 1.00 0.75 H new ATOM 0 HG SER A 109 -7.498 5.652 10.876 1.00 0.97 H new ATOM 1730 N CYS A 110 -6.889 2.573 7.279 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.054 1.710 6.118 1.00 0.38 C ATOM 1732 C CYS A 110 -8.442 1.078 6.103 1.00 0.36 C ATOM 1733 O CYS A 110 -9.076 0.915 7.154 1.00 0.54 O ATOM 1734 CB CYS A 110 -5.982 0.618 6.113 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.291 1.250 6.061 1.00 0.61 S ATOM 0 H CYS A 110 -6.501 2.106 8.099 1.00 0.37 H new ATOM 0 HA CYS A 110 -6.944 2.321 5.222 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.101 0.002 7.004 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.143 -0.031 5.252 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.545 0.559 6.871 1.00 0.61 H new ATOM 1741 N LYS A 111 -8.920 0.743 4.912 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.223 0.115 4.755 1.00 0.44 C ATOM 1743 C LYS A 111 -10.123 -1.096 3.836 1.00 0.47 C ATOM 1744 O LYS A 111 -10.392 -1.008 2.633 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.257 1.118 4.228 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.468 2.308 5.151 1.00 0.69 C ATOM 1747 CD LYS A 111 -11.949 1.868 6.526 1.00 0.79 C ATOM 1748 CE LYS A 111 -11.485 2.823 7.616 1.00 0.94 C ATOM 1749 NZ LYS A 111 -10.874 2.099 8.766 1.00 1.27 N ATOM 0 H LYS A 111 -8.421 0.897 4.036 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.558 -0.225 5.735 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -10.937 1.478 3.250 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.208 0.606 4.084 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.535 2.862 5.251 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.197 2.988 4.710 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.038 1.812 6.530 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.578 0.865 6.738 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -10.760 3.523 7.201 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -12.332 3.413 7.967 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -10.648 2.776 9.522 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -11.544 1.389 9.125 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.002 1.625 8.454 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.683 -2.211 4.413 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.547 -3.472 3.688 1.00 0.36 C ATOM 1765 C ARG A 112 -10.484 -4.518 4.293 1.00 0.37 C ATOM 1766 O ARG A 112 -11.107 -5.300 3.574 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.095 -3.965 3.739 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.655 -4.724 2.494 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.254 -6.118 2.438 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.606 -7.042 3.377 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.250 -7.786 4.289 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -9.577 -7.730 4.399 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -7.561 -8.598 5.089 1.00 1.57 N ATOM 0 H ARG A 112 -9.411 -2.266 5.395 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.818 -3.312 2.645 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.436 -3.109 3.882 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.972 -4.611 4.608 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.951 -4.166 1.606 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.567 -4.796 2.478 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.319 -6.063 2.663 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.162 -6.510 1.425 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.590 -7.124 3.333 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.114 -7.117 3.786 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.055 -8.300 5.096 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -6.546 -8.653 5.008 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.049 -9.164 5.783 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.567 -4.531 5.622 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.436 -5.465 6.314 1.00 0.43 C ATOM 1789 C GLY A 113 -12.895 -5.022 6.323 1.00 0.41 C ATOM 1790 O GLY A 113 -13.775 -5.800 5.949 1.00 0.46 O ATOM 0 H GLY A 113 -10.043 -3.906 6.234 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.361 -6.443 5.839 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.091 -5.582 7.341 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.185 -3.772 6.739 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.560 -3.253 6.795 1.00 0.50 C ATOM 1796 C PRO A 114 -15.333 -3.495 5.499 1.00 0.41 C ATOM 1797 O PRO A 114 -16.408 -4.100 5.510 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.365 -1.752 7.032 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.049 -1.646 7.723 