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 116 THR OG1 : rot 171:sc= 1.27 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -170:sc= -0.396 (180deg=-0.777) USER MOD Set 2.1: A 107 ASN : amide:sc= 0.279 K(o=0.31,f=-2.7!) USER MOD Set 2.2: A 109 SER OG : rot 94:sc= 0.0314 USER MOD Set 3.1: A 87 TYR OH : rot 15:sc= 0.898 USER MOD Set 3.2: A 89 THR OG1 : rot -69:sc= 1.52 USER MOD Set 4.1: A 85 ASN : amide:sc= -0.146 K(o=-1.4,f=-6.5!) USER MOD Set 4.2: A 86 HIS : no HE2:sc= -1.27 K(o=-1.4,f=-7.7!) USER MOD Set 5.1: A 60 MET CE :methyl -158:sc= -0.0934 (180deg=-0.592) USER MOD Set 5.2: A 92 SER OG : rot 140:sc= 0 USER MOD Set 6.1: A 34 HIS : no HE2:sc= 0.871 K(o=1.8,f=-11!) USER MOD Set 6.2: A 52 THR OG1 : rot 90:sc= 0.958 USER MOD Set 7.1: A 48 TYR OH : rot -22:sc= 0.582 USER MOD Set 7.2: A 50 LYS NZ :NH3+ -169:sc= 0.785 (180deg=-0.0111) USER MOD Set 8.1: A 40 SER OG : rot 65:sc= 1.96 USER MOD Set 8.2: A 132 SER OG : rot 14:sc= -0.494 USER MOD Set 9.1: A 36 GLN : amide:sc= 0.142 K(o=1.7,f=-2) USER MOD Set 9.2: A 38 GLN : amide:sc= 1.56 K(o=1.7,f=-1.5) USER MOD Set10.1: A 33 GLN : amide:sc= -0.247 K(o=0.72,f=-2.3!) USER MOD Set10.2: A 51 SER OG : rot 50:sc= 0.967 USER MOD Set11.1: A 11 ASN : amide:sc= -0.221 K(o=0.94,f=-14!) USER MOD Set11.2: A 105 LYS NZ :NH3+ 179:sc= 1.16 (180deg=0) USER MOD Set12.1: A 8 TYR OH : rot -133:sc= 0.604 USER MOD Set12.2: A 14 HIS :FLIP no HD1:sc= -1.18 F(o=-2.2,f=-0.58) USER MOD Set13.1: A 5 LYS NZ :NH3+ -165:sc= 2.47 (180deg=1.1) USER MOD Set13.2: A 131 SER OG : rot -168:sc= 2.03 USER MOD Set14.1: A 1 TYR OH : rot -15:sc= 0.977 USER MOD Set14.2: A 2 LYS NZ :NH3+ 157:sc= 1.14 (180deg=0) USER MOD Single : A 1 TYR N :NH3+ -143:sc= 0.35 (180deg=0.00686) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -140:sc= -1.12 USER MOD Single : A 10 SER OG : rot -140:sc= -0.157 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0649 USER MOD Single : A 27 THR OG1 : rot 65:sc= -0.661! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -79:sc= 1.27 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.168 K(o=-0.17,f=-7.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -48:sc= 1.28 USER MOD Single : A 70 GLN : amide:sc= -0.595 K(o=-0.6,f=-1.6) USER MOD Single : A 71 THR OG1 : rot -25:sc= 0.732 USER MOD Single : A 73 ASN : amide:sc= -1.03 K(o=-1,f=-5.9!) USER MOD Single : A 76 CYS SG : rot 53:sc= 0.805 USER MOD Single : A 88 ASN :FLIP amide:sc= -1.09 F(o=-5!,f=-1.1) USER MOD Single : A 90 TYR OH : rot 12:sc= 1.26 USER MOD Single : A 93 LYS NZ :NH3+ -110:sc= 1.04 (180deg=-0.186) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 1.99 (180deg=1.23) USER MOD Single : A 95 HIS : no HD1:sc= 0.791 K(o=0.79,f=-7.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.719 X(o=-0.72,f=-0.88) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 30:sc= -1.18 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -1.76 X(o=-1.8,f=-1.6) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.413 K(o=-0.41,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.478 -1.636 -9.342 1.00 0.54 N ATOM 2 CA TYR A 1 15.188 -2.289 -9.015 1.00 0.51 C ATOM 3 C TYR A 1 14.472 -1.570 -7.863 1.00 0.43 C ATOM 4 O TYR A 1 13.307 -1.191 -8.000 1.00 0.59 O ATOM 5 CB TYR A 1 15.391 -3.783 -8.685 1.00 0.57 C ATOM 6 CG TYR A 1 16.171 -4.047 -7.412 1.00 0.55 C ATOM 7 CD1 TYR A 1 17.560 -4.090 -7.418 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.519 -4.242 -6.200 1.00 0.53 C ATOM 9 CE1 TYR A 1 18.272 -4.317 -6.258 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.225 -4.462 -5.035 1.00 0.65 C ATOM 11 CZ TYR A 1 17.601 -4.501 -5.071 1.00 0.85 C ATOM 12 OH TYR A 1 18.309 -4.698 -3.905 1.00 1.08 O ATOM 0 H1 TYR A 1 16.630 -1.663 -10.370 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.458 -0.647 -9.021 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.253 -2.139 -8.864 1.00 0.54 H new ATOM 0 HA TYR A 1 14.552 -2.219 -9.898 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.414 -4.260 -8.603 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.908 -4.259 -9.518 1.00 0.57 H new ATOM 0 HD1 TYR A 1 18.091 -3.943 -8.347 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.440 -4.221 -6.170 1.00 0.53 H new ATOM 0 HE1 TYR A 1 19.351 -4.350 -6.282 1.00 0.93 H new ATOM 0 HE2 TYR A 1 15.702 -4.603 -4.101 1.00 0.65 H new ATOM 0 HH TYR A 1 19.239 -4.918 -4.120 1.00 1.08 H new ATOM 24 N LYS A 2 15.159 -1.351 -6.736 