USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 LYS NZ :NH3+ 124:sc= 0.686 (180deg=-2.49!) USER MOD Set 1.2: A 131 SER OG : rot -173:sc= 1.15! USER MOD Set 2.1: A 107 ASN : amide:sc= 1.06 K(o=2.3,f=-0.91!) USER MOD Set 2.2: A 109 SER OG : rot -115:sc= 1.29 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.015 K(o=0.94,f=-16!) USER MOD Set 3.2: A 105 LYS NZ :NH3+ -174:sc= 0.924 (180deg=-0.0255) USER MOD Set 4.1: A 60 MET CE :methyl -179:sc= -1.3 (180deg=-1.3) USER MOD Set 4.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 95 HIS : no HD1:sc= 0.94 K(o=-0.36,f=-7.5!) USER MOD Set 5.1: A 87 TYR OH : rot 166:sc= 0.77 USER MOD Set 5.2: A 89 THR OG1 : rot -49:sc= 1.34 USER MOD Set 6.1: A 85 ASN : amide:sc= -0.116 K(o=-1.4,f=-6.7!) USER MOD Set 6.2: A 86 HIS : no HE2:sc= -1.31 K(o=-1.4,f=-8.4!) USER MOD Set 7.1: A 33 GLN : amide:sc= -0.898 K(o=-0.9,f=-5.4!) USER MOD Set 7.2: A 51 SER OG : rot -20:sc= 0 USER MOD Set 8.1: A 48 TYR OH : rot -20:sc= 2.42 USER MOD Set 8.2: A 50 LYS NZ :NH3+ -174:sc= 0.825 (180deg=-0.00376) USER MOD Set 8.3: A 57 TYR OH : rot -30:sc= 0.852 USER MOD Set 9.1: A 36 GLN : amide:sc= 0.899 K(o=1.5,f=0.68) USER MOD Set 9.2: A 38 GLN : amide:sc= 0.606 K(o=1.5,f=-0.3) USER MOD Set10.1: A 34 HIS : no HE2:sc= 0.0973 K(o=0.31,f=-2.3) USER MOD Set10.2: A 52 THR OG1 : rot -58:sc= 0.216 USER MOD Set11.1: A 8 TYR OH : rot 67:sc= 0.728 USER MOD Set11.2: A 14 HIS : no HD1:sc= -0.55 X(o=0.18,f=0.29) USER MOD Set12.1: A 1 TYR OH : rot 180:sc= 0.955 USER MOD Set12.2: A 2 LYS NZ :NH3+ 158:sc= 1.32 (180deg=-0.115) USER MOD Single : A 1 TYR N :NH3+ -142:sc= 0.259 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00128) USER MOD Single : A 9 CYS SG : rot 103:sc= 0 USER MOD Single : A 10 SER OG : rot 87:sc= 0.837 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 27 THR OG1 : rot 17:sc= -0.152 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 55:sc= 0.825 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.783 X(o=-0.78,f=-0.49) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -100:sc= -0.241 USER MOD Single : A 70 GLN : amide:sc= -0.713 K(o=-0.71,f=-3.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 73 ASN : amide:sc= -0.522! C(o=-0.52!,f=-11!) USER MOD Single : A 76 CYS SG : rot 30:sc= 0.972 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.738 F(o=-3.5,f=-0.74) USER MOD Single : A 90 TYR OH : rot 13:sc= 1.26 USER MOD Single : A 92 SER OG : rot -137:sc= 1.09 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 1.03 (180deg=1.03) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= 2.07 (180deg=1.37) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.463 K(o=-0.46,f=-5.1!) USER MOD Single : A 106 LYS NZ :NH3+ 153:sc= 0.126 (180deg=0.00426) USER MOD Single : A 110 CYS SG : rot 150:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 171:sc= 1.1 USER MOD Single : A 117 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.15) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0466 X(o=-0.047,f=-0.45) USER MOD Single : A 121 LYS NZ :NH3+ -169:sc= 2.17 (180deg=1.78) USER MOD Single : A 132 SER OG : rot -124:sc= -0.237! USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.229 -1.454 -9.455 1.00 0.54 N ATOM 2 CA TYR A 1 15.060 -2.119 -8.833 1.00 0.51 C ATOM 3 C TYR A 1 14.623 -1.406 -7.549 1.00 0.43 C ATOM 4 O TYR A 1 13.431 -1.183 -7.339 1.00 0.59 O ATOM 5 CB TYR A 1 15.359 -3.604 -8.553 1.00 0.57 C ATOM 6 CG TYR A 1 16.402 -3.843 -7.484 1.00 0.55 C ATOM 7 CD1 TYR A 1 17.750 -3.925 -7.804 1.00 0.77 C ATOM 8 CD2 TYR A 1 16.036 -3.976 -6.152 1.00 0.53 C ATOM 9 CE1 TYR A 1 18.702 -4.138 -6.830 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.984 -4.184 -5.170 1.00 0.65 C ATOM 11 CZ TYR A 1 18.317 -4.263 -5.514 1.00 0.85 C ATOM 12 OH TYR A 1 19.270 -4.449 -4.537 1.00 1.08 O ATOM 0 H1 TYR A 1 16.128 -1.470 -10.490 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.282 -0.468 -9.128 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.099 -1.956 -9.184 1.00 0.54 H new ATOM 0 HA TYR A 1 14.235 -2.060 -9.543 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.434 -4.098 -8.257 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.690 -4.076 -9.478 1.00 0.57 H new ATOM 0 HD1 TYR A 1 18.058 -3.820 -8.834 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.993 -3.916 -5.879 1.00 0.53 H new ATOM 0 HE1 TYR A 1 19.746 -4.207 -7.098 1.00 0.93 H new ATOM 0 HE2 TYR A 1 16.683 -4.284 -4.138 1.00 0.65 H new ATOM 0 HH TYR A 1 18.833 -4.517 -3.662 1.00 1.08 H new ATOM 24 N LYS A 2 15.576 -1.036 -6.688 1.00 0.35 N ATOM 25 CA LYS A 2 15.228 -0.358 -5.441 1.00 0.39 C ATOM 26 C LYS A 2 15.444 1.150 -5.562 1.00 0.34 C ATOM 27 O LYS A 2 16.543 1.613 -5.881 1.00 0.48 O ATOM 28 CB LYS A 2 16.005 -0.942 -4.243 1.00 0.54 C ATOM 29 CG LYS A 2 17.425 -0.423 -4.066 1.00 0.73 C ATOM 30 CD LYS A 2 18.354 -0.943 -5.150 1.00 1.05 C ATOM 31 CE LYS A 2 19.801 -1.006 -4.678 1.00 1.15 C ATOM 32 NZ LYS A 2 20.036 -2.090 -3.684 1.00 1.40 N ATOM 0 H LYS A 2 16.574 -1.191 -6.829 1.00 0.35 H new ATOM 0 HA LYS A 2 14.168 -0.531 -5.254 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.444 -0.733 -3.332 1.00 0.54 H new ATOM 0 HB3 LYS A 2 16.044 -2.026 -4.351 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.419 0.667 -4.084 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.803 -0.723 -3.089 1.00 0.73 H new ATOM 0 HD2 LYS A 2 18.030 -1.937 -5.460 1.00 1.05 H new ATOM 0 HD3 LYS A 2 18.286 -0.298 -6.026 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.453 -1.160 -5.538 1.00 1.15 H new ATOM 0 HE3 LYS A 2 20.077 -0.048 -4.237 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 21.046 -2.339 -3.674 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.751 -1.762 -2.739 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.476 -2.927 -3.944 1.00 1.40 H new ATOM 46 N LYS A 3 14.373 1.901 -5.334 1.00 0.28 N ATOM 47 CA LYS A 3 14.402 3.359 -5.400 1.00 0.26 C ATOM 48 C LYS A 3 13.257 3.934 -4.570 1.00 0.26 C ATOM 49 O LYS A 3 12.257 3.249 -4.342 1.00 0.29 O ATOM 50 CB LYS A 3 14.295 3.838 -6.853 1.00 0.30 C ATOM 51 CG LYS A 3 15.639 4.132 -7.502 1.00 0.49 C ATOM 52 CD LYS A 3 15.484 4.557 -8.956 1.00 0.55 C ATOM 53 CE LYS A 3 16.753 5.206 -9.492 1.00 0.78 C ATOM 54 NZ LYS A 3 17.898 4.259 -9.527 1.00 1.18 N ATOM 0 H LYS A 3 13.458 1.517 -5.098 1.00 0.28 H new ATOM 0 HA LYS A 3 15.351 3.709 -4.995 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.777 3.079 -7.439 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.682 4.739 -6.885 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.147 4.920 -6.945 1.00 0.49 H new ATOM 0 HG3 LYS A 3 16.271 3.245 -7.448 1.00 0.49 H new ATOM 0 HD2 LYS A 3 15.235 3.688 -9.565 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.653 5.256 -9.044 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.568 5.586 -10.497 1.00 0.78 H new ATOM 0 HE3 LYS A 3 17.011 6.063 -8.870 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.735 4.740 -9.914 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 18.104 3.928 -8.563 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 17.657 3.445 -10.128 1.00 1.18 H new ATOM 68 N PRO A 4 13.388 5.184 -4.096 1.00 0.28 N ATOM 69 CA PRO A 4 12.352 5.832 -3.289 1.00 0.30 C ATOM 70 C PRO A 4 11.000 5.846 -4.001 1.00 0.27 C ATOM 71 O PRO A 4 10.803 6.580 -4.973 1.00 0.35 O ATOM 72 CB PRO A 4 12.875 7.263 -3.079 1.00 0.35 C ATOM 73 CG PRO A 4 13.972 7.436 -4.072 1.00 0.43 C ATOM 74 CD PRO A 4 14.545 6.066 -4.307 1.00 0.37 C ATOM 0 HA PRO A 4 12.179 5.303 -2.352 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.084 7.997 -3.236 1.00 0.35 H new ATOM 0 HB3 PRO A 4 13.241 7.402 -2.062 1.00 0.35 H new ATOM 0 HG2 PRO A 4 13.593 7.864 -5.000 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.735 8.117 -3.695 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.951 5.965 -5.314 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.355 5.843 -3.613 1.00 0.37 H new ATOM 82 N LYS A 5 10.091 5.000 -3.532 1.00 0.24 N ATOM 83 CA LYS A 5 8.754 4.892 -4.101 1.00 0.22 C ATOM 84 C LYS A 5 7.720 5.458 -3.127 1.00 0.25 C ATOM 85 O LYS A 5 7.930 5.443 -1.914 1.00 0.48 O ATOM 86 CB LYS A 5 8.445 3.419 -4.403 1.00 0.24 C ATOM 87 CG LYS A 5 7.184 3.190 -5.224 1.00 0.24 C ATOM 88 CD LYS A 5 6.980 1.704 -5.509 1.00 0.34 C ATOM 89 CE LYS A 5 5.819 1.461 -6.461 1.00 0.35 C ATOM 90 NZ LYS A 5 5.748 0.043 -6.912 1.00 0.40 N ATOM 0 H LYS A 5 10.260 4.370 -2.748 1.00 0.24 H new ATOM 0 HA LYS A 5 8.709 5.466 -5.026 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.292 2.986 -4.935 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.351 2.881 -3.460 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.320 3.583 -4.688 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.253 3.738 -6.164 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.892 1.288 -5.936 1.00 0.34 H new ATOM 0 HD3 LYS A 5 6.798 1.177 -4.573 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.885 1.731 -5.968 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.921 2.112 -7.329 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.810 -0.346 -6.689 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 5.907 -0.003 -7.939 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.478 -0.514 -6.424 1.00 0.40 H new ATOM 104 N LEU A 6 6.611 5.960 -3.654 1.00 0.22 N ATOM 105 CA LEU A 6 5.554 6.516 -2.818 1.00 0.23 C ATOM 106 C LEU A 6 4.202 5.926 -3.218 1.00 0.22 C ATOM 107 O LEU A 6 4.015 5.519 -4.369 1.00 0.25 O ATOM 108 CB LEU A 6 5.525 8.053 -2.906 1.00 0.27 C ATOM 109 CG LEU A 6 4.863 8.641 -4.158 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.627 10.136 -3.987 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.707 8.374 -5.396 1.00 0.50 C ATOM 0 H LEU A 6 6.420 5.994 -4.655 1.00 0.22 H new ATOM 0 HA LEU A 6 5.761 6.248 -1.782 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.005 8.438 -2.029 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.550 8.420 -2.855 1.00 0.27 H new ATOM 0 HG LEU A 6 3.899 8.151 -4.292 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.157 10.535 -4.886 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.975 10.306 -3.130 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.580 10.638 -3.823 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.216 8.801 -6.270 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.689 8.831 -5.272 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.822 7.299 -5.533 1.00 0.50 H new ATOM 123 N LEU A 7 3.277 5.873 -2.262 1.00 0.24 N ATOM 124 CA LEU A 7 1.943 5.330 -2.499 1.00 0.26 C ATOM 125 C LEU A 7 0.899 6.442 -2.430 1.00 0.22 C ATOM 126 O LEU A 7 0.372 6.752 -1.359 1.00 0.24 O ATOM 127 CB LEU A 7 1.632 4.237 -1.467 1.00 0.32 C ATOM 128 CG LEU A 7 0.223 3.646 -1.542 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.000 2.941 -2.872 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.011 2.688 -0.384 1.00 0.46 C ATOM 0 H LEU A 7 3.430 6.203 -1.309 1.00 0.24 H new ATOM 0 HA LEU A 7 1.912 4.890 -3.496 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.354 3.429 -1.590 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.782 4.650 -0.469 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.495 4.463 -1.468 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -1.009 2.529 -2.901 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.125 3.654 -3.687 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.724 2.134 -2.982 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.018 2.275 -0.451 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.717 1.878 -0.429 1.00 0.46 H new ATOM 0 HD23 LEU A 7 0.100 3.223 0.559 1.00 0.46 H new ATOM 142 N TYR A 8 0.608 7.037 -3.578 1.00 0.22 N ATOM 143 CA TYR A 8 -0.354 8.127 -3.659 1.00 0.21 C ATOM 144 C TYR A 8 -1.783 7.593 -3.763 1.00 0.21 C ATOM 145 O TYR A 8 -2.092 6.775 -4.636 1.00 0.29 O ATOM 146 CB TYR A 8 -0.041 9.015 -4.867 1.00 0.24 C ATOM 147 CG TYR A 8 -0.421 10.465 -4.685 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.744 10.843 -4.507 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.549 11.459 -4.698 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.090 12.169 -4.346 1.00 0.46 C ATOM 151 CE2 TYR A 8 0.211 12.789 -4.538 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.109 13.137 -4.362 1.00 0.50 C ATOM 153 OH TYR A 8 -1.447 14.462 -4.204 1.00 0.63 O ATOM 0 H TYR A 8 1.028 6.781 -4.472 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.275 8.717 -2.746 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.026 8.955 -5.081 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.564 8.621 -5.739 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.515 10.087 -4.494 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.585 11.188 -4.836 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.124 12.447 -4.208 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.977 13.550 -4.551 1.00 0.56 H new ATOM 0 HH TYR A 8 -1.787 14.607 -3.296 1.00 0.63 H new ATOM 163 N CYS A 9 -2.647 8.057 -2.869 1.00 0.23 N ATOM 164 CA CYS A 9 -4.045 7.647 -2.859 1.00 0.27 C ATOM 165 C CYS A 9 -4.916 8.755 -3.445 1.00 0.28 C ATOM 166 O CYS A 9 -4.811 9.919 -3.048 1.00 0.30 O ATOM 167 CB CYS A 9 -4.494 7.306 -1.437 1.00 0.30 C ATOM 168 SG CYS A 9 -3.469 6.060 -0.617 1.00 0.37 S ATOM 0 H CYS A 9 -2.401 8.723 -2.136 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.154 6.753 -3.473 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.489 8.217 -0.838 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.524 6.950 -1.468 1.00 0.30 H new ATOM 0 HG CYS A 9 -2.670 6.642 0.227 1.00 0.37 H new ATOM 174 N SER A 10 -5.760 8.392 -4.397 1.00 0.37 N ATOM 175 CA SER A 10 -6.634 9.353 -5.059 1.00 0.42 C ATOM 176 C SER A 10 -7.824 9.743 -4.176 1.00 0.39 C ATOM 177 O SER A 10 -8.963 9.348 -4.441 1.00 0.51 O ATOM 178 CB SER A 10 -7.117 8.766 -6.392 1.00 0.56 C ATOM 179 OG SER A 10 -6.065 8.075 -7.050 1.00 1.23 O ATOM 0 H SER A 10 -5.860 7.434 -4.732 1.00 0.37 H new ATOM 0 HA SER A 10 -6.065 10.264 -5.246 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.950 8.085 -6.214 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.490 9.565 -7.033 1.00 0.56 H new ATOM 0 HG SER A 10 -6.032 7.149 -6.730 1.00 1.23 H new ATOM 185 N ASN A 11 -7.562 10.516 -3.119 1.00 0.33 N ATOM 186 CA ASN A 11 -8.634 10.960 -2.221 1.00 0.36 C ATOM 187 C ASN A 11 -8.367 12.365 -1.666 1.00 0.35 C ATOM 188 O ASN A 11 -8.775 12.691 -0.547 1.00 0.47 O ATOM 189 CB ASN A 11 -8.818 9.961 -1.069 1.00 0.44 C ATOM 190 CG ASN A 11 -10.168 10.103 -0.373 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.261 10.015 0.856 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.232 10.288 -1.147 1.00 0.75 N ATOM 0 H ASN A 11 -6.630 10.844 -2.865 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.553 11.004 -2.806 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.718 8.946 -1.455 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.021 10.104 -0.339 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.160 10.362 -0.730 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.121 10.356 -2.159 1.00 0.75 H new ATOM 199 N GLY A 12 -7.699 13.198 -2.458 1.00 0.38 N ATOM 200 CA GLY A 12 -7.400 14.551 -2.027 1.00 0.45 C ATOM 201 C GLY A 12 -6.171 14.615 -1.144 1.00 0.46 C ATOM 202 O GLY A 12 -5.954 13.735 -0.307 1.00 0.87 O ATOM 0 H GLY A 12 -7.360 12.960 -3.390 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.249 15.184 -2.902 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.255 14.955 -1.485 1.00 0.45 H new ATOM 206 N GLY A 13 -5.366 15.652 -1.331 1.00 0.38 N ATOM 207 CA GLY A 13 -4.160 15.814 -0.548 1.00 0.36 C ATOM 208 C GLY A 13 -3.025 14.951 -1.071 1.00 0.31 C ATOM 209 O GLY A 13 -2.875 14.781 -2.284 1.00 0.40 O ATOM 0 H GLY A 13 -5.530 16.389 -2.017 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -3.856 16.861 -0.562 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.364 15.555 0.491 1.00 0.36 H new ATOM 213 N HIS A 14 -2.223 14.408 -0.166 1.00 0.26 N ATOM 214 CA HIS A 14 -1.096 13.555 -0.533 1.00 0.24 C ATOM 215 C HIS A 14 -1.020 12.370 0.423 1.00 0.22 C ATOM 216 O HIS A 14 -1.524 12.443 1.543 1.00 0.30 O ATOM 217 CB HIS A 14 0.216 14.347 -0.490 1.00 0.28 C ATOM 218 CG HIS A 14 0.268 15.499 -1.446 1.00 0.38 C ATOM 219 ND1 HIS A 14 -0.260 16.740 -1.161 1.00 0.60 N ATOM 220 CD2 HIS A 14 0.808 15.596 -2.684 1.00 0.53 C ATOM 221 CE1 HIS A 14 -0.051 17.550 -2.185 1.00 0.72 C ATOM 222 NE2 HIS A 14 0.597 16.880 -3.118 1.00 0.66 N ATOM 0 H HIS A 14 -2.332 14.544 0.839 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.246 13.192 -1.550 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.368 14.722 0.522 1.00 0.28 H new ATOM 0 HB3 HIS A 14 1.043 13.671 -0.707 1.00 0.28 H new ATOM 0 HD2 HIS A 14 1.311 14.810 -3.228 1.00 0.53 H new ATOM 0 HE1 HIS A 14 -0.358 18.583 -2.247 1.00 0.72 H new ATOM 0 HE2 HIS A 14 0.894 17.256 -4.018 1.00 0.66 H new ATOM 231 N PHE A 15 -0.384 11.284 -0.003 1.00 0.20 N ATOM 232 CA PHE A 15 -0.272 10.094 0.834 1.00 0.21 C ATOM 233 C PHE A 15 1.128 9.500 0.764 1.00 0.21 C ATOM 234 O PHE A 15 1.619 9.185 -0.320 1.00 0.23 O ATOM 235 CB PHE A 15 -1.301 9.047 0.403 1.00 0.27 C ATOM 236 CG PHE A 15 -2.727 9.498 0.556 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.290 10.384 -0.349 