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.202 -2.771 7.194 1.00 0.52 C ATOM 0 HA PRO A 114 -15.148 -3.748 7.568 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.365 -1.200 6.092 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.168 -1.340 7.644 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.582 -0.681 7.524 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.170 -1.725 8.803 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.562 -2.439 6.376 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.548 -3.176 7.966 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.770 -3.032 4.386 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.396 -3.183 3.078 1.00 0.39 C ATOM 1810 C ARG A 115 -14.514 -2.550 2.009 1.00 0.44 C ATOM 1811 O ARG A 115 -13.922 -1.492 2.233 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.781 -2.526 3.070 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.521 -2.660 1.749 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.794 -1.829 1.740 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.508 -0.401 1.899 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.404 0.512 2.284 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.668 0.166 2.505 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -19.034 1.780 2.442 1.00 1.47 N ATOM 0 H ARG A 115 -13.874 -2.545 4.366 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.513 -4.245 2.865 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.387 -2.969 3.861 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.671 -1.468 3.308 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -16.872 -2.343 0.933 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.767 -3.707 1.572 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.328 -1.991 0.804 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.451 -2.161 2.544 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.559 -0.082 1.702 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.961 -0.803 2.381 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.345 0.870 2.799 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -18.067 2.054 2.269 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.717 2.478 2.736 1.00 1.47 H new ATOM 1832 N THR A 116 -14.420 -3.198 0.858 1.00 0.36 N ATOM 1833 CA THR A 116 -13.610 -2.693 -0.237 1.00 0.38 C ATOM 1834 C THR A 116 -14.199 -3.137 -1.584 1.00 0.39 C ATOM 1835 O THR A 116 -14.336 -4.332 -1.856 1.00 0.51 O ATOM 1836 CB THR A 116 -12.133 -3.145 -0.083 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.245 -2.151 -0.623 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.872 -4.490 -0.755 1.00 0.58 C ATOM 0 H THR A 116 -14.897 -4.077 0.659 1.00 0.36 H new ATOM 0 HA THR A 116 -13.622 -1.603 -0.209 1.00 0.38 H new ATOM 0 HB THR A 116 -11.943 -3.263 0.984 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.319 -2.388 -0.408 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.826 -4.766 -0.622 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.509 -5.251 -0.305 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.095 -4.414 -1.819 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.585 -2.156 -2.392 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.175 -2.386 -3.714 1.00 0.39 C ATOM 1848 C HIS A 117 -15.665 -1.055 -4.269 1.00 0.36 C ATOM 1849 O HIS A 117 -15.215 -0.602 -5.324 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.339 -3.387 -3.645 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.971 -4.786 -4.051 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.641 -5.901 -3.594 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -14.997 -5.249 -4.875 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.097 -6.985 -4.116 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.098 -6.618 -4.897 1.00 0.89 N ATOM 0 H HIS A 117 -14.498 -1.169 -2.150 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.415 -2.812 -4.368 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.727 -3.406 -2.627 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.146 -3.034 -4.287 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.276 -4.651 -5.413 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.416 -8.001 -3.935 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.499 -7.249 -5.430 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.584 -0.429 -3.538 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.118 0.867 -3.926 1.00 0.41 C ATOM 1866 C TYR A 118 -16.148 1.959 -3.504 1.00 0.39 C ATOM 1867 O TYR A 118 -15.319 1.747 -2.611 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.493 1.104 -3.297 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.600 0.307 -3.950 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.736 