1.00 0.35 N ATOM 25 CA LYS A 2 14.534 -0.681 -5.598 1.00 0.39 C ATOM 26 C LYS A 2 14.908 0.798 -5.570 1.00 0.34 C ATOM 27 O LYS A 2 16.087 1.155 -5.625 1.00 0.48 O ATOM 28 CB LYS A 2 14.892 -1.379 -4.267 1.00 0.54 C ATOM 29 CG LYS A 2 16.158 -0.871 -3.572 1.00 0.73 C ATOM 30 CD LYS A 2 17.422 -1.282 -4.310 1.00 1.05 C ATOM 31 CE LYS A 2 18.635 -1.324 -3.384 1.00 1.15 C ATOM 32 NZ LYS A 2 18.659 -2.545 -2.524 1.00 1.40 N ATOM 0 H LYS A 2 16.131 -1.624 -6.591 1.00 0.35 H new ATOM 0 HA LYS A 2 13.453 -0.751 -5.719 1.00 0.39 H new ATOM 0 HB2 LYS A 2 14.052 -1.266 -3.581 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.007 -2.446 -4.457 1.00 0.54 H new ATOM 0 HG2 LYS A 2 16.119 0.216 -3.499 1.00 0.73 H new ATOM 0 HG3 LYS A 2 16.192 -1.258 -2.554 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.276 -2.263 -4.761 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.611 -0.582 -5.124 1.00 1.05 H new ATOM 0 HE2 LYS A 2 19.546 -1.287 -3.982 1.00 1.15 H new ATOM 0 HE3 LYS A 2 18.634 -0.437 -2.750 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 19.634 -2.734 -2.217 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 18.057 -2.394 -1.690 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 18.303 -3.358 -3.066 1.00 1.40 H new ATOM 46 N LYS A 3 13.892 1.651 -5.513 1.00 0.28 N ATOM 47 CA LYS A 3 14.083 3.096 -5.477 1.00 0.26 C ATOM 48 C LYS A 3 12.975 3.741 -4.650 1.00 0.26 C ATOM 49 O LYS A 3 11.926 3.130 -4.441 1.00 0.29 O ATOM 50 CB LYS A 3 14.073 3.669 -6.899 1.00 0.30 C ATOM 51 CG LYS A 3 15.300 3.301 -7.721 1.00 0.49 C ATOM 52 CD LYS A 3 15.092 3.589 -9.198 1.00 0.55 C ATOM 53 CE LYS A 3 16.357 3.323 -10.002 1.00 0.78 C ATOM 54 NZ LYS A 3 16.086 3.260 -11.463 1.00 1.18 N ATOM 0 H LYS A 3 12.914 1.361 -5.490 1.00 0.28 H new ATOM 0 HA LYS A 3 15.048 3.313 -5.019 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.182 3.315 -7.417 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.998 4.755 -6.842 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.162 3.861 -7.359 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.526 2.243 -7.584 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.280 2.970 -9.580 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.789 4.628 -9.328 1.00 0.55 H new ATOM 0 HE2 LYS A 3 17.086 4.109 -9.802 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.803 2.384 -9.675 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 16.974 3.077 -11.973 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 15.411 2.494 -11.658 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 15.684 4.165 -11.781 1.00 1.18 H new ATOM 68 N PRO A 4 13.194 4.972 -4.159 1.00 0.28 N ATOM 69 CA PRO A 4 12.198 5.688 -3.359 1.00 0.30 C ATOM 70 C PRO A 4 10.850 5.778 -4.075 1.00 0.27 C ATOM 71 O PRO A 4 10.682 6.562 -5.014 1.00 0.35 O ATOM 72 CB PRO A 4 12.811 7.080 -3.176 1.00 0.35 C ATOM 73 CG PRO A 4 14.277 6.873 -3.340 1.00 0.43 C ATOM 74 CD PRO A 4 14.428 5.760 -4.339 1.00 0.37 C ATOM 0 HA PRO A 4 11.989 5.184 -2.416 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.425 7.783 -3.915 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.577 7.490 -2.194 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.763 7.783 -3.693 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.743 6.611 -2.390 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.517 6.142 -5.356 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.319 5.163 -4.144 1.00 0.37 H new ATOM 82 N LYS A 5 9.908 4.947 -3.643 1.00 0.24 N ATOM 83 CA LYS A 5 8.568 4.919 -4.215 1.00 0.22 C ATOM 84 C LYS A 5 7.583 5.567 -3.245 1.00 0.25 C ATOM 85 O LYS A 5 7.839 5.626 -2.045 1.00 0.48 O ATOM 86 CB LYS A 5 8.145 3.467 -4.516 1.00 0.24 C ATOM 87 CG LYS A 5 6.748 3.334 -5.118 1.00 0.24 C ATOM 88 CD LYS A 5 6.280 1.882 -5.182 1.00 0.34 C ATOM 89 CE LYS A 5 6.898 1.133 -6.355 1.00 0.35 C ATOM 90 NZ LYS A 5 5.875 0.640 -7.320 1.00 0.40 N ATOM 0 H LYS A 5 10.052 4.276 -2.889 1.00 0.24 H new ATOM 0 HA LYS A 5 8.568 5.478 -5.150 1.00 0.22 H new ATOM 0 HB2 LYS A 5 8.868 3.025 -5.202 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.187 2.889 -3.593 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.042 3.915 -4.524 1.00 0.24 H new ATOM 0 HG3 LYS A 5 6.745 3.759 -6.122 1.00 0.24 H new ATOM 0 HD2 LYS A 5 6.540 1.376 -4.252 1.00 0.34 H new ATOM 0 HD3 LYS A 5 5.194 1.855 -5.267 1.00 0.34 H new ATOM 0 HE2 LYS A 5 7.596 1.790 -6.874 1.00 0.35 H