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.504 9.032 1.603 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.600 10.796 -0.213 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.816 9.440 1.744 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.365 10.322 0.834 1.00 0.45 C ATOM 0 H PHE A 15 0.060 11.203 -0.918 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.467 10.390 1.865 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.123 8.784 -0.640 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.151 8.141 0.990 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.696 10.756 -1.171 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.080 8.342 2.317 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.026 11.488 -0.924 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.412 9.070 2.565 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.391 10.641 0.941 1.00 0.45 H new ATOM 251 N LEU A 16 1.772 9.375 1.925 1.00 0.20 N ATOM 252 CA LEU A 16 3.114 8.793 2.012 1.00 0.22 C ATOM 253 C LEU A 16 3.707 8.939 3.420 1.00 0.23 C ATOM 254 O LEU A 16 4.894 9.231 3.577 1.00 0.33 O ATOM 255 CB LEU A 16 4.060 9.405 0.960 1.00 0.23 C ATOM 256 CG LEU A 16 3.995 10.930 0.792 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.610 11.637 1.992 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.693 11.352 -0.495 1.00 0.45 C ATOM 0 H LEU A 16 1.385 9.670 2.822 1.00 0.20 H new ATOM 0 HA LEU A 16 3.013 7.728 1.802 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.083 9.133 1.220 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.843 8.945 -0.004 1.00 0.23 H new ATOM 0 HG LEU A 16 2.947 11.222 0.731 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.551 12.716 1.848 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.066 11.361 2.895 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.654 11.341 2.093 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.639 12.436 -0.600 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.738 11.043 -0.461 1.00 0.45 H new ATOM 0 HD23 LEU A 16 4.203 10.880 -1.346 1.00 0.45 H new ATOM 270 N ARG A 17 2.889 8.713 4.450 1.00 0.24 N ATOM 271 CA ARG A 17 3.362 8.811 5.828 1.00 0.26 C ATOM 272 C ARG A 17 2.924 7.594 6.631 1.00 0.22 C ATOM 273 O ARG A 17 1.760 7.194 6.581 1.00 0.29 O ATOM 274 CB ARG A 17 2.860 10.092 6.503 1.00 0.34 C ATOM 275 CG ARG A 17 3.288 10.217 7.962 1.00 0.47 C ATOM 276 CD ARG A 17 2.975 11.596 8.532 1.00 0.53 C ATOM 277 NE ARG A 17 1.543 11.893 8.499 1.00 0.54 N ATOM 278 CZ ARG A 17 1.019 13.105 8.695 1.00 0.72 C ATOM 279 NH1 ARG A 17 1.796 14.131 9.018 1.00 0.85 N ATOM 280 NH2 ARG A 17 -0.291 13.288 8.570 1.00 0.86 N ATOM 0 H ARG A 17 1.905 8.463 4.356 1.00 0.24 H new ATOM 0 HA ARG A 17 4.451 8.847 5.800 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.230 10.955 5.949 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.772 10.120 6.448 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.781 9.456 8.555 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.358 10.025 8.044 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.333 11.653 9.560 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.515 12.354 7.964 1.00 0.53 H new ATOM 0 HE ARG A 17 0.902 11.122 8.314 1.00 0.54 H new ATOM 0 HH11 ARG A 17 2.802 13.997 9.118 1.00 0.85 H new ATOM 0 HH12 ARG A 17 1.387 15.054 9.166 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.894 12.503 8.325 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -0.693 14.213 8.719 1.00 0.86 H new ATOM 294 N ILE A 18 3.870 7.007 7.352 1.00 0.21 N ATOM 295 CA ILE A 18 3.604 5.841 8.182 1.00 0.20 C ATOM 296 C ILE A 18 4.059 6.107 9.615 1.00 0.20 C ATOM 297 O ILE A 18 5.179 6.581 9.838 1.00 0.26 O ATOM 298 CB ILE A 18 4.314 4.574 7.637 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.960 3.349 8.485 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.824 4.765 7.585 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.606 2.758 8.160 1.00 0.33 C ATOM 0 H ILE A 18 4.839 7.324 7.378 1.00 0.21 H new ATOM 0 HA ILE A 18 2.529 5.660 8.162 1.00 0.20 H new ATOM 0 HB ILE A 18 3.960 4.408 6.619 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.724 2.585 8.342 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.982 3.628 9.538 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.292 3.860 7.199 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.062 5.604 6.931 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.200 4.968 8.588 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.423 1.894 8.799 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.832 3.506 8.331 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.586 2.447 7.115 1.00 0.33 H new ATOM 313 N LEU A 19 3.183 5.828 10.574 1.00 0.21 N ATOM 314 CA LEU A 19 3.496 6.032 11.983 1.00 0.24 C ATOM 315 C LEU A 19 4.091 4.761 12.579 1.00 0.23 C ATOM 316 O LEU A 19 3.539 3.672 12.394 1.00 0.22 O ATOM 317 CB LEU A 19 2.241 6.446 12.764 1.00 0.30 C ATOM 318 CG LEU A 19 1.731 7.870 12.493 1.00 0.40 C ATOM 319 CD1 LEU A 19 2.858 8.883 12.629 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.090 7.964 11.116 1.00 0.48 C ATOM 0 H LEU A 19 2.248 5.459 10.400 1.00 0.21 H new ATOM 0 HA LEU A 19 4.229 6.835 12.059 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.442 5.742 12.532 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.450 6.351 13.830 1.00 0.30 H new ATOM 0 HG LEU A 19 0.971 8.102 13.239 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.473 9.884 12.433 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.264 8.842 13.640 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.645 8.650 11.912 1.00 0.54 H new ATOM 0 HD21 LEU A 19 0.737 8.981 10.948 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.825 7.704 10.354 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.248 7.274 11.059 1.00 0.48 H new ATOM 332 N PRO A 20 5.219 4.886 13.308 1.00 0.29 N ATOM 333 CA PRO A 20 5.916 3.753 13.929 1.00 0.33 C ATOM 334 C PRO A 20 4.956 2.755 14.572 1.00 0.30 C ATOM 335 O PRO A 20 5.157 1.543 14.478 1.00 0.36 O ATOM 336 CB PRO A 20 6.810 4.408 14.999 1.00 0.41 C ATOM 337 CG PRO A 20 6.494 5.871 14.963 1.00 0.55 C ATOM 338 CD PRO A 20 5.907 6.144 13.607 1.00 0.38 C ATOM 0 HA PRO A 20 6.473 3.175 13.192 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.608 3.990 15.985 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.865 4.231 14.787 1.00 0.41 H new ATOM 0 HG2 PRO A 20 5.790 6.136 15.752 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.392 6.467 15.125 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.220 6.990 13.624 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.676 6.373 12.869 1.00 0.38 H new ATOM 346 N ASP A 21 3.924 3.274 15.231 1.00 0.27 N ATOM 347 CA ASP A 21 2.923 2.434 15.887 1.00 0.30 C ATOM 348 C ASP A 21 2.412 1.360 14.932 1.00 0.29 C ATOM 349 O ASP A 21 2.209 0.209 15.323 1.00 0.41 O ATOM 350 CB ASP A 21 1.744 3.286 16.372 1.00 0.36 C ATOM 351 CG ASP A 21 2.143 4.294 17.432 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.892 5.240 17.110 1.00 0.95 O ATOM 353 OD2 ASP A 21 1.707 4.149 18.588 1.00 0.96 O ATOM 0 H ASP A 21 3.758 4.276 15.326 1.00 0.27 H new ATOM 0 HA ASP A 21 3.396 1.953 16.743 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.309 3.812 15.523 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.970 2.632 16.773 1.00 0.36 H new ATOM 358 N GLY A 22 2.233 1.744 13.674 1.00 0.24 N ATOM 359 CA GLY A 22 1.736 0.825 12.674 1.00 0.27 C ATOM 360 C GLY A 22 0.506 1.362 11.973 1.00 0.27 C ATOM 361 O GLY A 22 -0.553 0.736 11.996 1.00 0.35 O ATOM 0 H GLY A 22 2.426 2.684 13.329 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.517 0.632 11.939 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.498 -0.129 13.144 1.00 0.27 H new ATOM 365 N THR A 23 0.634 2.533 11.365 1.00 0.24 N ATOM 366 CA THR A 23 -0.480 3.147 10.656 1.00 0.27 C ATOM 367 C THR A 23 0.020 4.105 9.581 1.00 0.22 C ATOM 368 O THR A 23 0.944 4.886 9.821 1.00 0.25 O ATOM 369 CB THR A 23 -1.404 3.909 11.630 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.648 3.119 12.808 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.727 4.251 10.960 1.00 0.43 C ATOM 0 H THR A 23 1.497 3.076 11.348 1.00 0.24 H new ATOM 0 HA THR A 23 -1.046 2.345 10.183 1.00 0.27 H new ATOM 0 HB THR A 23 -0.905 4.835 11.916 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.234 3.614 13.418 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.363 4.788 11.664 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.542 4.878 10.088 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.225 3.333 10.648 1.00 0.43 H new ATOM 379 N VAL A 24 -0.579 4.026 8.399 1.00 0.25 N ATOM 380 CA VAL A 24 -0.204 4.884 7.280 1.00 0.24 C ATOM 381 C VAL A 24 -1.299 5.916 7.017 1.00 0.28 C ATOM 382 O VAL A 24 -2.488 5.595 7.091 1.00 0.37 O ATOM 383 CB VAL A 24 0.056 4.058 5.995 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.191 3.286 5.581 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.543 4.953 4.862 1.00 0.32 C ATOM 0 H VAL A 24 -1.332 3.371 8.189 1.00 0.25 H new ATOM 0 HA VAL A 24 0.721 5.395 7.549 1.00 0.24 H new ATOM 0 HB VAL A 24 0.841 3.335 6.214 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -0.982 2.715 4.677 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.480 2.605 6.382 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.005 3.985 5.388 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.718 4.350 3.971 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.212 5.709 4.645 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.471 5.442 5.158 1.00 0.32 H new ATOM 395 N ASP A 25 -0.899 7.148 6.723 1.00 0.28 N ATOM 396 CA ASP A 25 -1.856 8.216 6.456 1.00 0.35 C ATOM 397 C ASP A 25 -1.336 9.174 5.377 1.00 0.27 C ATOM 398 O ASP A 25 -0.313 8.912 4.731 1.00 0.26 O ATOM 399 CB ASP A 25 -2.209 8.966 7.751 1.00 0.50 C ATOM 400 CG ASP A 25 -1.311 10.155 8.028 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.103 9.956 8.266 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.816 11.300 8.030 1.00 1.19 O ATOM 0 H ASP A 25 0.079 7.432 6.664 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.770 7.762 6.072 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.242 9.308 7.693 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.149 8.273 8.590 1.00 0.50 H new ATOM 407 N GLY A 26 -2.048 10.283 5.189 1.00 0.27 N ATOM 408 CA GLY A 26 -1.682 11.247 4.169 1.00 0.26 C ATOM 409 C GLY A 26 -0.536 12.161 4.563 1.00 0.32 C ATOM 410 O GLY A 26 -0.356 12.491 5.736 1.00 0.72 O ATOM 0 H GLY A 26 -2.877 10.530 5.730 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.409 10.712 3.259 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.554 11.857 3.931 1.00 0.26 H new ATOM 414 N THR A 27 0.224 12.590 3.562 1.00 0.25 N ATOM 415 CA THR A 27 1.362 13.488 3.743 1.00 0.23 C ATOM 416 C THR A 27 1.934 13.867 2.378 1.00 0.23 C ATOM 417 O THR A 27 1.826 13.095 1.424 1.00 0.26 O ATOM 418 CB THR A 27 2.466 12.861 4.627 1.00 0.30 C ATOM 419 OG1 THR A 27 2.101 12.960 6.010 1.00 0.60 O ATOM 420 CG2 THR A 27 3.812 13.545 4.421 1.00 0.65 C ATOM 0 H THR A 27 0.067 12.322 2.590 1.00 0.25 H new ATOM 0 HA THR A 27 1.005 14.380 4.258 1.00 0.23 H new ATOM 0 HB THR A 27 2.562 11.815 4.335 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.143 13.154 6.082 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.560 13.076 5.060 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.113 13.449 3.378 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.727 14.601 4.678 1.00 0.65 H new ATOM 428 N ARG A 28 2.526 15.052 2.288 1.00 0.26 N ATOM 429 CA ARG A 28 3.100 15.532 1.036 1.00 0.29 C ATOM 430 C ARG A 28 4.622 15.469 1.075 1.00 0.29 C ATOM 431 O ARG A 28 5.236 15.797 2.091 1.00 0.39 O ATOM 432 CB ARG A 28 2.640 16.968 0.758 1.00 0.36 C ATOM 433 CG ARG A 28 3.159 17.985 1.765 1.00 0.44 C ATOM 434 CD ARG A 28 2.583 19.368 1.511 1.00 0.57 C ATOM 435 NE ARG A 28 1.175 19.460 1.901 1.00 0.66 N ATOM 436 CZ ARG A 28 0.731 20.112 2.985 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.579 20.748 3.791 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.572 20.131 3.258 1.00 1.12 N ATOM 0 H ARG A 28 2.621 15.700 3.070 1.00 0.26 H new ATOM 0 HA ARG A 28 2.751 14.884 0.232 1.00 0.29 H new ATOM 0 HB2 ARG A 28 2.969 17.258 -0.240 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.550 16.997 0.755 1.00 0.36 H new ATOM 0 HG2 ARG A 28 2.902 17.663 2.774 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.247 18.028 1.712 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.161 20.108 2.065 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.682 19.613 0.453 1.00 0.57 H new ATOM 0 HE ARG A 28 0.486 18.997 1.308 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.578 20.743 3.587 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.229 21.241 4.613 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.229 19.650 2.643 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.913 20.626 4.082 1.00 1.12 H new ATOM 452 N ASP A 29 5.222 15.045 -0.033 1.00 0.27 N ATOM 453 CA ASP A 29 6.677 14.944 -0.138 1.00 0.29 C ATOM 454 C ASP A 29 7.084 14.746 -1.598 1.00 0.30 C ATOM 455 O ASP A 29 6.226 14.706 -2.488 1.00 0.37 O ATOM 456 CB ASP A 29 7.210 13.786 0.721 1.00 0.31 C ATOM 457 CG ASP A 29 8.609 14.046 1.261 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.520 14.351 0.460 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.804 13.956 2.491 1.00 0.53 O ATOM 0 H ASP A 29 4.721 14.764 -0.876 1.00 0.27 H new ATOM 0 HA ASP A 29 7.113 15.872 0.232 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.530 13.616 1.555 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.219 12.873 0.126 1.00 0.31 H new ATOM 464 N ARG A 30 8.382 14.619 -1.842 1.00 0.35 N ATOM 465 CA ARG A 30 8.904 14.428 -3.189 1.00 0.39 C ATOM 466 C ARG A 30 9.253 12.958 -3.405 1.00 0.37 C ATOM 467 O ARG A 30 10.425 12.586 -3.465 1.00 0.41 O ATOM 468 CB ARG A 30 10.139 15.308 -3.418 1.00 0.48 C ATOM 469 CG ARG A 30 10.704 15.223 -4.829 1.00 0.53 C ATOM 470 CD ARG A 30 9.746 15.812 -5.855 1.00 0.62 C ATOM 471 NE ARG A 30 10.265 15.707 -7.219 1.00 0.72 N ATOM 472 CZ ARG A 30 9.534 15.901 -8.322 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.243 16.217 -8.228 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.097 15.780 -9.521 1.00 1.02 N ATOM 0 H ARG A 30 9.099 14.645 -1.117 1.00 0.35 H new ATOM 0 HA ARG A 30 8.138 14.721 -3.907 1.00 0.39 H new ATOM 0 HB2 ARG A 30 9.879 16.345 -3.203 1.00 0.48 H new ATOM 0 HB3 ARG A 30 10.915 15.020 -2.709 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.655 15.753 -4.873 1.00 0.53 H new ATOM 0 HG3 ARG A 30 10.908 14.181 -5.077 1.00 0.53 H new ATOM 0 HD2 ARG A 30 8.787 15.297 -5.792 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.561 16.860 -5.618 1.00 0.62 H new ATOM 0 HE ARG A 30 11.250 15.470 -7.336 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.807 16.312 -7.311 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.691 16.364 -9.073 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.085 15.539 -9.598 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.541 15.928 -10.363 1.00 1.02 H new ATOM 488 N SER A 31 8.223 12.124 -3.502 1.00 0.44 N ATOM 489 CA SER A 31 8.406 10.688 -3.706 1.00 0.51 C ATOM 490 C SER A 31 9.044 10.026 -2.481 1.00 0.51 C ATOM 491 O SER A 31 9.561 8.913 -2.570 1.00 0.86 O ATOM 492 CB SER A 31 9.269 10.433 -4.945 1.00 0.65 C ATOM 493 OG SER A 31 8.810 11.194 -6.052 1.00 0.74 O ATOM 0 H SER A 31 7.248 12.418 -3.443 1.00 0.44 H new ATOM 0 HA SER A 31 7.421 10.246 -3.856 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.306 10.689 -4.729 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.248 9.372 -5.195 1.00 0.65 H new ATOM 0 HG SER A 31 9.378 11.015 -6.830 1.00 0.74 H new ATOM 499 N ASP A 32 8.989 10.702 -1.333 1.00 0.47 N ATOM 500 CA ASP A 32 9.567 10.166 -0.109 1.00 0.47 C ATOM 501 C ASP A 32 8.482 9.909 0.928 1.00 0.49 C ATOM 502 O ASP A 32 7.667 10.784 1.222 1.00 1.05 O ATOM 503 CB ASP A 32 10.617 11.124 0.463 1.00 0.57 C ATOM 504 CG ASP A 32 12.000 10.928 -0.138 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.439 9.767 -0.286 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.664 11.939 -0.454 1.00 0.83 O ATOM 0 H ASP A 32 8.551 11.617 -1.229 1.00 0.47 H new ATOM 0 HA ASP A 32 10.053 9.221 -0.354 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.295 12.151 0.289 1.00 0.57 H new ATOM 0 HB3 ASP A 32 10.675 10.986 1.543 1.00 0.57 H new ATOM 511 N GLN A 33 8.473 8.694 1.462 1.00 0.35 N ATOM 512 CA GLN A 33 7.505 8.300 2.479 1.00 0.34 C ATOM 513 C GLN A 33 7.978 8.807 3.848 1.00 0.35 C ATOM 514 O GLN A 33 8.633 9.848 3.922 1.00 0.54 O ATOM 515 CB GLN A 33 7.355 6.774 2.471 1.00 0.45 C ATOM 516 CG GLN A 33 5.981 6.284 2.908 1.00 0.53 C ATOM 517 CD GLN A 33 6.062 5.143 3.902 1.00 0.71 C ATOM 518 OE1 GLN A 33 6.976 5.093 4.728 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.115 4.220 3.830 1.00 0.82 N ATOM 0 H GLN A 33 9.131 7.958 1.205 1.00 0.35 H new ATOM 0 HA GLN A 33 6.530 8.740 2.268 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.558 6.405 1.466 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.109 6.342 3.128 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.428 7.111 3.353 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.419 