0.276 -5.334 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -20.513 -0.412 -3.187 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -20.747 -0.445 -5.936 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -21.527 -1.138 -3.784 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.639 -1.150 -5.158 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.651 -1.867 -5.759 1.00 1.05 O ATOM 0 H TYR A 118 -16.973 -0.802 -2.672 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.239 0.887 -5.009 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.448 0.849 -2.238 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.734 2.165 -3.359 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.038 0.826 -5.948 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -20.429 -0.403 -2.110 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -20.839 -0.457 -7.012 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -22.227 -1.693 -3.177 1.00 0.87 H new ATOM 0 HH TYR A 118 -23.192 -2.308 -5.071 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.262 3.123 -4.128 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.365 4.215 -3.816 1.00 0.39 C ATOM 1887 C GLY A 119 -14.014 4.013 -4.477 1.00 0.37 C ATOM 1888 O GLY A 119 -13.319 3.032 -4.192 1.00 0.44 O ATOM 0 H GLY A 119 -16.959 3.330 -4.844 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.801 5.156 -4.151 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.238 4.289 -2.736 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.640 4.938 -5.357 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.370 4.856 -6.088 1.00 0.38 C ATOM 1894 C GLN A 120 -11.215 4.381 -5.202 1.00 0.37 C ATOM 1895 O GLN A 120 -10.336 3.662 -5.672 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.028 6.206 -6.720 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.996 6.618 -7.817 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.642 7.953 -8.431 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.955 8.020 -9.451 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.102 9.027 -7.816 1.00 1.00 N ATOM 0 H GLN A 120 -14.200 5.760 -5.585 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.503 4.112 -6.873 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.022 6.972 -5.944 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.020 6.162 -7.132 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.004 5.855 -8.595 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.005 6.666 -7.407 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.668 8.929 -6.973 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.891 9.955 -8.184 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.225 4.766 -3.923 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.165 4.361 -2.993 1.00 0.61 C ATOM 1911 C LYS A 121 -9.930 2.847 -3.045 1.00 0.58 C ATOM 1912 O LYS A 121 -8.815 2.379 -2.830 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.507 4.778 -1.551 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.374 3.777 -0.791 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.551 2.637 -0.185 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.354 1.344 -0.118 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.502 0.152 0.158 1.00 1.70 N ATOM 0 H LYS A 121 -11.949 5.353 -3.509 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.252 4.869 -3.303 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.579 4.927 -1.000 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.021 5.739 -1.576 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -11.912 4.295 0.003 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.123 3.362 -1.466 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.653 2.478 -0.782 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.223 2.916 0.817 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -12.112 1.432 0.660 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.881 1.199 -1.061 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.968 -0.701 -0.211 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.579 0.270 -0.306 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.364 0.054 1.184 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.991 2.089 -3.321 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.898 0.636 -3.381 1.00 0.65 C ATOM 1933 C ALA A 122 -10.094 0.176 -4.592 1.00 0.57 C ATOM 1934 O ALA A 122 -9.405 -0.843 -4.534 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.292 0.023 -3.404 1.00 0.77 C ATOM 0 H ALA A 122 -11.923 2.460 -3.506 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.373 0.296 -2.488 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -12.211 -1.063 -3.449 