new ATOM 0 HE3 LYS A 5 7.475 0.288 -5.979 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 6.305 -0.067 -7.951 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 5.087 0.205 -6.799 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 5.518 1.437 -7.885 1.00 0.40 H new ATOM 104 N LEU A 6 6.474 6.071 -3.764 1.00 0.22 N ATOM 105 CA LEU A 6 5.455 6.691 -2.928 1.00 0.23 C ATOM 106 C LEU A 6 4.090 6.105 -3.271 1.00 0.22 C ATOM 107 O LEU A 6 3.783 5.895 -4.445 1.00 0.25 O ATOM 108 CB LEU A 6 5.448 8.221 -3.091 1.00 0.27 C ATOM 109 CG LEU A 6 5.053 8.753 -4.474 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.609 10.204 -4.366 1.00 0.45 C ATOM 111 CD2 LEU A 6 6.208 8.621 -5.459 1.00 0.50 C ATOM 0 H LEU A 6 6.256 6.063 -4.760 1.00 0.22 H new ATOM 0 HA LEU A 6 5.686 6.478 -1.884 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.763 8.641 -2.354 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.443 8.596 -2.851 1.00 0.27 H new ATOM 0 HG LEU A 6 4.222 8.156 -4.849 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.330 10.574 -5.353 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.751 10.273 -3.697 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.427 10.806 -3.971 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.902 9.005 -6.432 1.00 0.50 H new ATOM 0 HD22 LEU A 6 7.063 9.192 -5.096 1.00 0.50 H new ATOM 0 HD23 LEU A 6 6.487 7.572 -5.555 1.00 0.50 H new ATOM 123 N LEU A 7 3.297 5.813 -2.245 1.00 0.24 N ATOM 124 CA LEU A 7 1.964 5.245 -2.431 1.00 0.26 C ATOM 125 C LEU A 7 0.918 6.356 -2.435 1.00 0.22 C ATOM 126 O LEU A 7 0.234 6.590 -1.437 1.00 0.24 O ATOM 127 CB LEU A 7 1.665 4.231 -1.318 1.00 0.32 C ATOM 128 CG LEU A 7 0.304 3.535 -1.406 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.256 2.603 -2.608 1.00 0.44 C ATOM 130 CD2 LEU A 7 0.012 2.770 -0.119 1.00 0.46 C ATOM 0 H LEU A 7 3.556 5.961 -1.270 1.00 0.24 H new ATOM 0 HA LEU A 7 1.928 4.730 -3.391 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.444 3.469 -1.327 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.730 4.743 -0.358 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.465 4.297 -1.535 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.719 2.118 -2.653 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.418 3.177 -3.520 1.00 0.44 H new ATOM 0 HD13 LEU A 7 1.034 1.846 -2.513 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -0.959 2.281 -0.199 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.785 2.018 0.041 1.00 0.46 H new ATOM 0 HD23 LEU A 7 0.001 3.463 0.722 1.00 0.46 H new ATOM 142 N TYR A 8 0.796 7.040 -3.564 1.00 0.22 N ATOM 143 CA TYR A 8 -0.150 8.136 -3.685 1.00 0.21 C ATOM 144 C TYR A 8 -1.571 7.624 -3.900 1.00 0.21 C ATOM 145 O TYR A 8 -1.810 6.727 -4.713 1.00 0.29 O ATOM 146 CB TYR A 8 0.256 9.069 -4.824 1.00 0.24 C ATOM 147 CG TYR A 8 -0.153 10.502 -4.583 1.00 0.28 C ATOM 148 CD1 TYR A 8 0.625 11.336 -3.793 1.00 0.46 C ATOM 149 CD2 TYR A 8 -1.322 11.015 -5.128 1.00 0.37 C ATOM 150 CE1 TYR A 8 0.252 12.642 -3.554 1.00 0.56 C ATOM 151 CE2 TYR A 8 -1.705 12.322 -4.891 1.00 0.46 C ATOM 152 CZ TYR A 8 -0.914 13.130 -4.104 1.00 0.50 C ATOM 153 OH TYR A 8 -1.290 14.430 -3.861 1.00 0.63 O ATOM 0 H TYR A 8 1.340 6.855 -4.407 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.133 8.694 -2.749 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.337 9.022 -4.957 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.195 8.719 -5.752 1.00 0.24 H new ATOM 0 HD1 TYR A 8 1.538 10.956 -3.358 1.00 0.46 H new ATOM 0 HD2 TYR A 8 -1.942 10.383 -5.747 1.00 0.37 H new ATOM 0 HE1 TYR A 8 0.870 13.279 -2.939 1.00 0.56 H new ATOM 0 HE2 TYR A 8 -2.618 12.707 -5.320 1.00 0.46 H new ATOM 0 HH TYR A 8 -2.238 14.455 -3.613 1.00 0.63 H new ATOM 163 N CYS A 9 -2.506 8.201 -3.155 1.00 0.23 N ATOM 164 CA CYS A 9 -3.908 7.826 -3.248 1.00 0.27 C ATOM 165 C CYS A 9 -4.749 9.033 -3.656 1.00 0.28 C ATOM 166 O CYS A 9 -4.731 10.069 -2.988 1.00 0.30 O ATOM 167 CB CYS A 9 -4.397 7.262 -1.911 1.00 0.30 C ATOM 168 SG CYS A 9 -3.418 5.870 -1.297 1.00 0.37 S ATOM 0 H CYS A 9 -2.314 8.936 -2.475 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.015 7.053 -4.009 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.385 8.058 -1.166 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.434 6.944 -2.020 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.209 4.980 -0.776 1.00 0.37 H new ATOM 174 N SER A 10 -5.467 8.903 -4.759 1.00 0.37 N ATOM 175 CA SER A 10 -6.306 9.982 -5.265 1.00 0.42 C ATOM 176 C SER A 10 -7.574 10.140 -4.419 1.00 0.39 C ATOM 177 O SER A 10 -8.672 9.783 -4.851 1.00 0.51 O ATOM 178 CB SER A 10 -6.660 9.714 -6.732 1.00 0.56 C ATOM 179 OG SER A 10 -6.499 8.341 -7.045 1.00 1.23 O ATOM 0 H SER A 10 -5.487 8.056 -5.326 1.00 0.37 H new ATOM 0 HA SER A 10 -5.750 10.917 -5.198 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.689 10.017 -6.924 1.00 0.56 H new ATOM 0 HB3 SER A 10 -6.024 10.317 -7.380 1.00 0.56 H new ATOM 0 HG SER A 10 -6.104 8.253 -7.938 1.00 1.23 H new ATOM 185 N ASN A 11 -7.419 10.661 -3.203 1.00 0.33 N ATOM 186 CA ASN A 11 -8.561 10.870 -2.315 1.00 0.36 C ATOM 187 C ASN A 11 -8.478 12.221 -1.603 1.00 0.35 C ATOM 188 O ASN A 11 -8.858 12.343 -0.436 1.00 0.47 O ATOM 189 CB ASN A 11 -8.663 9.735 -1.286 1.00 0.44 C ATOM 190 CG ASN A 11 -10.024 9.687 -0.605 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.120 9.566 0.620 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.093 9.761 -1.391 1.00 0.75 N ATOM 0 H ASN A 11 -6.520 10.944 -2.812 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.460 10.869 -2.932 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.474 8.782 -1.781 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -7.887 9.862 -0.531 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.028 9.718 -0.986 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.978 9.861 -2.400 1.00 0.75 H new ATOM 199 N GLY A 12 -7.990 13.238 -2.312 1.00 0.38 N ATOM 200 CA GLY A 12 -7.881 14.566 -1.733 1.00 0.45 C ATOM 201 C GLY A 12 -6.643 14.738 -0.874 1.00 0.46 C ATOM 202 O GLY A 12 -6.610 14.302 0.278 1.00 0.87 O ATOM 0 H GLY A 12 -7.668 13.165 -3.277 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.867 15.305 -2.534 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.766 14.767 -1.129 1.00 0.45 H new ATOM 206 N GLY A 13 -5.622 15.371 -1.439 1.00 0.38 N ATOM 207 CA GLY A 13 -4.397 15.608 -0.705 1.00 0.36 C ATOM 208 C GLY A 13 -3.253 14.732 -1.173 1.00 0.31 C ATOM 209 O GLY A 13 -3.239 14.273 -2.319 1.00 0.40 O ATOM 0 H GLY A 13 -5.622 15.725 -2.396 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.113 16.655 -0.810 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.574 15.430 0.356 1.00 0.36 H new ATOM 213 N HIS A 14 -2.288 14.515 -0.287 1.00 0.26 N ATOM 214 CA HIS A 14 -1.118 13.693 -0.587 1.00 0.24 C ATOM 215 C HIS A 14 -1.007 12.579 0.445 1.00 0.22 C ATOM 216 O HIS A 14 -1.347 12.783 1.608 1.00 0.30 O ATOM 217 CB HIS A 14 0.154 14.550 -0.575 1.00 0.28 C ATOM 218 CG HIS A 14 0.217 15.567 -1.675 1.00 0.38 C ATOM 219 ND1 HIS A 14 1.037 15.658 -2.748 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.627 16.653 -1.751 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.674 16.781 -3.445 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.333 17.362 -2.825 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.293 14.902 0.657 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.231 13.259 -1.580 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.225 15.063 0.384 1.00 0.28 H new ATOM 0 HB3 HIS A 14 1.022 13.895 -0.651 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.408 16.888 -1.042 1.00 0.53 H new ATOM 0 HE1 HIS A 14 1.138 17.133 -4.355 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.805 18.215 -3.124 1.00 0.66 H new ATOM 231 N PHE A 15 -0.527 11.411 0.035 1.00 0.20 N ATOM 232 CA PHE A 15 -0.410 10.281 0.950 1.00 0.21 C ATOM 233 C PHE A 15 0.935 9.581 0.800 1.00 0.21 C ATOM 234 O PHE A 15 1.342 9.247 -0.313 1.00 0.23 O ATOM 235 CB PHE A 15 -1.544 9.277 0.708 1.00 0.27 C ATOM 236 CG PHE A 15 -2.918 9.879 0.789 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.461 10.546 -0.297 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.667 9.779 1.950 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.724 11.101 -0.228 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.931 10.331 2.024 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.460 10.994 0.934 1.00 0.45 C ATOM 0 H PHE A 15 -0.215 11.222 -0.917 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.483 10.671 1.965 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.413 8.826 -0.276 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.467 8.473 1.440 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.890 10.633 -1.209 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.258 9.264 2.807 