5.960 2.032 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.377 4.300 3.131 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.124 3.429 4.474 1.00 0.82 H new ATOM 528 N HIS A 34 7.658 8.084 4.932 1.00 0.34 N ATOM 529 CA HIS A 34 8.100 8.477 6.277 1.00 0.39 C ATOM 530 C HIS A 34 9.586 8.843 6.248 1.00 0.37 C ATOM 531 O HIS A 34 10.037 9.722 6.976 1.00 0.50 O ATOM 532 CB HIS A 34 7.854 7.329 7.267 1.00 0.48 C ATOM 533 CG HIS A 34 8.579 7.477 8.571 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.514 6.567 9.022 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.494 8.432 9.526 1.00 0.83 C ATOM 536 CE1 HIS A 34 9.970 6.959 10.198 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.366 8.088 10.525 1.00 0.95 N ATOM 0 H HIS A 34 7.099 7.231 4.904 1.00 0.34 H new ATOM 0 HA HIS A 34 7.529 9.347 6.602 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.784 7.257 7.465 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.155 6.391 6.801 1.00 0.48 H new ATOM 0 HD1 HIS A 34 9.806 5.725 8.526 1.00 0.86 H new ATOM 0 HD2 HIS A 34 7.857 9.304 9.505 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.711 6.444 10.792 1.00 0.99 H new ATOM 546 N ILE A 35 10.324 8.134 5.402 1.00 0.31 N ATOM 547 CA ILE A 35 11.753 8.353 5.209 1.00 0.34 C ATOM 548 C ILE A 35 12.131 7.933 3.790 1.00 0.33 C ATOM 549 O ILE A 35 12.840 8.644 3.085 1.00 0.40 O ATOM 550 CB ILE A 35 12.607 7.562 6.231 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.437 8.147 7.639 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.076 7.562 5.822 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.355 7.529 8.670 1.00 0.51 C ATOM 0 H ILE A 35 9.944 7.384 4.825 1.00 0.31 H new ATOM 0 HA ILE A 35 11.958 9.412 5.364 1.00 0.34 H new ATOM 0 HB ILE A 35 12.258 6.529 6.243 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.619 9.221 7.601 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.404 8.010 7.957 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.657 7.001 6.554 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.181 7.097 4.842 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.441 8.588 5.778 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.177 7.993 9.640 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.158 6.459 8.738 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.392 7.689 8.376 1.00 0.51 H new ATOM 565 N GLN A 36 11.645 6.756 3.393 1.00 0.29 N ATOM 566 CA GLN A 36 11.882 6.203 2.065 1.00 0.30 C ATOM 567 C GLN A 36 11.145 4.872 1.951 1.00 0.30 C ATOM 568 O GLN A 36 11.121 4.105 2.908 1.00 0.64 O ATOM 569 CB GLN A 36 13.378 6.001 1.831 1.00 0.37 C ATOM 570 CG GLN A 36 13.719 5.445 0.459 1.00 0.40 C ATOM 571 CD GLN A 36 15.179 5.063 0.349 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.010 5.856 -0.094 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.504 3.847 0.761 1.00 0.61 N ATOM 0 H GLN A 36 11.073 6.158 3.990 1.00 0.29 H new ATOM 0 HA GLN A 36 11.512 6.895 1.309 1.00 0.30 H new ATOM 0 HB2 GLN A 36 13.888 6.955 1.962 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.766 5.325 2.593 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.099 4.571 0.258 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.480 6.187 -0.303 1.00 0.40 H new ATOM 0 HE21 GLN A 36 14.784 3.221 1.121 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.475 3.536 0.718 1.00 0.61 H new ATOM 582 N LEU A 37 10.526 4.608 0.811 1.00 0.27 N ATOM 583 CA LEU A 37 9.799 3.358 0.625 1.00 0.25 C ATOM 584 C LEU A 37 10.282 2.635 -0.624 1.00 0.22 C ATOM 585 O LEU A 37 10.486 3.255 -1.669 1.00 0.26 O ATOM 586 CB LEU A 37 8.290 3.620 0.555 1.00 0.33 C ATOM 587 CG LEU A 37 7.406 2.377 0.395 1.00 0.42 C ATOM 588 CD1 LEU A 37 6.025 2.624 0.982 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.290 1.984 -1.071 1.00 0.53 C ATOM 0 H LEU A 37 10.511 5.235 0.006 1.00 0.27 H new ATOM 0 HA LEU A 37 9.994 2.715 1.483 1.00 0.25 H new ATOM 0 HB2 LEU A 37 7.988 4.143 1.462 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.095 4.292 -0.281 1.00 0.33 H new ATOM 0 HG LEU A 37 7.874 1.556 0.938 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.412 1.731 0.859 1.00 0.57 H new ATOM 0 HD12 LEU A 37 6.117 2.858 2.043 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.554 3.461 0.466 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.659 1.100 -1.162 1.00 0.53 H new ATOM 0 HD22 LEU A 37 6.847 2.806 -1.634 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.281 1.765 -1.468 1.00 0.53 H new ATOM 601 N GLN A 38 10.474 1.330 -0.499 1.00 0.23 N ATOM 602 CA GLN A 38 10.934 0.499 -1.605 1.00 0.27 C ATOM 603 C GLN A 38 9.912 -0.591 -1.915 1.00 0.24 C ATOM 604 O GLN A 38 9.152 -1.010 -1.035 1.00 0.32 O ATOM 605 CB GLN A 38 12.286 -0.133 -1.267 1.00 0.38 C ATOM 606 CG GLN A 38 13.421 0.874 -1.160 1.00 0.51 C ATOM 607 CD GLN A 38 14.255 0.702 0.098 1.00 0.62 C ATOM 608 OE1 GLN A 38 13.751 0.308 1.152 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.542 0.992 -0.004 1.00 0.75 N ATOM 0 H GLN A 38 10.316 0.817 0.369 1.00 0.23 H new ATOM 0 HA GLN A 38 11.049 1.131 -2.486 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.200 -0.672 -0.323 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.535 -0.868 -2.032 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.067 0.778 -2.033 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.007 1.882 -1.179 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.923 1.315 -0.893 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.153 0.892 0.807 1.00 0.75 H new ATOM 618 N LEU A 39 9.895 -1.043 -3.163 1.00 0.24 N ATOM 619 CA LEU A 39 8.974 -2.086 -3.592 1.00 0.24 C ATOM 620 C LEU A 39 9.541 -2.809 -4.807 1.00 0.26 C ATOM 621 O LEU A 39 9.344 -2.379 -5.947 1.00 0.34 O ATOM 622 CB LEU A 39 7.599 -1.487 -3.912 1.00 0.26 C ATOM 623 CG LEU A 39 6.472 -2.504 -4.123 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.118 -1.826 -3.985 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.594 -3.175 -5.485 1.00 0.41 C ATOM 0 H LEU A 39 10.513 -0.701 -3.899 1.00 0.24 H new ATOM 0 HA LEU A 39 8.851 -2.805 -2.782 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.315 -0.818 -3.099 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.688 -0.877 -4.811 1.00 0.26 H new ATOM 0 HG LEU A 39 6.558 -3.274 -3.357 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.326 -2.560 -4.137 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.027 -1.395 -2.988 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.029 -1.036 -4.731 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.783 -3.892 -5.611 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.536 -2.420 -6.269 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.551 -3.693 -5.551 1.00 0.41 H new ATOM 637 N SER A 40 10.269 -3.892 -4.554 1.00 0.25 N ATOM 638 CA SER A 40 10.888 -4.690 -5.612 1.00 0.28 C ATOM 639 C SER A 40 11.633 -5.887 -5.012 1.00 0.29 C ATOM 640 O SER A 40 11.524 -6.148 -3.813 1.00 0.38 O ATOM 641 CB SER A 40 11.851 -3.829 -6.445 1.00 0.36 C ATOM 642 OG SER A 40 11.155 -3.096 -7.441 1.00 0.55 O ATOM 0 H SER A 40 10.447 -4.242 -3.613 1.00 0.25 H new ATOM 0 HA SER A 40 10.100 -5.061 -6.267 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.386 -3.141 -5.791 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.599 -4.467 -6.916 1.00 0.36 H new ATOM 0 HG SER A 40 10.442 -2.571 -7.022 1.00 0.55 H new ATOM 648 N ALA A 41 12.366 -6.611 -5.861 1.00 0.33 N ATOM 649 CA ALA A 41 13.147 -7.781 -5.446 1.00 0.37 C ATOM 650 C ALA A 41 12.299 -9.051 -5.469 1.00 0.36 C ATOM 651 O ALA A 41 12.699 -10.076 -4.917 1.00 0.76 O ATOM 652 CB ALA A 41 13.769 -7.571 -4.068 1.00 0.46 C ATOM 0 H ALA A 41 12.436 -6.403 -6.857 1.00 0.33 H new ATOM 0 HA ALA A 41 13.956 -7.904 -6.166 1.00 0.37 H new ATOM 0 HB1 ALA A 41 14.341 -8.456 -3.789 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.430 -6.705 -4.095 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.980 -7.403 -3.335 1.00 0.46 H new ATOM 658 N GLU A 42 11.143 -8.988 -6.128 1.00 0.35 N ATOM 659 CA GLU A 42 10.244 -10.132 -6.224 1.00 0.30 C ATOM 660 C GLU A 42 9.987 -10.488 -7.685 1.00 0.33 C ATOM 661 O GLU A 42 10.265 -9.690 -8.585 1.00 0.51 O ATOM 662 CB GLU A 42 8.922 -9.830 -5.515 1.00 0.32 C ATOM 663 CG GLU A 42 9.046 -9.721 -4.004 1.00 0.54 C ATOM 664 CD GLU A 42 9.577 -10.992 -3.372 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.793 -11.944 -3.192 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.783 -11.050 -3.065 1.00 1.05 O ATOM 0 H GLU A 42 10.808 -8.151 -6.605 1.00 0.35 H new ATOM 0 HA GLU A 42 10.717 -10.984 -5.736 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.517 -8.896 -5.905 1.00 0.32 H new ATOM 0 HB3 GLU A 42 8.204 -10.614 -5.755 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.708 -8.892 -3.756 1.00 0.54 H new ATOM 0 HG3 GLU A 42 8.070 -9.488 -3.578 1.00 0.54 H new ATOM 673 N SER A 43 9.473 -11.689 -7.915 1.00 0.31 N ATOM 674 CA SER A 43 9.177 -12.153 -9.264 1.00 0.38 C ATOM 675 C SER A 43 7.998 -11.377 -9.849 1.00 0.34 C ATOM 676 O SER A 43 7.297 -10.671 -9.125 1.00 0.61 O ATOM 677 CB SER A 43 8.865 -13.649 -9.232 1.00 0.52 C ATOM 678 OG SER A 43 9.664 -14.317 -8.264 1.00 1.04 O ATOM 0 H SER A 43 9.252 -12.362 -7.181 1.00 0.31 H new ATOM 0 HA SER A 43 10.046 -11.982 -9.899 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.810 -13.799 -9.003 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.043 -14.082 -10.216 1.00 0.52 H new ATOM 0 HG SER A 43 9.445 -15.272 -8.262 1.00 1.04 H new ATOM 684 N VAL A 44 7.786 -11.505 -11.158 1.00 0.39 N ATOM 685 CA VAL A 44 6.687 -10.814 -11.835 1.00 0.39 C ATOM 686 C VAL A 44 5.403 -10.889 -11.009 1.00 0.36 C ATOM 687 O VAL A 44 5.025 -11.963 -10.529 1.00 0.59 O ATOM 688 CB VAL A 44 6.426 -11.403 -13.242 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.013 -12.865 -13.153 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.374 -10.588 -13.982 1.00 0.58 C ATOM 0 H VAL A 44 8.361 -12.081 -11.772 1.00 0.39 H new ATOM 0 HA VAL A 44 6.985 -9.771 -11.943 1.00 0.39 H new ATOM 0 HB VAL A 44 7.357 -11.350 -13.807 1.00 0.52 H new ATOM 0 HG11 VAL A 44 5.836 -13.255 -14.155 1.00 0.60 H new ATOM 0 HG12 VAL A 44 6.807 -13.439 -12.676 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.100 -12.950 -12.564 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.207 -11.020 -14.969 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.441 -10.600 -13.418 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.720 -9.560 -14.090 1.00 0.58 H new ATOM 700 N GLY A 45 4.748 -9.749 -10.829 1.00 0.32 N ATOM 701 CA GLY A 45 3.521 -9.707 -10.054 1.00 0.33 C ATOM 702 C GLY A 45 3.799 -9.608 -8.568 1.00 0.28 C ATOM 703 O GLY A 45 3.277 -8.720 -7.889 1.00 0.33 O ATOM 0 H GLY A 45 5.045 -8.849 -11.207 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.921 -8.854 -10.369 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.933 -10.602 -10.255 1.00 0.33 H new ATOM 707 N GLU A 46 4.622 -10.522 -8.064 1.00 0.27 N ATOM 708 CA GLU A 46 4.992 -10.537 -6.654 1.00 0.28 C ATOM 709 C GLU A 46 5.702 -9.234 -6.298 1.00 0.24 C ATOM 710 O GLU A 46 6.596 -8.792 -7.025 1.00 0.31 O ATOM 711 CB GLU A 46 5.907 -11.730 -6.354 1.00 0.39 C ATOM 712 CG GLU A 46 5.352 -13.070 -6.815 1.00 0.51 C ATOM 713 CD GLU A 46 4.466 -13.731 -5.777 1.00 0.64 C ATOM 714 OE1 GLU A 46 4.997 -14.206 -4.751 1.00 0.86 O ATOM 715 OE2 GLU A 46 3.237 -13.801 -5.993 1.00 0.82 O ATOM 0 H GLU A 46 5.048 -11.267 -8.616 1.00 0.27 H new ATOM 0 HA GLU A 46 4.088 -10.633 -6.052 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.872 -11.564 -6.834 1.00 0.39 H new ATOM 0 HB3 GLU A 46 6.088 -11.774 -5.280 1.00 0.39 H new ATOM 0 HG2 GLU A 46 4.782 -12.925 -7.733 1.00 0.51 H new ATOM 0 HG3 GLU A 46 6.180 -13.737 -7.056 1.00 0.51 H new ATOM 722 N VAL A 47 5.304 -8.609 -5.198 1.00 0.22 N ATOM 723 CA VAL A 47 5.927 -7.358 -4.791 1.00 0.25 C ATOM 724 C VAL A 47 6.193 -7.304 -3.291 1.00 0.23 C ATOM 725 O VAL A 47 5.313 -7.580 -2.475 1.00 0.29 O ATOM 726 CB VAL A 47 5.080 -6.134 -5.196 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.112 -5.937 -6.703 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.646 -6.277 -4.705 1.00 0.35 C ATOM 0 H VAL A 47 4.564 -8.942 -4.580 1.00 0.22 H new ATOM 0 HA VAL A 47 6.881 -7.322 -5.316 1.00 0.25 H new ATOM 0 HB VAL A 47 5.513 -5.252 -4.723 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.509 -5.069 -6.969 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.140 -5.778 -7.027 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.710 -6.823 -7.194 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.070 -5.401 -5.004 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.200 -7.171 -5.141 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.640 -6.362 -3.618 1.00 0.35 H new ATOM 738 N TYR A 48 7.425 -6.946 -2.948 1.00 0.22 N ATOM 739 CA TYR A 48 7.847 -6.816 -1.559 1.00 0.22 C ATOM 740 C TYR A 48 7.940 -5.334 -1.201 1.00 0.22 C ATOM 741 O TYR A 48 8.794 -4.614 -1.725 1.00 0.29 O ATOM 742 CB TYR A 48 9.199 -7.511 -1.352 1.00 0.25 C ATOM 743 CG TYR A 48 9.801 -7.298 0.018 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.275 -7.928 1.138 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.900 -6.466 0.188 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.827 -7.734 2.389 1.00 0.66 C ATOM 747 CE2 TYR A 48 11.458 -6.268 1.435 1.00 0.74 C ATOM 748 CZ TYR A 48 10.919 -6.902 2.531 1.00 0.72 C ATOM 749 OH TYR A 48 11.478 -6.705 3.776 1.00 0.92 O ATOM 0 H TYR A 48 8.159 -6.738 -3.625 1.00 0.22 H new ATOM 0 HA TYR A 48 7.117 -7.295 -0.906 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.074 -8.581 -1.520 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.900 -7.150 -2.105 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.421 -8.580 1.029 1.00 0.49 H new ATOM 0 HD2 TYR A 48 11.325 -5.966 -0.670 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.407 -8.230 3.251 1.00 0.66 H new ATOM 0 HE2 TYR A 48 12.313 -5.619 1.550 1.00 0.74 H new ATOM 0 HH TYR A 48 10.827 -6.945 4.468 1.00 0.92 H new ATOM 759 N ILE A 49 7.049 -4.882 -0.325 1.00 0.21 N ATOM 760 CA ILE A 49 7.016 -3.483 0.084 1.00 0.22 C ATOM 761 C ILE A 49 7.907 -3.231 1.300 1.00 0.23 C ATOM 762 O ILE A 49 7.828 -3.945 2.301 1.00 0.37 O ATOM 763 CB ILE A 49 5.573 -3.029 0.407 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.644 -3.330 -0.774 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.545 -1.545 0.745 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.181 -3.058 -0.488 1.00 0.38 C ATOM 0 H ILE A 49 6.339 -5.466 0.116 1.00 0.21 H new ATOM 0 HA ILE A 49 7.396 -2.901 -0.756 1.00 0.22 H new ATOM 0 HB ILE A 49 5.220 -3.585 1.275 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.954 -2.731 -1.630 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.760 -4.376 -1.058 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.522 -1.242 0.970 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.178 -1.357 1.612 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.915 -0.971 -0.105 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.587 -3.295 -1.371 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.852 -3.677 0.347 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.049 -2.006 -0.234 1.00 0.38 H new ATOM 778 N LYS A 50 8.756 -2.216 1.207 1.00 0.21 N ATOM 779 CA LYS A 50 9.652 -1.867 2.299 1.00 0.25 C ATOM 780 C LYS A 50 9.542 -0.380 2.631 1.00 0.21 C ATOM 781 O LYS A 50 9.889 0.475 1.815 1.00 0.26 O ATOM 782 CB LYS A 50 11.098 -2.231 1.942 1.00 0.34 C ATOM 783 CG LYS A 50 12.119 -1.833 3.002 1.00 0.49 C ATOM 784 CD LYS A 50 11.732 -2.332 4.390 1.00 0.73 C ATOM 785 CE LYS A 50 11.517 -3.841 4.417 1.00 1.35 C ATOM 786 NZ LYS A 50 12.766 -4.599 4.135 1.00 1.74 N ATOM 0 H LYS A 50 8.842 -1.619 0.384 1.00 0.21 H new ATOM 0 HA LYS A 50 9.358 -2.438 3.180 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.161 -3.307 1.778 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.361 -1.749 1.000 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.096 -2.235 2.732 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.215 -0.747 3.022 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.513 -2.065 5.102 1.00 0.73 H new ATOM 0 HD3 LYS A 50 10.820 -1.830 4.714 1.00 0.73 H new ATOM 0 HE2 LYS A 50 11.132 -4.133 5.394 1.00 1.35 H new ATOM 0 HE3 LYS A 50 10.759 -4.110 3.682 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 12.548 -5.613 4.064 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 13.177 -4.270 3.238 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 13.447 -4.444 4.905 1.00 1.74 H new ATOM 800 N SER A 51 9.037 -0.079 3.821 1.00 0.24 N ATOM 801 CA SER A 51 8.886 1.300 4.263 1.00 0.25 C ATOM 802 C SER A 51 10.008 1.664 5.232 1.00 0.25 C ATOM 803 O SER A 51 10.142 1.055 6.293 1.00 0.33 O ATOM 804 CB SER A 51 7.520 1.498 4.929 1.00 0.32 C ATOM 805 OG SER A 51 6.456 1.070 4.085 1.00 0.53 O ATOM 0 H SER A 51 8.724 -0.774 4.499 1.00 0.24 H new ATOM 0 HA SER A 51 8.946 1.957 3.395 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.488 0.942 5.866 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.386 2.551 5.179 1.00 0.32 H new ATOM 0 HG SER A 51 6.767 1.039 3.156 1.00 0.53 H new ATOM 811 N THR A 52 10.806 2.654 4.851 1.00 0.24 N ATOM 812 CA THR A 52 11.931 3.117 5.657 