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.831 0.310 -2.501 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.833 0.383 -4.279 1.00 0.77 H new ATOM 1941 N ILE A 123 -10.177 0.928 -5.684 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.467 0.579 -6.906 1.00 0.48 C ATOM 1943 C ILE A 123 -8.948 1.833 -7.617 1.00 0.41 C ATOM 1944 O ILE A 123 -9.440 2.203 -8.691 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.373 -0.234 -7.869 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.001 -1.438 -7.153 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.589 -0.703 -9.084 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.328 -1.133 -6.490 1.00 0.79 C ATOM 0 H ILE A 123 -10.729 1.783 -5.747 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.617 -0.041 -6.622 1.00 0.48 H new ATOM 0 HB ILE A 123 -11.174 0.426 -8.203 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.142 -2.244 -7.873 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.304 -1.804 -6.399 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.245 -1.270 -9.744 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -9.196 0.161 -9.619 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.763 -1.337 -8.762 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.708 -2.033 -6.006 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.191 -0.350 -5.744 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -13.042 -0.797 -7.242 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.960 2.492 -7.007 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.368 3.697 -7.586 1.00 0.29 C ATOM 1962 C LEU A 124 -6.169 4.176 -6.762 1.00 0.26 C ATOM 1963 O LEU A 124 -6.230 5.205 -6.082 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.416 4.813 -7.708 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.984 6.030 -8.532 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.440 5.596 -9.886 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.149 6.992 -8.709 1.00 0.58 C ATOM 0 H LEU A 124 -7.555 2.211 -6.114 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.012 3.445 -8.585 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.318 4.394 -8.154 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.683 5.149 -6.706 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.189 6.545 -7.993 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.139 6.475 -10.456 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.578 4.945 -9.740 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.213 5.057 -10.433 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.825 7.851 -9.297 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.964 6.485 -9.226 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.494 7.330 -7.732 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.083 3.411 -6.821 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.857 3.746 -6.100 1.00 0.23 C ATOM 1981 C PHE A 125 -2.780 4.174 -7.092 1.00 0.17 C ATOM 1982 O PHE A 125 -2.542 3.478 -8.084 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.360 2.544 -5.286 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.440 1.825 -4.528 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.016 2.393 -3.401 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.878 0.578 -4.944 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.008 1.728 -2.708 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.869 -0.091 -4.253 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.434 0.485 -3.133 1.00 0.54 C ATOM 0 H PHE A 125 -5.026 2.549 -7.364 1.00 0.20 H new ATOM 0 HA PHE A 125 -4.071 4.565 -5.414 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.874 1.839 -5.960 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.602 2.885 -4.581 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.686 3.364 -3.063 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.439 0.123 -5.820 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.451 2.180 -1.833 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.201 -1.062 -4.588 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.208 -0.036 -2.590 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.128 5.301 -6.826 1.00 0.18 N ATOM 2000 CA LEU A 126 -1.089 5.812 -7.715 1.00 0.19 C ATOM 2001 C LEU A 126 0.283 5.808 -7.033 1.00 0.20 C ATOM 2002 O LEU A 126 0.628 6.738 -6.301 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.447 7.227 -8.183 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.460 7.855 -9.168 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.393 7.040 -10.452 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.851 9.295 -9.467 1.00 0.59 C ATOM 0 H LEU A 126 -2.300 5.878 -6.003 1.00 0.18 H new ATOM 0 HA LEU A 126 -1.031 5.152 -8.581 