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.135 11.618 -1.083 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.506 10.244 2.934 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.447 11.428 0.991 1.00 0.45 H new ATOM 251 N LEU A 16 1.626 9.392 1.928 1.00 0.20 N ATOM 252 CA LEU A 16 2.925 8.711 1.948 1.00 0.22 C ATOM 253 C LEU A 16 3.580 8.766 3.338 1.00 0.23 C ATOM 254 O LEU A 16 4.807 8.799 3.453 1.00 0.33 O ATOM 255 CB LEU A 16 3.871 9.305 0.889 1.00 0.23 C ATOM 256 CG LEU A 16 3.951 10.837 0.842 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.783 11.371 1.998 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.531 11.296 -0.490 1.00 0.45 C ATOM 0 H LEU A 16 1.305 9.703 2.845 1.00 0.20 H new ATOM 0 HA LEU A 16 2.742 7.663 1.709 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.873 8.914 1.065 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.557 8.947 -0.092 1.00 0.23 H new ATOM 0 HG LEU A 16 2.941 11.236 0.938 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.825 12.459 1.944 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.328 11.072 2.942 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.793 10.965 1.938 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.582 12.385 -0.509 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.533 10.884 -0.612 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.894 10.948 -1.303 1.00 0.45 H new ATOM 270 N ARG A 17 2.770 8.736 4.396 1.00 0.24 N ATOM 271 CA ARG A 17 3.294 8.789 5.757 1.00 0.26 C ATOM 272 C ARG A 17 2.908 7.540 6.534 1.00 0.22 C ATOM 273 O ARG A 17 1.750 7.122 6.512 1.00 0.29 O ATOM 274 CB ARG A 17 2.787 10.034 6.486 1.00 0.34 C ATOM 275 CG ARG A 17 3.180 10.083 7.957 1.00 0.47 C ATOM 276 CD ARG A 17 2.909 11.447 8.572 1.00 0.53 C ATOM 277 NE ARG A 17 1.485 11.776 8.594 1.00 0.54 N ATOM 278 CZ ARG A 17 1.006 13.006 8.796 1.00 0.72 C ATOM 279 NH1 ARG A 17 1.834 14.024 9.005 1.00 0.85 N ATOM 280 NH2 ARG A 17 -0.302 13.220 8.780 1.00 0.86 N ATOM 0 H ARG A 17 1.754 8.676 4.336 1.00 0.24 H new ATOM 0 HA ARG A 17 4.381 8.839 5.694 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.175 10.921 5.985 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.701 10.073 6.407 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.627 9.321 8.506 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.238 9.843 8.058 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.300 11.468 9.589 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.447 12.210 8.009 1.00 0.53 H new ATOM 0 HE ARG A 17 0.816 11.020 8.446 1.00 0.54 H new ATOM 0 HH11 ARG A 17 2.842 13.868 9.012 1.00 0.85 H new ATOM 0 HH12 ARG A 17 1.462 14.961 9.159 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.944 12.445 8.613 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -0.667 14.160 8.934 1.00 0.86 H new ATOM 294 N ILE A 18 3.884 6.951 7.214 1.00 0.21 N ATOM 295 CA ILE A 18 3.666 5.750 8.008 1.00 0.20 C ATOM 296 C ILE A 18 4.246 5.938 9.408 1.00 0.20 C ATOM 297 O ILE A 18 5.382 6.400 9.561 1.00 0.26 O ATOM 298 CB ILE A 18 4.296 4.501 7.337 1.00 0.26 C ATOM 299 CG1 ILE A 18 4.047 3.248 8.182 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.788 4.701 7.102 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.633 2.721 8.084 1.00 0.33 C ATOM 0 H ILE A 18 4.845 7.292 7.230 1.00 0.21 H new ATOM 0 HA ILE A 18 2.591 5.586 8.078 1.00 0.20 H new ATOM 0 HB ILE A 18 3.816 4.363 6.368 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.739 2.466 7.870 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.270 3.473 9.225 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.205 3.811 6.631 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.942 5.562 6.451 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.287 4.874 8.056 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.531 1.833 8.708 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.935 3.486 8.424 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.412 2.463 7.048 1.00 0.33 H new ATOM 313 N LEU A 19 3.452 5.610 10.421 1.00 0.21 N ATOM 314 CA LEU A 19 3.881 5.740 11.810 1.00 0.24 C ATOM 315 C LEU A 19 4.254 4.373 12.389 1.00 0.23 C ATOM 316 O LEU A 19 3.542 3.383 12.165 1.00 0.22 O ATOM 317 CB LEU A 19 2.775 6.382 12.661 1.00 0.30 C ATOM 318 CG LEU A 19 2.416 7.835 12.314 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.668 8.696 12.212 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.609 