1.00 0.28 C ATOM 813 C THR A 52 13.114 2.156 5.526 1.00 0.28 C ATOM 814 O THR A 52 13.005 0.978 5.867 1.00 0.34 O ATOM 815 CB THR A 52 11.554 3.280 7.148 1.00 0.32 C ATOM 816 OG1 THR A 52 10.358 4.075 7.277 1.00 0.35 O ATOM 817 CG2 THR A 52 12.685 3.935 7.926 1.00 0.38 C ATOM 0 H THR A 52 10.692 3.160 3.973 1.00 0.24 H new ATOM 0 HA THR A 52 12.213 4.099 5.276 1.00 0.28 H new ATOM 0 HB THR A 52 11.375 2.287 7.559 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.500 4.950 6.860 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.395 4.038 8.972 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.580 3.317 7.857 1.00 0.38 H new ATOM 0 HG23 THR A 52 12.892 4.920 7.508 1.00 0.38 H new ATOM 825 N GLU A 53 14.236 2.671 5.017 1.00 0.31 N ATOM 826 CA GLU A 53 15.453 1.875 4.826 1.00 0.35 C ATOM 827 C GLU A 53 15.647 0.884 5.974 1.00 0.31 C ATOM 828 O GLU A 53 15.799 -0.318 5.750 1.00 0.37 O ATOM 829 CB GLU A 53 16.669 2.804 4.722 1.00 0.43 C ATOM 830 CG GLU A 53 17.853 2.196 3.984 1.00 0.47 C ATOM 831 CD GLU A 53 17.607 2.065 2.493 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.854 3.042 1.754 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.166 0.984 2.050 1.00 0.74 O ATOM 0 H GLU A 53 14.328 3.645 4.727 1.00 0.31 H new ATOM 0 HA GLU A 53 15.351 1.306 3.902 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.370 3.721 4.214 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.986 3.084 5.727 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.736 2.814 4.150 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.070 1.212 4.400 1.00 0.47 H new ATOM 840 N THR A 54 15.626 1.396 7.198 1.00 0.28 N ATOM 841 CA THR A 54 15.794 0.567 8.380 1.00 0.31 C ATOM 842 C THR A 54 15.032 1.157 9.569 1.00 0.33 C ATOM 843 O THR A 54 15.426 2.192 10.113 1.00 0.52 O ATOM 844 CB THR A 54 17.286 0.425 8.744 1.00 0.40 C ATOM 845 OG1 THR A 54 18.000 1.611 8.359 1.00 0.63 O ATOM 846 CG2 THR A 54 17.901 -0.791 8.061 1.00 0.68 C ATOM 0 H THR A 54 15.493 2.388 7.396 1.00 0.28 H new ATOM 0 HA THR A 54 15.390 -0.419 8.152 1.00 0.31 H new ATOM 0 HB THR A 54 17.362 0.289 9.823 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.946 1.514 8.595 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.953 -0.868 8.334 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.376 -1.692 8.380 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.814 -0.684 6.980 1.00 0.68 H new ATOM 854 N GLY A 55 13.931 0.517 9.956 1.00 0.39 N ATOM 855 CA GLY A 55 13.151 1.009 11.080 1.00 0.44 C ATOM 856 C GLY A 55 11.688 0.604 11.027 1.00 0.42 C ATOM 857 O GLY A 55 11.057 0.419 12.070 1.00 0.76 O ATOM 0 H GLY A 55 13.567 -0.328 9.515 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.589 0.637 12.006 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.218 2.097 11.110 1.00 0.44 H new ATOM 861 N GLN A 56 11.141 0.471 9.822 1.00 0.34 N ATOM 862 CA GLN A 56 9.742 0.090 9.658 1.00 0.30 C ATOM 863 C GLN A 56 9.606 -1.150 8.776 1.00 0.27 C ATOM 864 O GLN A 56 10.541 -1.524 8.062 1.00 0.38 O ATOM 865 CB GLN A 56 8.945 1.252 9.058 1.00 0.37 C ATOM 866 CG GLN A 56 8.615 2.346 10.061 1.00 0.49 C ATOM 867 CD GLN A 56 7.499 1.949 11.011 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.324 2.195 10.742 1.00 1.02 O ATOM 869 NE2 GLN A 56 7.854 1.334 12.131 1.00 0.89 N ATOM 0 H GLN A 56 11.644 0.621 8.947 1.00 0.34 H new ATOM 0 HA GLN A 56 9.340 -0.149 10.643 1.00 0.30 H new ATOM 0 HB2 GLN A 56 9.514 1.685 8.235 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.017 0.866 8.636 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.508 2.588 10.637 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.327 3.250 9.525 1.00 0.49 H new ATOM 0 HE21 GLN A 56 8.839 1.147 12.320 1.00 0.89 H new ATOM 0 HE22 GLN A 56 7.142 1.048 12.803 1.00 0.89 H new ATOM 878 N TYR A 57 8.443 -1.791 8.848 1.00 0.24 N ATOM 879 CA TYR A 57 8.160 -2.984 8.059 1.00 0.23 C ATOM 880 C TYR A 57 6.686 -3.003 7.662 1.00 0.25 C ATOM 881 O TYR A 57 5.809 -3.176 8.507 1.00 0.42 O ATOM 882 CB TYR A 57 8.515 -4.248 8.849 1.00 0.26 C ATOM 883 CG TYR A 57 9.176 -5.322 8.014 1.00 0.35 C ATOM 884 CD1 TYR A 57 10.554 -5.348 7.861 1.00 0.53 C ATOM 885 CD2 TYR A 57 8.426 -6.308 7.380 1.00 0.54 C ATOM 886 CE1 TYR A 57 11.170 -6.321 7.099 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.036 -7.287 6.617 1.00 0.73 C ATOM 888 CZ TYR A 57 10.408 -7.290 6.481 1.00 0.79 C ATOM 889 OH TYR A 57 11.024 -8.258 5.714 1.00 1.03 O ATOM 0 H TYR A 57 7.674 -1.499 9.452 1.00 0.24 H new ATOM 0 HA TYR A 57 8.771 -2.962 7.157 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.180 -3.978 9.670 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.607 -4.654 9.295 1.00 0.26 H new ATOM 0 HD1 TYR A 57 11.156 -4.594 8.346 1.00 0.53 H new ATOM 0 HD2 TYR A 57 7.351 -6.309 7.485 1.00 0.54 H new ATOM 0 HE1 TYR A 57 12.244 -6.323 6.988 1.00 0.73 H new ATOM 0 HE2 TYR A 57 8.441 -8.045 6.130 1.00 0.73 H new ATOM 0 HH TYR A 57 11.842 -7.891 5.318 1.00 1.03 H new ATOM 899 N LEU A 58 6.419 -2.810 6.375 1.00 0.20 N ATOM 900 CA LEU A 58 5.050 -2.789 5.873 1.00 0.22 C ATOM 901 C LEU A 58 4.421 -4.176 5.965 1.00 0.23 C ATOM 902 O LEU A 58 4.820 -5.104 5.254 1.00 0.30 O ATOM 903 CB LEU A 58 5.019 -2.281 4.424 1.00 0.27 C ATOM 904 CG LEU A 58 3.675 -1.717 3.944 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.619 -2.807 3.891 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.219 -0.573 4.840 1.00 0.38 C ATOM 0 H LEU A 58 7.132 -2.666 5.660 1.00 0.20 H new ATOM 0 HA LEU A 58 4.468 -2.107 6.493 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.777 -1.506 4.314 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.304 -3.101 3.765 1.00 0.27 H new ATOM 0 HG LEU A 58 3.814 -1.328 2.935 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.675 -2.383 3.548 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.937 -3.589 3.201 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.485 -3.233 4.885 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.264 -0.188 4.481 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.104 -0.935 5.862 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.962 0.224 4.819 1.00 0.38 H new ATOM 918 N ALA A 59 3.442 -4.309 6.847 1.00 0.23 N ATOM 919 CA ALA A 59 2.749 -5.570 7.040 1.00 0.27 C ATOM 920 C ALA A 59 1.240 -5.351 7.076 1.00 0.24 C ATOM 921 O ALA A 59 0.762 -4.281 7.466 1.00 0.26 O ATOM 922 CB ALA A 59 3.228 -6.244 8.318 1.00 0.35 C ATOM 0 H ALA A 59 3.109 -3.552 7.444 1.00 0.23 H new ATOM 0 HA ALA A 59 2.976 -6.226 6.199 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.700 -7.189 8.451 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.299 -6.433 8.250 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.028 -5.594 9.169 1.00 0.35 H new ATOM 928 N MET A 60 0.492 -6.365 6.659 1.00 0.28 N ATOM 929 CA MET A 60 -0.963 -6.288 6.633 1.00 0.30 C ATOM 930 C MET A 60 -1.583 -7.193 7.690 1.00 0.26 C ATOM 931 O MET A 60 -1.259 -8.378 7.770 1.00 0.44 O ATOM 932 CB MET A 60 -1.508 -6.665 5.248 1.00 0.40 C ATOM 933 CG MET A 60 -1.140 -8.075 4.793 1.00 0.73 C ATOM 934 SD MET A 60 -2.567 -9.030 4.232 1.00 0.93 S ATOM 935 CE MET A 60 -3.412 -9.307 5.785 1.00 1.97 C ATOM 0 H MET A 60 0.871 -7.254 6.333 1.00 0.28 H new ATOM 0 HA MET A 60 -1.236 -5.256 6.853 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.594 -6.571 5.259 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.134 -5.950 4.516 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.412 -8.012 3.985 1.00 0.73 H new ATOM 0 HG3 MET A 60 -0.658 -8.602 5.616 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.309 -9.901 5.610 1.00 1.97 H new ATOM 0 HE2 MET A 60 -2.751 -9.840 6.469 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.691 -8.349 6.223 1.00 1.97 H new ATOM 945 N ASP A 61 -2.466 -6.627 8.501 1.00 0.30 N ATOM 946 CA ASP A 61 -3.148 -7.391 9.537 1.00 0.31 C ATOM 947 C ASP A 61 -4.179 -8.306 8.893 1.00 0.29 C ATOM 948 O ASP A 61 -4.939 -7.872 8.019 1.00 0.34 O ATOM 949 CB ASP A 61 -3.830 -6.466 10.548 1.00 0.42 C ATOM 950 CG ASP A 61 -4.406 -7.230 11.726 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.395 -7.968 11.535 1.00 0.96 O ATOM 952 OD2 ASP A 61 -3.867 -7.093 12.847 1.00 0.94 O ATOM 0 H ASP A 61 -2.727 -5.642 8.462 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.408 -7.987 10.072 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.110 -5.732 10.910 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.627 -5.912 10.051 1.00 0.42 H new ATOM 957 N THR A 62 -4.206 -9.560 9.324 1.00 0.37 N ATOM 958 CA THR A 62 -5.128 -10.553 8.779 1.00 0.44 C ATOM 959 C THR A 62 -6.557 -10.006 8.643 1.00 0.41 C ATOM 960 O THR A 62 -7.241 -10.286 7.652 1.00 0.50 O ATOM 961 CB THR A 62 -5.137 -11.843 9.640 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.820 -12.896 8.945 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.797 -11.601 10.991 1.00 0.74 C ATOM 0 H THR A 62 -3.594 -9.918 10.057 1.00 0.37 H new ATOM 0 HA THR A 62 -4.765 -10.796 7.780 1.00 0.44 H new ATOM 0 HB THR A 62 -4.102 -12.137 9.815 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.819 -13.706 9.496 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.788 -12.524 11.571 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.249 -10.828 11.530 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.827 -11.278 10.840 1.00 0.74 H new ATOM 971 N ASP A 63 -6.999 -9.210 9.618 1.00 0.36 N ATOM 972 CA ASP A 63 -8.351 -8.649 9.584 1.00 0.41 C ATOM 973 C ASP A 63 -8.517 -7.688 8.408 1.00 0.40 C ATOM 974 O ASP A 63 -9.602 -7.576 7.836 1.00 0.65 O ATOM 975 CB ASP A 63 -8.683 -7.925 10.893 1.00 0.47 C ATOM 976 CG ASP A 63 -10.126 -7.457 10.934 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.008 -8.257 11.309 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.389 -6.289 10.584 1.00 0.75 O ATOM 0 H ASP A 63 -6.448 -8.941 10.433 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.044 -9.481 9.459 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.494 -8.592 11.734 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.020 -7.068 11.011 1.00 0.47 H new ATOM 983 N GLY A 64 -7.436 -7.006 8.043 1.00 0.45 N ATOM 984 CA GLY A 64 -7.483 -6.069 6.937 1.00 0.50 C ATOM 985 C GLY A 64 -7.002 -4.685 7.321 1.00 0.43 C ATOM 986 O GLY A 64 -7.665 -3.687 7.019 1.00 0.64 O ATOM 0 H GLY A 64 -6.526 -7.087 8.496 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -6.870 -6.448 6.119 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.506 -6.003 6.565 1.00 0.50 H new ATOM 990 N LEU A 65 -5.844 -4.627 7.973 1.00 0.40 N ATOM 991 CA LEU A 65 -5.254 -3.367 8.409 1.00 0.34 C ATOM 992 C LEU A 65 -3.797 -3.290 7.948 1.00 0.33 C ATOM 993 O LEU A 65 -3.033 -4.238 8.139 1.00 0.60 O ATOM 994 CB LEU A 65 -5.348 -3.250 9.940 1.00 0.37 C ATOM 995 CG LEU A 65 -4.886 -1.919 10.551 1.00 0.71 C ATOM 996 CD1 LEU A 65 -3.368 -1.851 10.615 1.00 1.23 C ATOM 997 CD2 LEU A 65 -5.440 -0.737 9.767 1.00 1.16 C ATOM 0 H LEU A 65 -5.291 -5.450 8.213 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.802 -2.536 7.964 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.384 -3.419 10.233 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.757 -4.052 10.381 1.00 0.37 H new ATOM 0 HG LEU A 65 -5.275 -1.866 11.568 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -3.064 -0.899 11.051 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -2.993 -2.669 11.231 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -2.957 -1.936 9.609 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -5.098 0.193 10.221 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -5.090 -0.788 8.736 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -6.529 -0.769 9.782 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.421 -2.179 7.327 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.058 -1.998 6.837 1.00 0.36 C ATOM 1011 C LEU A 66 -1.229 -1.232 7.863 1.00 0.34 C ATOM 1012 O LEU A 66 -1.609 -0.135 8.281 1.00 0.45 O ATOM 1013 CB LEU A 66 -2.064 -1.250 5.498 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.627 -2.033 4.303 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.114 -2.310 4.479 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.372 -1.277 3.006 1.00 0.61 C ATOM 0 H LEU A 66 -4.041 -1.388 7.150 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.611 -2.980 6.684 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.645 -0.335 5.616 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.042 -0.951 5.265 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.112 -2.992 4.254 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.485 -2.866 3.618 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.270 -2.897 5.384 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.653 -1.366 4.561 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.777 -1.845 2.168 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.857 -0.302 3.052 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -1.299 -1.142 2.868 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.106 -1.812 8.272 1.00 0.28 N ATOM 1029 CA TYR A 67 0.759 -1.181 9.260 1.00 0.33 C ATOM 1030 C TYR A 67 2.233 -1.340 8.893 1.00 0.30 C ATOM 1031 O TYR A 67 2.605 -2.249 8.151 1.00 0.32 O ATOM 1032 CB TYR A 67 0.494 -1.772 10.652 1.00 0.43 C ATOM 1033 CG TYR A 67 0.693 -3.272 10.746 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.930 -3.811 11.077 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -0.360 -4.146 10.507 1.00 0.45 C ATOM 1036 CE1 TYR A 67 2.111 -5.179 11.167 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -0.187 -5.514 10.597 1.00 0.55 C ATOM 1038 CZ TYR A 67 1.048 -6.026 10.924 1.00 0.63 C ATOM 1039 OH TYR A 67 1.221 -7.393 11.008 1.00 0.80 O ATOM 0 H TYR A 67 0.225 -2.716 7.935 1.00 0.28 H new ATOM 0 HA TYR A 67 0.529 -0.116 9.274 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.153 -1.285 11.371 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.529 -1.535 10.945 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.764 -3.151 11.267 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -1.330 -3.750 10.246 1.00 0.45 H new ATOM 0 HE1 TYR A 67 3.079 -5.583 11.426 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -1.018 -6.179 10.411 1.00 0.55 H new ATOM 0 HH TYR A 67 0.373 -7.843 10.809 1.00 0.80 H new ATOM 1049 N GLY A 68 3.061 -0.436 9.409 1.00 0.34 N ATOM 1050 CA GLY A 68 4.488 -0.484 9.144 1.00 0.38 C ATOM 1051 C GLY A 68 5.285 -0.972 10.344 1.00 0.52 C ATOM 1052 O GLY A 68 6.520 -0.918 10.337 1.00 1.27 O ATOM 0 H GLY A 68 2.766 0.334 10.010 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.675 -1.142 8.295 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.836 0.509 8.860 1.00 0.38 H new ATOM 1056 N SER A 69 4.587 -1.448 11.375 1.00 0.36 N ATOM 1057 CA SER A 69 5.240 -1.946 12.577 1.00 0.39 C ATOM 1058 C SER A 69 6.238 -3.049 12.226 1.00 0.32 C ATOM 1059 O SER A 69 5.891 -4.020 11.555 1.00 0.37 O ATOM 1060 CB SER A 69 4.189 -2.469 13.563 1.00 0.51 C ATOM 1061 OG SER A 69 2.987 -1.715 13.472 1.00 1.23 O ATOM 0 H SER A 69 3.568 -1.498 11.398 1.00 0.36 H new ATOM 0 HA SER A 69 5.786 -1.127 13.045 1.00 0.39 H new ATOM 0 HB2 SER A 69 3.981 -3.519 13.356 1.00 0.51 H new ATOM 0 HB3 SER A 69 4.580 -2.416 14.579 1.00 0.51 H new ATOM 0 HG SER A 69 2.957 -1.058 14.199 1.00 1.23 H new ATOM 1067 N GLN A 70 7.482 -2.880 12.668 1.00 0.31 N ATOM 1068 CA GLN A 70 8.537 -3.852 12.401 1.00 0.33 C ATOM 1069 C GLN A 70 8.095 -5.260 12.800 1.00 0.32 C ATOM 1070 O GLN A 70 8.125 -5.623 13.978 1.00 0.45 O ATOM 1071 CB GLN A 70 9.817 -3.468 13.154 1.00 0.43 C ATOM 1072 CG GLN A 70 11.077 -3.558 12.307 1.00 0.61 C ATOM 1073 CD GLN A 70 11.376 -4.970 11.832 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.029 -5.950 12.490 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.029 -5.082 10.686 1.00 1.29 N ATOM 0 H GLN A 70 7.784 -2.074 13.215 1.00 0.31 H new ATOM 0 HA GLN A 70 8.741 -3.847 11.330 1.00 0.33 H new ATOM 0 HB2 GLN A 70 9.715 -2.450 13.530 1.00 0.43 H new ATOM 0 HB3 GLN A 70 9.926 -4.119 14.022 1.00 0.43 H new ATOM 0 HG2 GLN A 70 10.973 -2.904 11.441 1.00 0.61 H new ATOM 0 HG3 GLN A 70 11.924 -3.189 12.886 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.300 -4.245 10.169 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.261 -6.005 10.320 1.00 1.29 H new ATOM 1084 N THR A 71 7.647 -6.035 11.820 1.00 0.29 N ATOM 1085 CA THR A 71 7.209 -7.404 12.054 1.00 0.33 C ATOM 1086 C THR A 71 7.330 -8.232 10.770 1.00 0.30 C ATOM 1087 O THR A 71 6.389 -8.329 9.983 1.00 0.38 O ATOM 1088 CB THR A 71 5.755 -7.448 12.584 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.578 -6.485 13.639 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.412 -8.834 13.108 1.00 0.58 C ATOM 0 H THR A 71 7.578 -5.735 10.848 1.00 0.29 H new ATOM 0 HA THR A 71 7.859 -7.835 12.816 1.00 0.33 H new ATOM 0 HB THR A 71 5.089 -7.207 11.755 1.00 0.43 H new ATOM 0 HG1 THR A 71 4.654 -6.522 13.964 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.386 -8.841 13.475 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.514 -9.563 12.304 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.090 -9.094 13.921 1.00 0.58 H new ATOM 1098 N PRO A 72 8.513 -8.824 10.535 1.00 0.30 N ATOM 1099 CA PRO A 72 8.769 -9.639 9.342 1.00 0.33 C ATOM 1100 C PRO A 72 7.911 -10.899 