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.433 7.200 -8.648 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.524 7.873 -7.309 1.00 0.32 H new ATOM 0 HG LEU A 126 0.530 7.855 -8.711 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.314 7.503 -11.140 1.00 0.44 H new ATOM 0 HD12 LEU A 126 -0.066 6.026 -10.223 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.380 7.007 -10.914 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.138 9.727 -10.169 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.850 9.318 -9.903 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.845 9.873 -8.543 1.00 0.59 H new ATOM 2018 N PRO A 127 1.070 4.741 -7.239 1.00 0.21 N ATOM 2019 CA PRO A 127 2.399 4.611 -6.677 1.00 0.29 C ATOM 2020 C PRO A 127 3.477 4.995 -7.689 1.00 0.25 C ATOM 2021 O PRO A 127 3.200 5.104 -8.885 1.00 0.38 O ATOM 2022 CB PRO A 127 2.458 3.116 -6.371 1.00 0.42 C ATOM 2023 CG PRO A 127 1.624 2.472 -7.438 1.00 0.43 C ATOM 2024 CD PRO A 127 0.729 3.548 -8.022 1.00 0.32 C ATOM 0 HA PRO A 127 2.574 5.257 -5.817 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.484 2.748 -6.395 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.065 2.900 -5.378 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.258 2.038 -8.211 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.027 1.660 -7.022 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.922 3.697 -9.084 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.325 3.291 -7.922 1.00 0.32 H new ATOM 2032 N LEU A 128 4.701 5.209 -7.219 1.00 0.22 N ATOM 2033 CA LEU A 128 5.793 5.558 -8.121 1.00 0.21 C ATOM 2034 C LEU A 128 6.102 4.371 -9.034 1.00 0.23 C ATOM 2035 O LEU A 128 6.107 3.223 -8.579 1.00 0.26 O ATOM 2036 CB LEU A 128 7.047 5.970 -7.343 1.00 0.23 C ATOM 2037 CG LEU A 128 8.010 6.881 -8.110 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.335 8.197 -8.465 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.264 7.137 -7.296 1.00 0.37 C ATOM 0 H LEU A 128 4.960 5.148 -6.234 1.00 0.22 H new ATOM 0 HA LEU A 128 5.483 6.411 -8.725 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.739 6.478 -6.429 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.583 5.070 -7.043 1.00 0.23 H new ATOM 0 HG LEU A 128 8.292 6.376 -9.034 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.036 8.830 -9.009 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.462 8.002 -9.088 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.022 8.704 -7.552 1.00 0.38 H new ATOM 0 HD21 LEU A 128 9.936 7.786 -7.857 1.00 0.37 H new ATOM 0 HD22 LEU A 128 8.995 7.619 -6.356 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.763 6.190 -7.089 1.00 0.37 H new ATOM 2051 N PRO A 129 6.364 4.633 -10.328 1.00 0.27 N ATOM 2052 CA PRO A 129 6.659 3.583 -11.312 1.00 0.33 C ATOM 2053 C PRO A 129 7.659 2.548 -10.797 1.00 0.33 C ATOM 2054 O PRO A 129 7.523 1.355 -11.078 1.00 0.67 O ATOM 2055 CB PRO A 129 7.253 4.365 -12.483 1.00 0.45 C ATOM 2056 CG PRO A 129 6.615 5.708 -12.403 1.00 0.47 C ATOM 2057 CD PRO A 129 6.389 5.979 -10.939 1.00 0.30 C ATOM 0 HA PRO A 129 5.771 3.004 -11.566 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.338 4.436 -12.402 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.036 3.879 -13.434 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.256 6.470 -12.846 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.673 5.725 -12.952 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.185 6.594 -10.519 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.453 6.511 -10.771 1.00 0.30 H new ATOM 2065 N VAL A 130 8.664 3.008 -10.053 1.00 0.37 N ATOM 2066 CA VAL A 130 9.686 2.117 -9.504 1.00 0.35 C ATOM 2067 C VAL A 130 9.059 0.827 -8.965 1.00 0.38 C ATOM 2068 O VAL A 130 8.171 0.859 -8.105 1.00 0.57 O ATOM 2069 CB VAL A 130 10.514 2.804 -8.393 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.384 3.908 -8.979 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.611 3.358 -7.300 1.00 0.44 C ATOM 0 H VAL A 130 8.793 3.992 -9.816 1.00 0.37 H new ATOM 0 HA VAL A 130 10.361 1.868 -10.323 1.00 0.35 H new ATOM 0 HB VAL A 130 11.164 2.053 -7.944 1.00 0.40 H new ATOM 0 HG11 VAL A 130 11.959 4.380 -8.182 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.066 3.482 -9.715 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.751 4.654 -9.460 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.220 3.835 -6.532 1.00 0.44 H new ATOM 0 HG22 VAL A 130 8.928 4.091 -7.729 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.038 2.545 -6.855 1.00 0.44 H new ATOM 2081 N SER A 131 9.510 -0.304 -9.493 1.00 0.34 N ATOM 2082 CA SER A 131 8.997 -1.606 -9.092 1.00 0.40 C ATOM 2083 C SER A 131 9.822 -2.720 -9.740 1.00 0.39 C ATOM 2084 O SER A 131 