7.904 11.024 1.00 0.48 C ATOM 0 H LEU A 19 2.504 5.251 10.306 1.00 0.21 H new ATOM 0 HA LEU A 19 4.760 6.384 11.832 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.875 5.774 12.569 1.00 0.30 H new ATOM 0 HB3 LEU A 19 3.080 6.344 13.707 1.00 0.30 H new ATOM 0 HG LEU A 19 1.799 8.228 13.122 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.386 9.720 11.965 1.00 0.54 H new ATOM 0 HD12 LEU A 19 4.196 8.684 13.165 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.319 8.301 11.432 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.368 8.943 10.801 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.194 7.484 10.206 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.687 7.335 11.141 1.00 0.48 H new ATOM 332 N PRO A 20 5.359 4.309 13.161 1.00 0.29 N ATOM 333 CA PRO A 20 5.845 3.066 13.781 1.00 0.33 C ATOM 334 C PRO A 20 4.729 2.298 14.482 1.00 0.30 C ATOM 335 O PRO A 20 4.704 1.061 14.472 1.00 0.36 O ATOM 336 CB PRO A 20 6.891 3.546 14.803 1.00 0.41 C ATOM 337 CG PRO A 20 6.760 5.034 14.848 1.00 0.55 C ATOM 338 CD PRO A 20 6.219 5.444 13.512 1.00 0.38 C ATOM 0 HA PRO A 20 6.249 2.377 13.040 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.710 3.107 15.784 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.896 3.250 14.503 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.090 5.342 15.651 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.724 5.505 15.039 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.658 6.377 13.569 1.00 0.38 H new ATOM 0 HD3 PRO A 20 7.013 5.594 12.780 1.00 0.38 H new ATOM 346 N ASP A 21 3.805 3.041 15.088 1.00 0.27 N ATOM 347 CA ASP A 21 2.662 2.448 15.783 1.00 0.30 C ATOM 348 C ASP A 21 1.962 1.429 14.888 1.00 0.29 C ATOM 349 O ASP A 21 1.345 0.478 15.378 1.00 0.41 O ATOM 350 CB ASP A 21 1.657 3.530 16.198 1.00 0.36 C ATOM 351 CG ASP A 21 2.280 4.613 17.053 1.00 0.64 C ATOM 352 OD1 ASP A 21 3.107 5.386 16.527 1.00 0.95 O ATOM 353 OD2 ASP A 21 1.944 4.702 18.251 1.00 0.96 O ATOM 0 H ASP A 21 3.825 4.061 15.112 1.00 0.27 H new ATOM 0 HA ASP A 21 3.038 1.948 16.676 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.227 3.982 15.304 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.837 3.067 16.747 1.00 0.36 H new ATOM 358 N GLY A 22 2.069 1.631 13.576 1.00 0.24 N ATOM 359 CA GLY A 22 1.452 0.737 12.624 1.00 0.27 C ATOM 360 C GLY A 22 0.283 1.391 11.918 1.00 0.27 C ATOM 361 O GLY A 22 -0.821 0.848 11.899 1.00 0.35 O ATOM 0 H GLY A 22 2.579 2.409 13.157 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.192 0.422 11.888 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.111 -0.162 13.137 1.00 0.27 H new ATOM 365 N THR A 23 0.514 2.567 11.348 1.00 0.24 N ATOM 366 CA THR A 23 -0.540 3.288 10.650 1.00 0.27 C ATOM 367 C THR A 23 0.032 4.185 9.558 1.00 0.22 C ATOM 368 O THR A 23 1.063 4.834 9.755 1.00 0.25 O ATOM 369 CB THR A 23 -1.368 4.147 11.631 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.909 3.327 12.684 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.504 4.860 10.908 1.00 0.43 C ATOM 0 H THR A 23 1.418 3.039 11.356 1.00 0.24 H new ATOM 0 HA THR A 23 -1.188 2.541 10.192 1.00 0.27 H new ATOM 0 HB THR A 23 -0.702 4.895 12.061 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.430 3.885 13.299 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.071 5.458 11.622 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.093 5.510 10.136 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.162 4.123 10.448 1.00 0.43 H new ATOM 379 N VAL A 24 -0.634 4.190 8.407 1.00 0.25 N ATOM 380 CA VAL A 24 -0.230 5.008 7.269 1.00 0.24 C ATOM 381 C VAL A 24 -1.320 6.037 6.974 1.00 0.28 C ATOM 382 O VAL A 24 -2.509 5.715 7.053 1.00 0.37 O ATOM 383 CB VAL A 24 0.031 4.142 6.011 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.244 3.462 5.535 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.641 4.971 4.891 1.00 0.32 C ATOM 0 H VAL A 24 -1.468 3.628 8.237 1.00 0.25 H new ATOM 0 HA VAL A 24 0.701 5.514 7.524 1.00 0.24 H new ATOM 0 HB VAL A 24 0.745 3.367 6.291 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.028 2.862 4.651 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.630 2.818 6.325 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -1.989 4.218 5.287 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.813 4.337 4.021 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.041 5.778 4.623 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.589 