9.311 1.00 0.31 C ATOM 1101 O PRO A 72 8.202 -11.876 10.002 1.00 0.44 O ATOM 1102 CB PRO A 72 10.252 -10.001 9.464 1.00 0.44 C ATOM 1103 CG PRO A 72 10.553 -9.880 10.920 1.00 0.50 C ATOM 1104 CD PRO A 72 9.689 -8.761 11.421 1.00 0.41 C ATOM 0 HA PRO A 72 8.526 -9.105 8.424 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.444 -11.011 9.103 1.00 0.44 H new ATOM 0 HB3 PRO A 72 10.874 -9.328 8.874 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.332 -10.810 11.444 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.609 -9.664 11.085 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.414 -8.901 12.466 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.195 -7.798 11.351 1.00 0.41 H new ATOM 1112 N ASN A 73 6.845 -10.866 8.521 1.00 0.28 N ATOM 1113 CA ASN A 73 5.945 -12.006 8.400 1.00 0.31 C ATOM 1114 C ASN A 73 5.488 -12.176 6.949 1.00 0.28 C ATOM 1115 O ASN A 73 5.532 -11.228 6.158 1.00 0.31 O ATOM 1116 CB ASN A 73 4.735 -11.829 9.328 1.00 0.38 C ATOM 1117 CG ASN A 73 4.021 -13.139 9.631 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.951 -14.037 8.792 1.00 1.01 O ATOM 1119 ND2 ASN A 73 3.489 -13.263 10.839 1.00 1.26 N ATOM 0 H ASN A 73 6.582 -10.060 7.953 1.00 0.28 H new ATOM 0 HA ASN A 73 6.482 -12.906 8.698 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.065 -11.376 10.263 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.031 -11.135 8.869 1.00 0.38 H new ATOM 0 HD21 ASN A 73 3.004 -14.122 11.097 1.00 1.26 H new ATOM 0 HD22 ASN A 73 3.565 -12.499 11.511 1.00 1.26 H new ATOM 1126 N GLU A 74 5.037 -13.380 6.615 1.00 0.28 N ATOM 1127 CA GLU A 74 4.575 -13.703 5.263 1.00 0.30 C ATOM 1128 C GLU A 74 3.570 -12.672 4.751 1.00 0.28 C ATOM 1129 O GLU A 74 3.467 -12.434 3.546 1.00 0.31 O ATOM 1130 CB GLU A 74 3.941 -15.094 5.239 1.00 0.37 C ATOM 1131 CG GLU A 74 4.861 -16.195 5.739 1.00 0.45 C ATOM 1132 CD GLU A 74 4.165 -17.534 5.823 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.243 -17.677 6.655 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.528 -18.446 5.058 1.00 0.79 O ATOM 0 H GLU A 74 4.980 -14.160 7.269 1.00 0.28 H new ATOM 0 HA GLU A 74 5.444 -13.686 4.606 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.038 -15.082 5.850 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.633 -15.325 4.219 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.720 -16.277 5.074 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.244 -15.925 6.723 1.00 0.45 H new ATOM 1141 N GLU A 75 2.838 -12.056 5.676 1.00 0.28 N ATOM 1142 CA GLU A 75 1.840 -11.046 5.331 1.00 0.30 C ATOM 1143 C GLU A 75 2.434 -9.955 4.430 1.00 0.34 C ATOM 1144 O GLU A 75 1.697 -9.256 3.735 1.00 0.60 O ATOM 1145 CB GLU A 75 1.249 -10.401 6.593 1.00 0.37 C ATOM 1146 CG GLU A 75 0.965 -11.373 7.730 1.00 0.49 C ATOM 1147 CD GLU A 75 0.378 -12.688 7.258 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.778 -12.696 6.789 1.00 1.21 O ATOM 1149 OE2 GLU A 75 1.064 -13.724 7.379 1.00 1.26 O ATOM 0 H GLU A 75 2.918 -12.240 6.676 1.00 0.28 H new ATOM 0 HA GLU A 75 1.046 -11.556 4.785 1.00 0.30 H new ATOM 0 HB2 GLU A 75 1.938 -9.636 6.951 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.322 -9.895 6.326 1.00 0.37 H new ATOM 0 HG2 GLU A 75 1.890 -11.569 8.272 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.276 -10.907 8.434 1.00 0.49 H new ATOM 1156 N CYS A 76 3.763 -9.811 4.450 1.00 0.25 N ATOM 1157 CA CYS A 76 4.446 -8.810 3.635 1.00 0.28 C ATOM 1158 C CYS A 76 4.372 -9.148 2.137 1.00 0.28 C ATOM 1159 O CYS A 76 4.635 -8.294 1.291 1.00 0.36 O ATOM 1160 CB CYS A 76 5.912 -8.689 4.067 1.00 0.31 C ATOM 1161 SG CYS A 76 6.525 -6.990 4.164 1.00 0.49 S ATOM 0 H CYS A 76 4.386 -10.379 5.025 1.00 0.25 H new ATOM 0 HA CYS A 76 3.939 -7.858 3.790 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.031 -9.161 5.042 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.532 -9.247 3.365 1.00 0.31 H new ATOM 0 HG CYS A 76 5.546 -6.192 4.472 1.00 0.49 H new ATOM 1167 N LEU A 77 4.028 -10.394 1.804 1.00 0.27 N ATOM 1168 CA LEU A 77 3.929 -10.807 0.406 1.00 0.31 C ATOM 1169 C LEU A 77 2.672 -10.230 -0.243 1.00 0.25 C ATOM 1170 O LEU A 77 1.561 -10.731 -0.031 1.00 0.31 O ATOM 1171 CB LEU A 77 3.934 -12.338 0.293 1.00 0.41 C ATOM 1172 CG LEU A 77 5.319 -12.996 0.327 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.139 -12.575 -0.882 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.053 -12.651 1.616 1.00 0.58 C ATOM 0 H LEU A 77 3.815 -11.128 2.479 1.00 0.27 H new ATOM 0 HA LEU A 77 4.798 -10.417 -0.124 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.336 -12.747 1.107 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.440 -12.618 -0.637 1.00 0.41 H new ATOM 0 HG LEU A 77 5.182 -14.077 0.293 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.119 -13.051 -0.841 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.625 -12.879 -1.794 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.262 -11.492 -0.879 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.032 -13.129 1.616 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.177 -11.570 1.686 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.476 -13.006 2.470 1.00 0.58 H new ATOM 1186 N PHE A 78 2.855 -9.175 -1.031 1.00 0.21 N ATOM 1187 CA PHE A 78 1.747 -8.517 -1.713 1.00 0.21 C ATOM 1188 C PHE A 78 1.877 -8.657 -3.228 1.00 0.19 C ATOM 1189 O PHE A 78 2.930 -9.048 -3.745 1.00 0.23 O ATOM 1190 CB PHE A 78 1.690 -7.028 -1.339 1.00 0.26 C ATOM 1191 CG PHE A 78 1.438 -6.775 0.122 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.159 -6.874 0.645 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.480 -6.432 0.968 1.00 0.32 C ATOM 1194 CE1 PHE A 78 -0.074 -6.636 1.986 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.252 -6.193 2.310 1.00 0.38 C ATOM 1196 CZ PHE A 78 0.973 -6.295 2.819 1.00 0.45 C ATOM 0 H PHE A 78 3.767 -8.756 -1.213 1.00 0.21 H new ATOM 0 HA PHE A 78 0.826 -9.003 -1.393 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.631 -6.556 -1.622 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.904 -6.547 -1.922 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.664 -7.140 -0.002 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.482 -6.350 0.574 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -1.075 -6.717 2.383 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.073 -5.927 2.959 1.00 0.38 H new ATOM 0 HZ PHE A 78 0.792 -6.108 3.867 1.00 0.45 H new ATOM 1206 N LEU A 79 0.791 -8.347 -3.926 1.00 0.21 N ATOM 1207 CA LEU A 79 0.749 -8.405 -5.379 1.00 0.21 C ATOM 1208 C LEU A 79 0.356 -7.036 -5.930 1.00 0.20 C ATOM 1209 O LEU A 79 -0.717 -6.516 -5.599 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.255 -9.473 -5.833 1.00 0.24 C ATOM 1211 CG LEU A 79 0.086 -10.195 -7.144 1.00 0.30 C ATOM 1212 CD1 LEU A 79 0.222 -9.205 -8.294 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.363 -11.009 -6.987 1.00 0.35 C ATOM 0 H LEU A 79 -0.085 -8.048 -3.498 1.00 0.21 H new ATOM 0 HA LEU A 79 1.734 -8.673 -5.761 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.346 -10.218 -5.043 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.232 -9.003 -5.942 1.00 0.24 H new ATOM 0 HG LEU A 79 -0.733 -10.875 -7.379 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.464 -9.743 -9.211 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.718 -8.668 -8.425 1.00 0.34 H new ATOM 0 HD13 LEU A 79 1.017 -8.494 -8.070 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.590 -11.514 -7.926 1.00 0.35 H new ATOM 0 HD22 LEU A 79 2.187 -10.346 -6.723 1.00 0.35 H new ATOM 0 HD23 LEU A 79 1.227 -11.750 -6.199 1.00 0.35 H new ATOM 1225 N GLU A 80 1.229 -6.449 -6.746 1.00 0.21 N ATOM 1226 CA GLU A 80 0.973 -5.134 -7.333 1.00 0.22 C ATOM 1227 C GLU A 80 0.637 -5.275 -8.813 1.00 0.22 C ATOM 1228 O GLU A 80 1.438 -5.791 -9.593 1.00 0.35 O ATOM 1229 CB GLU A 80 2.190 -4.215 -7.157 1.00 0.28 C ATOM 1230 CG GLU A 80 1.989 -2.808 -7.710 1.00 0.33 C ATOM 1231 CD GLU A 80 3.266 -1.985 -7.707 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.148 -2.244 -8.546 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.393 -1.060 -6.872 1.00 0.45 O ATOM 0 H GLU A 80 2.121 -6.863 -7.016 1.00 0.21 H new ATOM 0 HA GLU A 80 0.124 -4.687 -6.816 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.430 -4.147 -6.096 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.050 -4.669 -7.650 1.00 0.28 H new ATOM 0 HG2 GLU A 80 1.608 -2.874 -8.729 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.231 -2.295 -7.118 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.556 -4.834 -9.192 1.00 0.20 N ATOM 1241 CA ARG A 81 -0.992 -4.907 -10.581 1.00 0.23 C ATOM 1242 C ARG A 81 -1.107 -3.509 -11.179 1.00 0.20 C ATOM 1243 O ARG A 81 -2.148 -2.858 -11.070 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.334 -5.637 -10.695 1.00 0.29 C ATOM 1245 CG ARG A 81 -2.755 -5.908 -12.131 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.150 -6.505 -12.205 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.508 -6.884 -13.572 1.00 0.69 N ATOM 1248 CZ ARG A 81 -5.737 -7.235 -13.964 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.746 -7.240 -13.092 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -5.956 -7.573 -15.233 1.00 1.02 N ATOM 0 H ARG A 81 -1.239 -4.422 -8.557 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.244 -5.470 -11.139 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.271 -6.583 -10.158 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.105 -5.043 -10.204 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -2.726 -4.979 -12.700 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.043 -6.589 -12.597 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.205 -7.381 -11.559 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -4.874 -5.784 -11.826 1.00 0.50 H new ATOM 0 HE ARG A 81 -3.769 -6.880 -14.275 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.582 -6.975 -12.121 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.682 -7.509 -13.396 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.187 -7.564 -15.903 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -6.893 -7.841 -15.535 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.027 -3.043 -11.792 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.009 -1.724 -12.413 1.00 0.24 C ATOM 1266 C LEU A 82 -0.788 -1.751 -13.726 1.00 0.27 C ATOM 1267 O LEU A 82 -0.400 -2.441 -14.667 1.00 0.40 O ATOM 1268 CB LEU A 82 1.436 -1.277 -12.665 1.00 0.32 C ATOM 1269 CG LEU A 82 1.605 0.170 -13.142 1.00 0.36 C ATOM 1270 CD1 LEU A 82 1.146 1.142 -12.066 1.00 0.43 C ATOM 1271 CD2 LEU A 82 3.054 0.436 -13.524 1.00 0.54 C ATOM 0 H LEU A 82 0.849 -3.559 -11.873 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.483 -1.012 -11.738 1.00 0.24 H new ATOM 0 HB2 LEU A 82 2.004 -1.406 -11.744 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.879 -1.940 -13.408 1.00 0.32 H new ATOM 0 HG LEU A 82 0.984 0.320 -14.025 1.00 0.36 H new ATOM 0 HD11 LEU A 82 1.273 2.165 -12.421 1.00 0.43 H new ATOM 0 HD12 LEU A 82 0.095 0.964 -11.840 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.741 0.995 -11.165 1.00 0.43 H new ATOM 0 HD21 LEU A 82 3.158 1.467 -13.861 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.695 0.271 -12.658 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.348 -0.239 -14.327 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.882 -0.996 -13.786 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.711 -0.945 -14.989 1.00 0.36 C ATOM 1285 C GLU A 83 -2.165 0.076 -15.995 1.00 0.44 C ATOM 1286 O GLU A 83 -2.745 0.261 -17.067 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.158 -0.583 -14.627 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.161 -0.874 -15.736 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.452 -0.092 -15.591 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.376 -0.582 -14.907 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -6.559 1.005 -16.180 1.00 1.24 O ATOM 0 H GLU A 83 -2.215 -0.412 -13.019 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.689 -1.933 -15.448 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.448 -1.136 -13.733 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.206 0.477 -14.376 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.707 -0.639 -16.699 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.388 -1.940 -15.742 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.067 0.750 -15.642 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.445 1.754 -16.508 1.00 0.38 C ATOM 1300 C GLU A 84 -1.261 3.050 -16.523 1.00 0.31 C ATOM 1301 O GLU A 84 -0.707 4.140 -16.355 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.246 1.203 -17.933 1.00 0.50 C ATOM 1303 CG GLU A 84 -0.592 2.183 -19.043 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.265 1.651 -20.423 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.589 0.480 -20.715 1.00 1.14 O ATOM 1306 OE2 GLU A 84 0.307 2.408 -21.230 1.00 1.23 O ATOM 0 H GLU A 84 -0.587 0.616 -14.752 1.00 0.37 H new ATOM 0 HA GLU A 84 0.538 1.988 -16.100 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.793 0.896 -18.048 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.858 0.309 -18.052 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -1.655 2.420 -18.993 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -0.050 3.114 -18.880 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.573 2.930 -16.711 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.462 4.088 -16.743 1.00 0.37 C ATOM 1315 C ASN A 85 -3.532 4.772 -15.374 1.00 0.29 C ATOM 1316 O ASN A 85 -4.557 4.727 -14.694 1.00 0.33 O ATOM 1317 CB ASN A 85 -4.864 3.668 -17.201 1.00 0.49 C ATOM 1318 CG ASN A 85 -5.881 4.793 -17.094 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.540 5.973 -17.218 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.134 4.436 -16.852 1.00 0.79 N ATOM 0 H ASN A 85 -3.046 2.036 -16.844 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.056 4.805 -17.456 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -4.816 3.325 -18.235 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.199 2.823 -16.600 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -7.859 5.148 -16.761 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.374 3.449 -16.756 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.416 5.376 -14.965 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.324 6.095 -13.690 1.00 0.33 C ATOM 1329 C HIS A 86 -3.023 5.350 -12.546 1.00 0.30 C ATOM 1330 O HIS A 86 -3.603 5.970 -11.654 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.908 7.511 -13.840 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.412 7.582 -13.841 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.181 7.399 -14.972 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.287 7.841 -12.838 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.455 7.541 -14.667 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.548 7.809 -13.377 1.00 0.71 N ATOM 0 H HIS A 86 -1.551 5.382 -15.505 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.267 6.161 -13.430 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.530 8.131 -13.027 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.538 7.944 -14.770 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -4.819 7.186 -15.902 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.037 8.036 -11.806 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.283 7.453 -15.355 1.00 0.78 H new ATOM 1345 N TYR A 87 -2.950 4.024 -12.559 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.589 3.221 -11.526 1.00 0.34 C ATOM 1347 C TYR A 87 -2.934 1.842 -11.410 1.00 0.24 C ATOM 1348 O TYR A 87 -2.325 1.342 -12.362 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.097 3.077 -11.816 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.681 1.753 -11.366 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.073 1.549 -10.047 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -5.807 0.698 -12.258 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.579 0.330 -9.636 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -6.305 -0.523 -11.854 1.00 1.03 C ATOM 1355 CZ TYR A 87 -6.689 -0.702 -10.544 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.175 -1.927 -10.139 1.00 1.27 O ATOM 0 H TYR A 87 -2.457 3.485 -13.271 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.460 3.734 -10.573 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.632 3.887 -11.320 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.265 3.193 -12.887 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.981 2.355 -9.334 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -5.510 0.835 -13.287 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -6.886 0.187 -8.611 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -6.393 -1.334 -12.561 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.405 -2.464 -10.926 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.065 1.241 -10.234 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.514 -0.079 -9.970 1.00 0.20 C ATOM 1368 C ASN A 88 -3.354 -0.793 -8.913 1.00 0.20 C ATOM 1369 O ASN A 88 -3.910 -0.149 -8.018 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.058 0.035 -9.505 1.00 0.21 C ATOM 1371 CG ASN A 88 -0.933 0.175 -7.997 