10.802 -2.442 -10.440 1.00 0.47 O ATOM 2085 CB SER A 131 7.521 -1.722 -9.505 1.00 0.50 C ATOM 2086 OG SER A 131 7.322 -1.237 -10.829 1.00 0.88 O ATOM 0 H SER A 131 10.237 -0.344 -10.207 1.00 0.34 H new ATOM 0 HA SER A 131 9.074 -1.708 -8.009 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.203 -2.763 -9.444 1.00 0.50 H new ATOM 0 HB3 SER A 131 6.900 -1.157 -8.810 1.00 0.50 H new ATOM 0 HG SER A 131 7.064 -0.292 -10.796 1.00 0.88 H new ATOM 2092 N SER A 132 9.442 -3.969 -9.497 1.00 0.48 N ATOM 2093 CA SER A 132 10.139 -5.108 -10.077 1.00 0.54 C ATOM 2094 C SER A 132 9.357 -5.644 -11.274 1.00 0.49 C ATOM 2095 O SER A 132 8.155 -5.397 -11.403 1.00 0.96 O ATOM 2096 CB SER A 132 10.345 -6.209 -9.031 1.00 0.76 C ATOM 2097 OG SER A 132 11.362 -5.851 -8.107 1.00 1.03 O ATOM 0 H SER A 132 8.653 -4.218 -8.901 1.00 0.48 H new ATOM 0 HA SER A 132 11.121 -4.779 -10.417 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.411 -6.388 -8.498 1.00 0.76 H new ATOM 0 HB3 SER A 132 10.612 -7.142 -9.528 1.00 0.76 H new ATOM 0 HG SER A 132 11.477 -4.878 -8.108 1.00 1.03 H new ATOM 2103 N ASP A 133 10.049 -6.355 -12.152 1.00 0.56 N ATOM 2104 CA ASP A 133 9.434 -6.924 -13.344 1.00 0.58 C ATOM 2105 C ASP A 133 10.389 -7.910 -13.994 1.00 0.63 C ATOM 2106 O ASP A 133 11.489 -7.481 -14.399 1.00 0.80 O ATOM 2107 CB ASP A 133 9.055 -5.820 -14.341 1.00 0.80 C ATOM 2108 CG ASP A 133 8.768 -6.361 -15.731 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.759 -7.072 -15.907 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.546 -6.059 -16.664 1.00 1.07 O ATOM 2111 OXT ASP A 133 10.052 -9.108 -14.074 1.00 0.75 O ATOM 0 H ASP A 133 11.045 -6.553 -12.060 1.00 0.56 H new ATOM 0 HA ASP A 133 8.523 -7.446 -13.050 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.177 -5.289 -13.973 1.00 0.80 H new ATOM 0 HB3 ASP A 133 9.866 -5.093 -14.398 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.369 4.207 3.820 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.388 3.894 2.317 1.00 3.47 C HETATM 2119 C3 IHP A 134 -17.053 5.057 1.545 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.235 6.337 1.772 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.190 6.676 3.271 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.572 5.506 4.057 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.745 3.138 4.546 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.545 2.355 5.718 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.836 1.775 5.277 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.761 3.424 6.896 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.552 1.232 6.297 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.090 3.689 1.815 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.679 2.274 1.157 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.733 1.573 2.061 1.00 4.60 O HETATM 2131 O32 IHP A 134 -16.038 1.440 0.961 1.00 4.76 O HETATM 2132 O42 IHP A 134 -14.037 2.609 -0.266 1.00 4.45 O HETATM 2133 O13 IHP A 134 -17.067 4.763 0.149 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.450 4.708 -0.680 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.316 5.833 -0.253 1.00 5.53 O HETATM 2136 O33 IHP A 134 -19.103 3.279 -0.340 1.00 5.46 O HETATM 2137 O43 IHP A 134 -18.107 4.796 -2.248 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.839 7.431 1.075 1.00 4.60 O HETATM 2139 P4 IHP A 134 -16.021 8.232 -0.063 1.00 5.38 P HETATM 2140 O24 IHP A 134 -16.155 7.531 -1.361 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.500 8.248 0.460 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.574 9.738 -0.128 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.408 7.846 3.479 1.00 4.36 O HETATM 2144 P5 IHP A 134 -16.035 9.163 4.158 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.189 9.636 3.360 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.482 8.747 5.651 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.875 10.267 4.230 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.541 5.831 5.450 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.151 5.917 6.251 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.356 6.266 7.682 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.335 7.059 5.469 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.390 4.516 6.089 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.553 5.341 3.706 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.207 6.851 3.622 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.224 6.171 1.400 1.00 3.79 H new HETATM 0 H3 IHP A 134 -18.075 5.191 1.900 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.960 2.977 2.178 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.395 4.323 4.169 1.00 3.43 H new