5.393 5.225 1.00 0.32 H new ATOM 395 N ASP A 25 -0.930 7.264 6.643 1.00 0.28 N ATOM 396 CA ASP A 25 -1.911 8.312 6.364 1.00 0.35 C ATOM 397 C ASP A 25 -1.382 9.348 5.364 1.00 0.27 C ATOM 398 O ASP A 25 -0.341 9.145 4.724 1.00 0.26 O ATOM 399 CB ASP A 25 -2.349 8.990 7.676 1.00 0.50 C ATOM 400 CG ASP A 25 -1.424 10.111 8.113 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.211 9.868 8.274 1.00 1.19 O ATOM 402 OD2 ASP A 25 -1.918 11.242 8.325 1.00 1.28 O ATOM 0 H ASP A 25 0.044 7.557 6.562 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.777 7.839 5.901 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.356 9.388 7.552 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.397 8.240 8.465 1.00 0.50 H new ATOM 407 N GLY A 26 -2.115 10.455 5.234 1.00 0.27 N ATOM 408 CA GLY A 26 -1.749 11.505 4.303 1.00 0.26 C ATOM 409 C GLY A 26 -0.486 12.255 4.685 1.00 0.32 C ATOM 410 O GLY A 26 -0.138 12.354 5.861 1.00 0.72 O ATOM 0 H GLY A 26 -2.965 10.641 5.766 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.615 11.069 3.313 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.573 12.215 4.229 1.00 0.26 H new ATOM 414 N THR A 27 0.185 12.786 3.671 1.00 0.25 N ATOM 415 CA THR A 27 1.423 13.549 3.824 1.00 0.23 C ATOM 416 C THR A 27 1.977 13.899 2.441 1.00 0.23 C ATOM 417 O THR A 27 1.754 13.162 1.476 1.00 0.26 O ATOM 418 CB THR A 27 2.505 12.782 4.635 1.00 0.30 C ATOM 419 OG1 THR A 27 2.225 12.856 6.039 1.00 0.60 O ATOM 420 CG2 THR A 27 3.898 13.350 4.385 1.00 0.65 C ATOM 0 H THR A 27 -0.119 12.699 2.701 1.00 0.25 H new ATOM 0 HA THR A 27 1.180 14.453 4.383 1.00 0.23 H new ATOM 0 HB THR A 27 2.480 11.744 4.303 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.382 12.394 6.229 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.629 12.790 4.968 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.139 13.268 3.325 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.922 14.398 4.683 1.00 0.65 H new ATOM 428 N ARG A 28 2.675 15.022 2.337 1.00 0.26 N ATOM 429 CA ARG A 28 3.243 15.445 1.065 1.00 0.29 C ATOM 430 C ARG A 28 4.768 15.456 1.136 1.00 0.29 C ATOM 431 O ARG A 28 5.350 16.050 2.046 1.00 0.39 O ATOM 432 CB ARG A 28 2.711 16.830 0.679 1.00 0.36 C ATOM 433 CG ARG A 28 3.186 17.950 1.593 1.00 0.44 C ATOM 434 CD ARG A 28 2.505 19.269 1.268 1.00 0.57 C ATOM 435 NE ARG A 28 1.116 19.296 1.728 1.00 0.66 N ATOM 436 CZ ARG A 28 0.746 19.558 2.986 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.666 19.805 3.922 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.544 19.569 3.309 1.00 1.12 N ATOM 0 H ARG A 28 2.861 15.654 3.116 1.00 0.26 H new ATOM 0 HA ARG A 28 2.942 14.732 0.297 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.017 17.054 -0.343 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.621 16.805 0.687 1.00 0.36 H new ATOM 0 HG2 ARG A 28 2.985 17.683 2.630 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.266 18.065 1.497 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.057 20.086 1.733 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.534 19.436 0.191 1.00 0.57 H new ATOM 0 HE ARG A 28 0.383 19.103 1.045 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.657 19.794 3.679 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.378 20.004 4.880 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.250 19.378 2.598 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.828 19.769 4.268 1.00 1.12 H new ATOM 452 N ASP A 29 5.409 14.797 0.179 1.00 0.27 N ATOM 453 CA ASP A 29 6.868 14.725 0.131 1.00 0.29 C ATOM 454 C ASP A 29 7.342 14.650 -1.319 1.00 0.30 C ATOM 455 O ASP A 29 6.522 14.584 -2.244 1.00 0.37 O ATOM 456 CB ASP A 29 7.371 13.505 0.917 1.00 0.31 C ATOM 457 CG ASP A 29 8.751 13.715 1.517 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.715 13.934 0.754 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.879 13.667 2.759 1.00 0.53 O ATOM 0 H ASP A 29 4.940 14.301 -0.579 1.00 0.27 H new ATOM 0 HA ASP A 29 7.277 15.625 0.590 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.664 13.277 1.715 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.396 12.639 0.256 1.00 0.31 H new ATOM 464 N ARG A 30 8.649 14.648 -1.521 1.00 0.35 N ATOM 465 CA ARG A 30 9.217 14.579 -2.859 1.00 0.39 C ATOM 466 C ARG A 30 9.430 13.122 -3.261 1.00 0.37 C ATOM 467 O ARG A 30 10.558 12.621 -3.264 1.00 0.41 O ATOM 468 CB ARG A 30 10.532 15.366 -2.927 1.00 0.48 C