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.226 1.359 -7.477 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.602 -0.781 -7.305 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.554 1.654 -9.440 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.538 -0.661 -10.891 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.507 -0.847 -9.831 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.594 0.896 -9.985 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.384 -1.676 -7.743 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.544 -0.681 -6.292 1.00 0.24 H new ATOM 1380 N THR A 89 -3.468 -2.109 -9.036 1.00 0.23 N ATOM 1381 CA THR A 89 -4.231 -2.910 -8.089 1.00 0.26 C ATOM 1382 C THR A 89 -3.308 -3.513 -7.031 1.00 0.21 C ATOM 1383 O THR A 89 -2.288 -4.120 -7.367 1.00 0.25 O ATOM 1384 CB THR A 89 -4.991 -4.055 -8.796 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.356 -3.663 -10.126 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.242 -4.434 -8.016 1.00 0.72 C ATOM 0 H THR A 89 -3.038 -2.647 -9.788 1.00 0.23 H new ATOM 0 HA THR A 89 -4.954 -2.245 -7.617 1.00 0.26 H new ATOM 0 HB THR A 89 -4.330 -4.920 -8.844 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.782 -2.781 -10.102 1.00 0.57 H new ATOM 0 HG21 THR A 89 -6.762 -5.242 -8.532 1.00 0.72 H new ATOM 0 HG22 THR A 89 -5.961 -4.764 -7.016 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.900 -3.569 -7.941 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.665 -3.344 -5.762 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.873 -3.878 -4.659 1.00 0.21 C ATOM 1396 C TYR A 90 -3.646 -4.967 -3.921 1.00 0.23 C ATOM 1397 O TYR A 90 -4.741 -4.717 -3.411 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.498 -2.766 -3.672 1.00 0.27 C ATOM 1399 CG TYR A 90 -1.261 -1.983 -4.050 1.00 0.25 C ATOM 1400 CD1 TYR A 90 -0.044 -2.622 -4.262 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.307 -0.602 -4.181 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.087 -1.905 -4.596 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.180 0.121 -4.517 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.016 -0.533 -4.722 1.00 0.31 C ATOM 1405 OH TYR A 90 2.143 0.184 -5.055 1.00 0.36 O ATOM 0 H TYR A 90 -4.502 -2.839 -5.471 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.962 -4.305 -5.079 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -3.337 -2.076 -3.586 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -2.346 -3.208 -2.687 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.017 -3.696 -4.164 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.241 -0.084 -4.017 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.024 -2.416 -4.758 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.235 1.195 -4.619 1.00 0.31 H new ATOM 0 HH TYR A 90 2.841 -0.430 -5.365 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.082 -6.171 -3.870 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.723 -7.289 -3.181 1.00 0.26 C ATOM 1417 C ILE A 91 -2.690 -8.131 -2.435 1.00 0.27 C ATOM 1418 O ILE A 91 -1.512 -8.150 -2.801 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.515 -8.198 -4.150 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.614 -8.715 -5.277 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.710 -7.451 -4.721 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.278 -9.751 -6.159 1.00 0.31 C ATOM 0 H ILE A 91 -2.184 -6.398 -4.297 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.426 -6.853 -2.471 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.879 -9.058 -3.588 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.299 -7.873 -5.894 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.712 -9.146 -4.841 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.257 -8.105 -5.401 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.367 -7.141 -3.909 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.364 -6.571 -5.263 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.581 -10.070 -6.934 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.568 -10.611 -5.555 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.164 -9.319 -6.624 1.00 0.31 H new ATOM 1434 N SER A 92 -3.139 -8.817 -1.389 1.00 0.33 N ATOM 1435 CA SER A 92 -2.266 -9.668 -0.587 1.00 0.37 C ATOM 1436 C SER A 92 -1.997 -10.994 -1.302 1.00 0.31 C ATOM 1437 O SER A 92 -2.914 -11.612 -1.845 1.00 0.44 O ATOM 1438 CB SER A 92 -2.909 -9.929 0.779 1.00 0.50 C ATOM 1439 OG SER A 92 -3.619 -8.789 1.233 1.00 0.82 O ATOM 0 H SER A 92 -4.109 -8.800 -1.075 1.00 0.33 H new ATOM 0 HA SER A 92 -1.315 -9.155 -0.445 1.00 0.37 H new ATOM 0 HB2 SER A 92 -3.587 -10.780 0.709 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.138 -10.194 1.503 1.00 0.50 H new ATOM 0 HG SER A 92 -3.431 -8.644 2.184 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.741 -11.429 -1.295 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.357 -12.677 -1.946 1.00 0.31 C ATOM 1447 C LYS A 93 -0.714 -13.874 -1.067 1.00 0.29 C ATOM 1448 O LYS A 93 -1.418 -14.787 -1.500 1.00 0.35 O ATOM 1449 CB LYS A 93 1.145 -12.663 -2.249 1.00 0.42 C ATOM 1450 CG LYS A 93 1.581 -13.641 -3.332 1.00 0.55 C ATOM 1451 CD LYS A 93 1.466 -15.087 -2.875 1.00 0.74 C ATOM 1452 CE LYS A 93 2.380 -16.010 -3.672 1.00 0.80 C ATOM 1453 NZ LYS A 93 2.117 -15.943 -5.136 1.00 0.80 N ATOM 0 H LYS A 93 0.030 -10.935 -0.845 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.907 -12.769 -2.883 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.432 -11.656 -2.550 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.690 -12.889 -1.332 1.00 0.42 H new ATOM 0 HG2 LYS A 93 0.969 -13.493 -4.222 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.612 -13.432 -3.616 1.00 0.55 H new ATOM 0 HD2 LYS A 93 1.716 -15.154 -1.816 1.00 0.74 H new ATOM 0 HD3 LYS A 93 0.433 -15.420 -2.980 1.00 0.74 H new ATOM 0 HE2 LYS A 93 3.419 -15.743 -3.480 1.00 0.80 H new ATOM 0 HE3 LYS A 93 2.246 -17.036 -3.328 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 2.763 -16.588 -5.635 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 1.134 -16.223 -5.325 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 2.271 -14.971 -5.472 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.237 -13.859 0.176 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.500 -14.951 1.110 1.00 0.31 C ATOM 1469 C LYS A 94 -2.004 -15.186 1.290 1.00 0.31 C ATOM 1470 O LYS A 94 -2.457 -16.331 1.337 1.00 0.56 O ATOM 1471 CB LYS A 94 0.149 -14.664 2.468 1.00 0.36 C ATOM 1472 CG LYS A 94 -0.087 -15.763 3.497 1.00 0.55 C ATOM 1473 CD LYS A 94 0.654 -15.486 4.792 1.00 0.55 C ATOM 1474 CE LYS A 94 0.299 -16.499 5.870 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.088 -16.282 7.111 1.00 0.69 N ATOM 0 H LYS A 94 0.332 -13.104 0.559 1.00 0.28 H new ATOM 0 HA LYS A 94 -0.063 -15.856 0.688 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.222 -14.532 2.329 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -0.240 -13.723 2.857 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -1.155 -15.849 3.700 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.238 -16.720 3.089 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.728 -15.510 4.609 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.413 -14.482 5.142 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.765 -16.429 6.098 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.479 -17.507 5.496 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.531 -16.588 7.934 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 1.968 -16.834 7.064 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.317 -15.272 7.204 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.774 -14.103 1.367 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.223 -14.204 1.556 1.00 0.28 C ATOM 1491 C HIS A 95 -4.961 -14.216 0.217 1.00 0.27 C ATOM 1492 O HIS A 95 -6.054 -13.663 0.105 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.736 -13.043 2.415 1.00 0.36 C ATOM 1494 CG HIS A 95 -4.185 -13.022 3.808 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.855 -13.534 4.898 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -3.016 -12.536 4.285 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -4.125 -13.360 5.984 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -3.001 -12.758 5.638 1.00 0.50 N ATOM 0 H HIS A 95 -2.422 -13.148 1.302 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.421 -15.146 2.067 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.486 -12.103 1.923 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.823 -13.096 2.467 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.238 -12.061 3.706 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -4.400 -13.659 6.985 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -2.246 -12.501 6.273 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.374 -14.863 -0.789 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.981 -14.938 -2.117 1.00 0.35 C ATOM 1509 C ALA A 96 -6.457 -15.339 -2.034 1.00 0.34 C ATOM 1510 O ALA A 96 -7.301 -14.787 -2.745 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.211 -15.917 -2.991 1.00 0.44 C ATOM 0 H ALA A 96 -3.478 -15.343 -0.709 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.932 -13.947 -2.568 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.672 -15.965 -3.977 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.178 -15.583 -3.089 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.230 -16.906 -2.533 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.761 -16.290 -1.150 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.132 -16.767 -0.962 1.00 0.38 C ATOM 1519 C GLU A 97 -9.081 -15.621 -0.596 1.00 0.37 C ATOM 1520 O GLU A 97 -10.287 -15.702 -0.850 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.175 -17.840 0.131 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.429 -19.117 -0.235 1.00 0.57 C ATOM 1523 CD GLU A 97 -7.965 -19.758 -1.501 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.158 -20.120 -1.525 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -7.200 -19.897 -2.477 1.00 0.93 O ATOM 0 H GLU A 97 -6.073 -16.747 -0.551 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.464 -17.196 -1.908 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.749 -17.430 1.047 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.215 -18.086 0.346 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.371 -18.891 -0.365 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.504 -19.827 0.588 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.539 -14.562 0.002 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.337 -13.411 0.409 1.00 0.38 C ATOM 1534 C LYS A 98 -8.643 -12.115 -0.002 1.00 0.37 C ATOM 1535 O LYS A 98 -8.537 -11.169 0.782 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.568 -13.439 1.925 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.943 -14.816 2.458 1.00 0.60 C ATOM 1538 CD LYS A 98 -10.537 -14.745 3.854 1.00 0.70 C ATOM 1539 CE LYS A 98 -11.957 -14.205 3.824 1.00 0.78 C ATOM 1540 NZ LYS A 98 -12.662 -14.420 5.114 1.00 0.89 N ATOM 0 H LYS A 98 -7.545 -14.479 0.216 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.304 -13.458 -0.091 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.664 -13.097 2.429 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -10.359 -12.733 2.177 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.660 -15.283 1.783 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.058 -15.452 2.473 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.533 -15.738 4.304 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -9.916 -14.107 4.483 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -11.935 -13.139 3.596 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -12.513 -14.691 3.022 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -13.627 -14.037 5.050 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -12.707 -15.438 5.320 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -12.147 -13.935 5.876 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.168 -12.087 -1.241 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.478 -10.919 -1.779 1.00 0.48 C ATOM 1556 C ASN A 99 -8.429 -9.731 -1.912 1.00 0.44 C ATOM 1557 O ASN A 99 -9.134 -9.595 -2.914 1.00 0.78 O ATOM 1558 CB ASN A 99 -6.839 -11.238 -3.142 1.00 0.64 C ATOM 1559 CG ASN A 99 -7.845 -11.718 -4.181 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -8.737 -12.515 -3.882 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -7.711 -11.230 -5.408 1.00 1.07 N ATOM 0 H ASN A 99 -8.248 -12.864 -1.896 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.688 -10.652 -1.077 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.336 -10.347 -3.518 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.074 -12.002 -3.007 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -8.359 -11.513 -6.143 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -6.960 -10.572 -5.616 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.453 -8.885 -0.889 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.308 -7.705 -0.886 1.00 0.32 C ATOM 1570 C TRP A 100 -8.484 -6.446 -1.133 1.00 0.32 C ATOM 1571 O TRP A 100 -7.368 -6.314 -0.624 1.00 0.46 O ATOM 1572 CB TRP A 100 -10.061 -7.592 0.443 1.00 0.38 C ATOM 1573 CG TRP A 100 -11.116 -8.644 0.618 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -11.140 -9.640 1.553 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.298 -8.808 -0.175 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.270 -10.408 1.394 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.996 -9.917 0.338 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.835 -8.120 -1.268 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.203 -10.354 -0.206 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.032 -8.554 -1.806 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.704 -9.662 -1.274 1.00 1.08 C ATOM 0 H TRP A 100 -7.887 -8.995 -0.047 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.035 -7.808 -1.691 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.348 -7.663 1.264 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.525 -6.608 0.507 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -10.383 -9.801 2.306 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.527 -11.212 1.968 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.323 -7.265 -1.684 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.724 -11.208 0.201 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.456 -8.030 -2.650 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.638 -9.976 -1.717 1.00 1.08 H new ATOM 1592 N PHE A 101 -9.041 -5.526 -1.918 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.362 -4.273 -2.245 1.00 0.29 C ATOM 1594 C PHE A 101 -8.144 -3.419 -0.995 1.00 0.29 C ATOM 1595 O PHE A 101 -9.000 -3.365 -0.104 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.162 -3.477 -3.286 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.531 -4.270 -4.513 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.602 -5.083 -5.141 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.811 -4.199 -5.036 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.943 -5.806 -6.269 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -11.159 -4.918 -6.163 1.00 0.64 C ATOM 1602 CZ PHE A 101 -10.222 -5.725 -6.779 1.00 0.64 C ATOM 0 H PHE A 101 -9.964 -5.625 -2.341 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.388 -4.527 -2.664 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -10.074 -3.103 -2.820 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.579 -2.607 -3.590 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.600 -5.153 -4.745 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.548 -3.572 -4.556 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -8.208 -6.434 -6.751 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -12.161 -4.849 -6.561 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.491 -6.291 -7.658 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.995 -2.750 -0.948 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.629 -1.903 0.183 1.00 0.35 C ATOM 1614 C VAL A 102 -7.278 -0.504 0.078 1.00 0.55 C ATOM 1615 O VAL A 102 -8.489 -0.391 -0.151 1.00 1.36 O ATOM 1616 CB VAL A 102 -5.085 -1.795 0.304 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.485 -3.155 0.629 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.465 -1.229 -0.973 1.00 0.82 C ATOM 0 H VAL A 102 -6.295 -2.779 -1.689 1.00 0.30 H new ATOM 0 HA VAL A 102 -7.013 -2.370 1.090 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.859 -1.106 1.118 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.402 -3.065 0.711 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.892 -3.516 1.574 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.731 -3.860 -0.165 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.383 -1.166 -0.855 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.701 -1.882 -1.813 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.868 -0.234 -1.163 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.492 0.560 0.267 1.00 0.48 N ATOM 1629 CA GLY A 103 -7.028 1.906 0.182 1.00 0.46 C ATOM 1630 C GLY A 103 -7.283 2.503 1.551 1.00 0.41 C ATOM 1631 O GLY A 103 -8.268 2.154 2.216 1.00 0.59 O ATOM 0 H GLY A 103 -5.495 0.509 0.477 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.331 2.540 -0.366 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.958 1.891 -0.386 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.400 3.396 1.973 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.521 4.043 3.274 1.00 0.34 C ATOM 1637 C LEU A 104 -7.238 5.384 3.142 1.00 0.34 C ATOM 1638 O LEU A 104 -7.497 5.855 2.034 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.137 4.247 3.901 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.287 5.358 3.268 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -4.078 6.498 4.250 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -2.949 4.806 2.796 1.00 0.66 C ATOM 0 H LEU A 104 -5.588 3.691 1.431 1.00 0.37 H new ATOM 0 HA LEU A 104 -7.110 3.395 3.924 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.265 4.469 4.960 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.585 3.309 3.837 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.823 5.746 2.402 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.473 7.275 3.782 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -5.044 6.913 4.536 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -3.566 6.125 5.137 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.361 5.608 2.350 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.408 4.388 3.645 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.119 4.026 2.054 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.564 5.985 4.276 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.238 7.270 4.293 1.00 0.41 C ATOM 1656 C LYS A 105 -7.314 8.319 4.900 1.00 0.32 C ATOM 1657 O LYS A 105 -6.765 8.113 5.985 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.543 7.178 5.093 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.630 8.121 4.601 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.111 7.739 3.206 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.320 8.562 2.782 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.006 10.012 2.686 1.00 0.60 N ATOM 0 H LYS A 105 -7.371 5.599 5.200 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.485 7.559 3.272 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.915 6.154 5.048 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.333 7.395 6.140 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.471 8.103 5.295 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.249 9.142 4.589 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.302 7.885 2.490 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.367 6.680 3.187 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.680 8.205 1.817 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.128 8.414 3.498 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.879 10.544 2.495 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.592 10.338 3.583 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.328 10.170 1.914 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.142 9.443 4.200 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.275 10.529 4.675 1.00 0.46 C ATOM 1678 C LYS A 106 -6.535 10.852 6.148 1.00 0.51 C ATOM 1679 O LYS A 106 -5.649 11.347 6.844 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.442 11.781 3.810 1.00 0.60 C ATOM 1681 CG LYS A 106 -7.871 12.300 3.714 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.076 13.081 2.425 1.00 0.90 C ATOM 1683 CE LYS A 106 -8.902 14.337 2.641 1.00 1.14 C ATOM 1684 NZ LYS A 106 -8.943 15.188 1.422 1.00 1.43 N ATOM 0 H LYS A 106 -7.591 9.627 3.303 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.244 10.186 4.587 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -5.809 12.572 4.212 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.080 11.563 2.805 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -8.570 11.464 3.753 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.089 12.938 4.570 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -7.106 13.353 2.009 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.571 12.445 1.691 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -9.917 14.060 2.925 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -8.484 14.909 3.470 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -9.819 15.749 1.420 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -8.122 15.827 1.417 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -8.917 14.584 0.576 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.754 10.582 6.613 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.117 10.805 8.013 1.00 0.70 C ATOM 1700 C ASN A 107 -7.125 10.107 8.956 1.00 0.65 C ATOM 1701 O ASN A 107 -6.949 10.522 10.105 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.544 10.296 8.266 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.701 9.589 9.604 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.465 8.384 9.713 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.103 10.327 10.628 1.00 1.38 N ATOM 0 H ASN A 107 -8.509 10.207 6.039 1.00 0.53 H new ATOM 0 HA ASN A 107 -8.077 11.875 8.216 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.236 11.138 8.224 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.826 9.612 7.466 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.227 9.901 11.546 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.288 11.322 10.498 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.485 9.049 8.462 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.530 8.309 9.262 1.00 0.55 C ATOM 1714 C GLY A 108 -6.046 6.933 9.628 1.00 0.52 C ATOM 1715 O GLY A 108 -5.837 6.463 10.746 1.00 1.00 O ATOM 0 H GLY A 108 -6.614 8.692 7.515 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.594 8.211 8.712 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.308 8.867 10.171 1.00 0.55 H new ATOM 1719 N SER A 109 -6.733 6.293 8.686 1.00 0.52 N ATOM 1720 CA SER A 109 -7.282 4.965 8.903 1.00 0.56 C ATOM 1721 C SER A 109 -7.337 4.188 7.587 1.00 0.51 C ATOM 1722 O SER A 109 -7.532 4.775 6.516 1.00 0.81 O ATOM 1723 CB SER A 109 -8.679 5.070 9.527 1.00 0.75 C ATOM 1724 OG SER A 109 -9.484 6.011 8.831 1.00 0.97 O ATOM 0 H SER A 109 -6.922 6.679 7.761 1.00 0.52 H new ATOM 0 HA SER A 109 -6.633 4.424 9.591 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.162 4.093 9.511 1.00 0.75 H new ATOM 0 HB3 SER A 109 -8.592 5.365 10.573 1.00 0.75 H new ATOM 0 HG SER A 109 -9.688 6.767 9.421 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.149 2.877 7.662 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.184 2.032 6.475 1.00 0.38 C ATOM 1732 C CYS A 110 -8.480 1.230 6.436 1.00 0.36 C ATOM 1733 O CYS A 110 -8.969 0.787 7.477 1.00 0.54 O ATOM 1734 CB CYS A 110 -5.981 1.089 6.464 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.379 1.929 6.469 1.00 0.61 S ATOM 0 H CYS A 110 -6.971 2.375 8.532 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.140 2.669 5.591 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.038 0.435 7.334 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.041 0.452 5.582 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.501 1.186 7.075 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.045 1.057 5.245 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.282 0.298 5.096 1.00 0.44 C ATOM 1743 C LYS A 111 -10.106 -0.832 4.088 1.00 0.47 C ATOM 1744 O LYS A 111 -10.307 -0.644 2.885 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.447 1.208 4.684 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.758 2.309 5.692 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.039 1.744 7.078 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.285 2.853 8.091 1.00 0.94 C ATOM 1749 NZ LYS A 111 -12.173 2.366 9.492 1.00 1.27 N ATOM 0 H LYS A 111 -8.668 1.430 4.373 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.521 -0.138 6.066 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.215 1.665 3.722 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.339 0.598 4.541 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.918 3.001 5.745 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.621 2.881 5.351 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -12.909 1.088 7.036 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.196 1.134 7.402 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.567 3.657 7.929 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.278 3.275 7.932 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -12.348 3.154 10.148 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -12.875 1.616 9.656 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -11.218 1.987 9.653 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.696 -1.990 4.593 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.502 -3.179 3.771 1.00 0.36 C ATOM 1765 C ARG A 112 -10.437 -4.287 4.250 1.00 0.37 C ATOM 1766 O ARG A 112 -11.215 -4.838 3.471 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.042 -3.651 3.844 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.598 -4.484 2.650 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.299 -5.835 2.591 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.830 -6.758 3.631 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.594 -7.700 4.207 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -9.883 -7.815 3.888 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -8.067 -8.520 5.118 1.00 1.57 N ATOM 0 H ARG A 112 -9.489 -2.131 5.582 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.732 -2.935 2.734 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.393 -2.779 3.927 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.906 -4.237 4.753 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.799 -3.933 1.731 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.520 -4.639 2.699 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.374 -5.688 2.698 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.135 -6.283 1.611 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.860 -6.679 3.936 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.297 -7.184 3.201 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.456 -8.534 4.331 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -7.084 -8.431 5.377 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.647 -9.236 5.556 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.357 -4.601 5.544 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.205 -5.631 6.121 1.00 0.43 C ATOM 1789 C GLY A 113 -12.661 -5.209 6.192 1.00 0.41 C ATOM 1790 O GLY A 113 -13.529 -5.905 5.663 1.00 0.46 O ATOM 0 H GLY A 113 -9.717 -4.158 6.203 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.122 -6.541 5.527 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.850 -5.871 7.123 1.00 0.43 H new ATOM 1794 N PRO A 114 -12.958 -4.064 6.843 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.324 -3.556 6.981 1.00 0.50 C ATOM 1796 C PRO A 114 -15.162 -3.751 5.717 1.00 0.41 C ATOM 1797 O PRO A 114 -16.237 -4.347 5.771 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.099 -2.073 7.262 1.00 0.62 C ATOM 1799 CG PRO A 114 -12.826 -2.041 8.036 1.00 0.71 C ATOM 1800 CD PRO A 114 -11.982 -3.177 7.510 1.00 0.52 C ATOM 0 HA PRO A 114 -14.884 -4.079 7.756 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.019 -1.500 6.338 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -14.924 -1.645 7.832 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.317 -1.086 7.907 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.016 -2.159 9.103 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.223 -2.822 6.813 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.459 -3.692 8.315 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.658 -3.257 4.586 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.359 -3.379 3.309 1.00 0.39 C ATOM 1810 C ARG A 115 -14.580 -2.680 2.195 1.00 0.44 C ATOM 1811 O ARG A 115 -14.115 -1.551 2.369 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.767 -2.780 3.406 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.576 -2.907 2.126 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.804 -2.014 2.156 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.450 -0.595 2.234 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.340 0.399 2.227 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.641 0.136 2.151 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.929 1.659 2.302 1.00 1.47 N ATOM 0 H ARG A 115 -13.765 -2.768 4.529 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.440 -4.440 3.072 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.306 -3.272 4.216 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.686 -1.726 3.671 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -16.953 -2.642 1.272 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.882 -3.944 1.988 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.402 -2.190 1.262 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.425 -2.280 3.012 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.462 -0.351 2.298 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.964 -0.830 2.098 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.316 0.900 2.146 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.933 1.868 2.365 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.610 2.419 2.297 1.00 1.47 H new ATOM 1832 N THR A 116 -14.442 -3.354 1.060 1.00 0.36 N ATOM 1833 CA THR A 116 -13.733 -2.803 -0.081 1.00 0.38 C ATOM 1834 C THR A 116 -14.437 -3.206 -1.382 1.00 0.39 C ATOM 1835 O THR A 116 -14.688 -4.391 -1.623 1.00 0.51 O ATOM 1836 CB THR A 116 -12.252 -3.259 -0.090 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.445 -2.296 -0.771 1.00 0.57 O ATOM 1838 CG2 THR A 116 -12.080 -4.621 -0.751 1.00 0.58 C ATOM 0 H THR A 116 -14.816 -4.291 0.908 1.00 0.36 H new ATOM 0 HA THR A 116 -13.743 -1.716 -0.001 1.00 0.38 H new ATOM 0 HB THR A 116 -11.933 -3.344 0.949 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.498 -2.515 -0.644 1.00 0.57 H new ATOM 0 HG21 THR A 116 -11.027 -4.902 -0.736 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.662 -5.365 -0.208 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.427 -4.571 -1.783 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.781 -2.211 -2.202 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.468 -2.443 -3.478 1.00 0.39 C ATOM 1848 C HIS A 117 -15.980 -1.123 -4.051 1.00 0.36 C ATOM 1849 O HIS A 117 -15.648 -0.753 -5.177 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.643 -3.418 -3.302 1.00 0.43 C ATOM 1851 CG HIS A 117 -16.479 -4.707 -4.053 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -17.543 -5.502 -4.421 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -15.368 -5.338 -4.513 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -17.099 -6.563 -5.068 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.785 -6.487 -5.138 1.00 0.89 N ATOM 0 H HIS A 117 -14.594 -1.228 -2.004 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.750 -2.884 -4.170 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.764 -3.639 -2.242 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.560 -2.930 -3.632 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.348 -4.999 -4.407 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -17.708 -7.358 -5.471 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -15.176 -7.172 -5.585 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.789 -0.417 -3.263 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.344 0.865 -3.682 1.00 0.41 C ATOM 1866 C TYR A 118 -16.414 1.994 -3.263 1.00 0.39 C ATOM 1867 O TYR A 118 -15.845 1.962 -2.170 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.738 1.075 -3.076 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.706 -0.051 -3.377 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.954 -0.452 -4.687 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -20.367 -0.717 -2.351 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -20.831 -1.484 -4.964 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -21.247 -1.749 -2.622 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.474 -2.129 -3.928 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.347 -3.158 -4.200 1.00 1.05 O ATOM 0 H TYR A 118 -17.074 -0.713 -2.330 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.438 0.865 -4.768 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.643 1.182 -1.995 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -19.152 2.010 -3.454 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.453 0.052 -5.500 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -20.191 -0.424 -1.327 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.012 -1.784 -5.986 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -21.754 -2.255 -1.814 1.00 0.87 H new ATOM 0 HH TYR A 118 -22.714 -3.506 -3.361 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.258 2.983 -4.136 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.389 4.102 -3.843 1.00 0.39 C ATOM 1887 C GLY A 119 -14.029 3.933 -4.483 1.00 0.37 C ATOM 1888 O GLY A 119 -13.263 3.046 -4.097 1.00 0.44 O ATOM 0 H GLY A 119 -16.721 3.027 -5.044 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.848 5.024 -4.201 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.274 4.201 -2.764 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.725 4.791 -5.453 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.454 4.741 -6.174 1.00 0.38 C ATOM 1894 C GLN A 120 -11.272 4.505 -5.230 1.00 0.37 C ATOM 1895 O GLN A 120 -10.297 3.859 -5.609 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.251 6.023 -6.987 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.307 6.221 -8.068 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.973 7.348 -9.029 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -12.350 7.132 -10.069 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.396 8.558 -8.696 1.00 1.00 N ATOM 0 H GLN A 120 -14.348 5.537 -5.761 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.496 3.893 -6.858 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.265 6.879 -6.313 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.265 5.999 -7.451 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.421 5.294 -8.630 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.267 6.427 -7.596 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.909 8.697 -7.826 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -13.209 9.351 -9.310 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.362 5.012 -3.999 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.292 4.827 -3.016 1.00 0.61 C ATOM 1911 C LYS A 121 -9.884 3.357 -2.908 1.00 0.58 C ATOM 1912 O LYS A 121 -8.730 3.051 -2.622 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.720 5.347 -1.631 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.757 4.475 -0.915 1.00 1.06 C ATOM 1915 CD LYS A 121 -11.153 3.671 0.241 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.644 2.309 -0.218 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.352 1.384 0.916 1.00 1.70 N ATOM 0 H LYS A 121 -12.159 5.551 -3.660 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.433 5.403 -3.362 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.836 5.430 -0.999 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.126 6.352 -1.744 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.557 5.109 -0.533 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.208 3.790 -1.633 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -10.332 4.234 0.685 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -11.904 3.534 1.019 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.387 1.851 -0.871 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -9.739 2.446 -0.810 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -9.839 0.552 0.562 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.769 1.875 1.623 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -11.245 1.080 1.355 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.835 2.455 -3.135 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.573 1.023 -3.037 1.00 0.65 C ATOM 1933 C ALA A 122 -9.840 0.477 -4.261 1.00 0.57 C ATOM 1934 O ALA A 122 -9.206 -0.574 -4.184 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.878 0.267 -2.826 1.00 0.77 C ATOM 0 H ALA A 122 -11.794 2.691 -3.388 1.00 0.54 H new ATOM 0 HA ALA A 122 -9.918 0.873 -2.179 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.672 -0.801 -2.754 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.351 0.608 -1.905 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.546 0.452 -3.667 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.910 1.183 -5.386 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.265 0.713 -6.604 1.00 0.48 C ATOM 1943 C ILE A 123 -8.706 1.878 -7.426 1.00 0.41 C ATOM 1944 O ILE A 123 -8.955 1.973 -8.630 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.245 -0.103 -7.488 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.196 -0.956 -6.638 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.473 -0.989 -8.451 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.444 -0.222 -6.197 1.00 0.79 C ATOM 0 H ILE A 123 -10.401 2.072 -5.478 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.444 0.068 -6.292 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.847 0.607 -8.055 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.487 -1.838 -7.209 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.662 -1.309 -5.756 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.173 -1.556 -9.065 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.847 -0.370 -9.093 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.845 -1.678 -7.887 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.067 -0.889 -5.601 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.164 0.645 -5.598 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -13.001 0.108 -7.074 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.949 2.764 -6.782 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.365 3.907 -7.481 1.00 0.29 C ATOM 1962 C LEU A 124 -6.139 4.452 -6.737 1.00 0.26 C ATOM 1963 O LEU A 124 -6.152 5.578 -6.222 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.416 5.009 -7.667 1.00 0.33 C ATOM 1965 CG LEU A 124 -8.088 6.051 -8.741 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.928 5.388 -10.102 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.170 7.123 -8.794 1.00 0.58 C ATOM 0 H LEU A 124 -7.727 2.714 -5.788 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.032 3.567 -8.462 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.369 4.542 -7.916 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.552 5.523 -6.715 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.143 6.527 -8.478 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.695 6.145 -10.851 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -7.118 4.660 -10.059 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.856 4.884 -10.372 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.920 7.855 -9.562 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -10.129 6.661 -9.031 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.236 7.621 -7.827 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.083 3.641 -6.681 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.837 4.031 -6.017 1.00 0.23 C ATOM 1981 C PHE A 125 -2.776 4.345 -7.068 1.00 0.17 C ATOM 1982 O PHE A 125 -2.641 3.612 -8.056 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.329 2.919 -5.087 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.406 2.027 -4.532 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.230 2.464 -3.509 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.583 0.745 -5.029 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.211 1.641 -2.994 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.564 -0.081 -4.519 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.377 0.367 -3.498 1.00 0.54 C ATOM 0 H PHE A 125 -5.065 2.706 -7.089 1.00 0.20 H new ATOM 0 HA PHE A 125 -4.035 4.916 -5.412 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.613 2.305 -5.633 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.790 3.375 -4.257 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -5.104 3.459 -3.110 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -3.946 0.388 -5.825 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.849 1.994 -2.197 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -5.695 -1.076 -4.918 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.142 -0.279 -3.094 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.026 5.424 -6.858 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.986 5.829 -7.801 1.00 0.19 C ATOM 2001 C LEU A 126 0.395 5.809 -7.145 1.00 0.20 C ATOM 2002 O LEU A 126 0.739 6.697 -6.359 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.279 7.225 -8.365 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.302 7.708 -9.444 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.330 6.777 -10.650 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.627 9.137 -9.858 1.00 0.59 C ATOM 0 H LEU A 126 -2.118 6.033 -6.045 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.986 5.110 -8.620 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.286 7.228 -8.781 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.272 7.941 -7.543 1.00 0.32 H new ATOM 0 HG LEU A 126 0.705 7.694 -9.027 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.370 7.137 -11.404 1.00 0.44 H new ATOM 0 HD12 LEU A 126 -0.044 5.772 -10.340 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.336 6.755 -11.070 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.077 9.463 -10.624 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.641 9.179 -10.255 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.549 9.794 -8.991 1.00 0.59 H new ATOM 2018 N PRO A 127 1.192 4.771 -7.437 1.00 0.21 N ATOM 2019 CA PRO A 127 2.535 4.624 -6.917 1.00 0.29 C ATOM 2020 C PRO A 127 3.584 5.093 -7.923 1.00 0.25 C ATOM 2021 O PRO A 127 3.285 5.256 -9.111 1.00 0.38 O ATOM 2022 CB PRO A 127 2.626 3.117 -6.710 1.00 0.42 C ATOM 2023 CG PRO A 127 1.766 2.525 -7.786 1.00 0.43 C ATOM 2024 CD PRO A 127 0.843 3.620 -8.282 1.00 0.32 C ATOM 0 HA PRO A 127 2.719 5.214 -6.019 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.656 2.769 -6.792 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.271 2.832 -5.720 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.380 2.142 -8.601 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.191 1.684 -7.398 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.005 3.834 -9.338 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.205 3.343 -8.170 1.00 0.32 H new ATOM 2032 N LEU A 128 4.805 5.319 -7.453 1.00 0.22 N ATOM 2033 CA LEU A 128 5.886 5.752 -8.336 1.00 0.21 C ATOM 2034 C LEU A 128 6.220 4.640 -9.329 1.00 0.23 C ATOM 2035 O LEU A 128 6.213 3.463 -8.962 1.00 0.26 O ATOM 2036 CB LEU A 128 7.136 6.117 -7.530 1.00 0.23 C ATOM 2037 CG LEU A 128 8.245 6.808 -8.331 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.841 8.232 -8.691 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.547 6.811 -7.549 1.00 0.37 C ATOM 0 H LEU A 128 5.072 5.211 -6.474 1.00 0.22 H new ATOM 0 HA LEU A 128 5.553 6.638 -8.878 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.842 6.770 -6.708 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.542 5.208 -7.086 1.00 0.23 H new ATOM 0 HG LEU A 128 8.397 6.248 -9.254 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.642 8.705 -9.259 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.932 8.211 -9.293 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.659 8.800 -7.779 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.322 7.306 -8.134 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.406 7.345 -6.609 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.849 5.784 -7.341 1.00 0.37 H new ATOM 2051 N PRO A 129 6.506 4.990 -10.598 1.00 0.27 N ATOM 2052 CA PRO A 129 6.841 4.009 -11.645 1.00 0.33 C ATOM 2053 C PRO A 129 8.134 3.235 -11.348 1.00 0.33 C ATOM 2054 O PRO A 129 9.098 3.286 -12.116 1.00 0.67 O ATOM 2055 CB PRO A 129 7.002 4.867 -12.911 1.00 0.45 C ATOM 2056 CG PRO A 129 6.321 6.153 -12.600 1.00 0.47 C ATOM 2057 CD PRO A 129 6.505 6.364 -11.125 1.00 0.30 C ATOM 0 HA PRO A 129 6.073 3.240 -11.731 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.054 5.026 -13.148 1.00 0.45 H new ATOM 0 HB3 PRO A 129 6.550 4.381 -13.776 1.00 0.45 H new ATOM 0 HG2 PRO A 129 6.756 6.974 -13.170 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.263 6.109 -12.860 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.438 6.883 -10.904 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.699 6.961 -10.698 1.00 0.30 H new ATOM 2065 N VAL A 130 8.141 2.517 -10.232 1.00 0.37 N ATOM 2066 CA VAL A 130 9.291 1.724 -9.818 1.00 0.35 C ATOM 2067 C VAL A 130 8.824 0.444 -9.133 1.00 0.38 C ATOM 2068 O VAL A 130 8.269 0.486 -8.031 1.00 0.57 O ATOM 2069 CB VAL A 130 10.225 2.509 -8.864 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.047 3.531 -9.636 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.429 3.193 -7.760 1.00 0.44 C ATOM 0 H VAL A 130 7.351 2.468 -9.589 1.00 0.37 H new ATOM 0 HA VAL A 130 9.858 1.480 -10.717 1.00 0.35 H new ATOM 0 HB VAL A 130 10.906 1.795 -8.401 1.00 0.40 H new ATOM 0 HG11 VAL A 130 11.696 4.071 -8.947 1.00 0.47 H new ATOM 0 HG12 VAL A 130 11.655 3.020 -10.382 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.379 4.235 -10.133 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.109 3.737 -7.105 1.00 0.44 H new ATOM 0 HG22 VAL A 130 8.717 3.890 -8.203 1.00 0.44 H new ATOM 0 HG23 VAL A 130 8.890 2.443 -7.181 1.00 0.44 H new ATOM 2081 N SER A 131 9.020 -0.686 -9.800 1.00 0.34 N ATOM 2082 CA SER A 131 8.611 -1.974 -9.261 1.00 0.40 C ATOM 2083 C SER A 131 9.458 -3.100 -9.851 1.00 0.39 C ATOM 2084 O SER A 131 10.245 -2.876 -10.776 1.00 0.47 O ATOM 2085 CB SER A 131 7.134 -2.222 -9.570 1.00 0.50 C ATOM 2086 OG SER A 131 6.314 -1.191 -9.052 1.00 0.88 O ATOM 0 H SER A 131 9.461 -0.735 -10.718 1.00 0.34 H new ATOM 0 HA SER A 131 8.758 -1.958 -8.181 1.00 0.40 H new ATOM 0 HB2 SER A 131 6.994 -2.292 -10.649 1.00 0.50 H new ATOM 0 HB3 SER A 131 6.828 -3.179 -9.146 1.00 0.50 H new ATOM 0 HG SER A 131 5.371 -1.430 -9.173 1.00 0.88 H new ATOM 2092 N SER A 132 9.306 -4.303 -9.310 1.00 0.48 N ATOM 2093 CA SER A 132 10.048 -5.453 -9.797 1.00 0.54 C ATOM 2094 C SER A 132 9.329 -6.103 -10.971 1.00 0.49 C ATOM 2095 O SER A 132 8.594 -7.078 -10.808 1.00 0.96 O ATOM 2096 CB SER A 132 10.272 -6.472 -8.679 1.00 0.76 C ATOM 2097 OG SER A 132 11.612 -6.430 -8.214 1.00 1.03 O ATOM 0 H SER A 132 8.675 -4.504 -8.534 1.00 0.48 H new ATOM 0 HA SER A 132 11.021 -5.102 -10.140 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.590 -6.267 -7.854 1.00 0.76 H new ATOM 0 HB3 SER A 132 10.041 -7.473 -9.043 1.00 0.76 H new ATOM 0 HG SER A 132 12.011 -7.322 -8.285 1.00 1.03 H new ATOM 2103 N ASP A 133 9.530 -5.534 -12.147 1.00 0.56 N ATOM 2104 CA ASP A 133 8.931 -6.057 -13.363 1.00 0.58 C ATOM 2105 C ASP A 133 9.732 -7.263 -13.848 1.00 0.63 C ATOM 2106 O ASP A 133 10.897 -7.077 -14.256 1.00 0.80 O ATOM 2107 CB ASP A 133 8.880 -4.975 -14.448 1.00 0.80 C ATOM 2108 CG ASP A 133 8.531 -5.535 -15.812 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.437 -6.118 -15.962 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.349 -5.387 -16.744 1.00 1.07 O ATOM 2111 OXT ASP A 133 9.211 -8.392 -13.785 1.00 0.75 O ATOM 0 H ASP A 133 10.107 -4.705 -12.286 1.00 0.56 H new ATOM 0 HA ASP A 133 7.909 -6.369 -13.150 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.144 -4.221 -14.170 1.00 0.80 H new ATOM 0 HB3 ASP A 133 9.846 -4.473 -14.501 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.652 4.385 3.784 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.549 4.007 2.291 1.00 3.47 C HETATM 2119 C3 IHP A 134 -17.096 5.170 1.425 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.252 6.423 1.685 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.321 6.813 3.167 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.827 5.655 4.045 1.00 3.46 C HETATM 2123 O11 IHP A 134 -16.148 3.330 4.607 1.00 3.86 O HETATM 2124 P1 IHP A 134 -17.097 2.653 5.732 1.00 4.66 P HETATM 2125 O21 IHP A 134 -18.367 2.103 5.194 1.00 4.95 O HETATM 2126 O31 IHP A 134 -17.379 3.796 6.824 1.00 4.87 O HETATM 2127 O41 IHP A 134 -16.222 1.525 6.464 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.207 3.736 1.924 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.765 2.295 1.343 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.889 1.617 2.331 1.00 4.60 O HETATM 2131 O32 IHP A 134 -16.110 1.459 1.075 1.00 4.76 O HETATM 2132 O42 IHP A 134 -14.017 2.583 -0.036 1.00 4.45 O HETATM 2133 O13 IHP A 134 -17.003 4.831 0.041 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.322 4.810 -0.888 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.299 5.793 -0.365 1.00 5.53 O HETATM 2136 O33 IHP A 134 -18.883 3.304 -0.815 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.895 5.158 -2.398 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.750 7.519 0.909 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.805 8.259 -0.166 1.00 5.38 P HETATM 2140 O24 IHP A 134 -15.330 7.283 -1.175 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.599 8.862 0.711 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.633 9.464 -0.831 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.511 7.957 3.411 1.00 4.36 O HETATM 2144 P5 IHP A 134 -16.144 9.314 4.000 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.203 9.810 3.092 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.738 8.956 5.457 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.951 10.378 4.147 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.908 6.032 5.423 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.592 6.092 6.347 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.910 6.509 7.739 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.653 7.164 5.600 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.884 4.654 6.308 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.789 5.438 3.794 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.358 7.040 3.414 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.221 6.202 1.407 1.00 3.79 H new HETATM 0 H3 IHP A 134 -18.139 5.354 1.684 1.00 3.73 H new HETATM 0 H2 IHP A 134 -17.139 3.106 2.123 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.701 4.556 4.027 1.00 3.43 H new