ATOM 469 CG ARG A 30 11.257 15.247 -4.264 1.00 0.53 C ATOM 470 CD ARG A 30 10.316 15.451 -5.443 1.00 0.62 C ATOM 471 NE ARG A 30 11.015 15.387 -6.728 1.00 0.72 N ATOM 472 CZ ARG A 30 10.501 15.808 -7.889 1.00 0.86 C ATOM 473 NH1 ARG A 30 9.272 16.323 -7.935 1.00 1.07 N ATOM 474 NH2 ARG A 30 11.222 15.712 -9.006 1.00 1.02 N ATOM 0 H ARG A 30 9.340 14.694 -0.772 1.00 0.35 H new ATOM 0 HA ARG A 30 8.519 15.032 -3.563 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.325 16.418 -2.730 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.194 15.017 -2.134 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.059 15.984 -4.308 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.723 14.264 -4.338 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.535 14.691 -5.418 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.822 16.418 -5.348 1.00 0.62 H new ATOM 0 HE ARG A 30 11.957 14.995 -6.739 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.718 16.398 -7.082 1.00 1.07 H new ATOM 0 HH12 ARG A 30 8.886 16.642 -8.823 1.00 1.07 H new ATOM 0 HH21 ARG A 30 12.162 15.318 -8.974 1.00 1.02 H new ATOM 0 HH22 ARG A 30 10.833 16.032 -9.893 1.00 1.02 H new ATOM 488 N SER A 31 8.330 12.442 -3.581 1.00 0.44 N ATOM 489 CA SER A 31 8.380 11.041 -3.980 1.00 0.51 C ATOM 490 C SER A 31 9.087 10.219 -2.902 1.00 0.51 C ATOM 491 O SER A 31 9.979 9.418 -3.199 1.00 0.86 O ATOM 492 CB SER A 31 9.108 10.906 -5.324 1.00 0.65 C ATOM 493 OG SER A 31 8.743 11.941 -6.228 1.00 0.74 O ATOM 0 H SER A 31 7.392 12.842 -3.571 1.00 0.44 H new ATOM 0 HA SER A 31 7.364 10.663 -4.096 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.185 10.931 -5.158 1.00 0.65 H new ATOM 0 HB3 SER A 31 8.876 9.938 -5.767 1.00 0.65 H new ATOM 0 HG SER A 31 9.227 11.824 -7.072 1.00 0.74 H new ATOM 499 N ASP A 32 8.684 10.427 -1.651 1.00 0.47 N ATOM 500 CA ASP A 32 9.293 9.729 -0.528 1.00 0.47 C ATOM 501 C ASP A 32 8.232 9.224 0.445 1.00 0.49 C ATOM 502 O ASP A 32 7.037 9.257 0.145 1.00 1.05 O ATOM 503 CB ASP A 32 10.277 10.656 0.191 1.00 0.57 C ATOM 504 CG ASP A 32 11.672 10.071 0.257 1.00 0.73 C ATOM 505 OD1 ASP A 32 11.837 8.988 0.851 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.610 10.698 -0.285 1.00 0.83 O ATOM 0 H ASP A 32 7.939 11.073 -1.392 1.00 0.47 H new ATOM 0 HA ASP A 32 9.833 8.864 -0.913 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.312 11.616 -0.324 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.918 10.850 1.202 1.00 0.57 H new ATOM 511 N GLN A 33 8.676 8.759 1.607 1.00 0.35 N ATOM 512 CA GLN A 33 7.777 8.237 2.631 1.00 0.34 C ATOM 513 C GLN A 33 8.285 8.637 4.022 1.00 0.35 C ATOM 514 O GLN A 33 9.064 9.584 4.145 1.00 0.54 O ATOM 515 CB GLN A 33 7.699 6.708 2.499 1.00 0.45 C ATOM 516 CG GLN A 33 6.395 6.096 2.987 1.00 0.53 C ATOM 517 CD GLN A 33 6.608 4.780 3.716 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.617 4.594 4.402 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.664 3.863 3.573 1.00 0.82 N ATOM 0 H GLN A 33 9.662 8.733 1.865 1.00 0.35 H new ATOM 0 HA GLN A 33 6.779 8.656 2.498 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.842 6.439 1.452 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.524 6.266 3.057 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.894 6.799 3.652 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.733 5.934 2.137 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.846 4.059 2.996 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.755 2.961 4.040 1.00 0.82 H new ATOM 528 N HIS A 34 7.842 7.922 5.066 1.00 0.34 N ATOM 529 CA HIS A 34 8.284 8.189 6.439 1.00 0.39 C ATOM 530 C HIS A 34 9.797 8.416 6.473 1.00 0.37 C ATOM 531 O HIS A 34 10.306 9.185 7.282 1.00 0.50 O ATOM 532 CB HIS A 34 7.903 7.011 7.348 1.00 0.48 C ATOM 533 CG HIS A 34 8.683 6.927 8.627 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.658 5.976 8.854 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.623 7.676 9.753 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.160 6.148 10.063 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.552 7.173 10.629 1.00 0.95 N ATOM 0 H HIS A 34 7.177 7.153 4.984 1.00 0.34 H new ATOM 0 HA HIS A 34 7.789 9.090 6.801 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.843 7.084 7.589 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.040 6.083 6.793 1.00 0.48 H new ATOM 0 HD1 HIS A 34 9.945 5.255 8.192 1.00 0.86 H new ATOM 0 HD2 HIS A 34 7.966 8.514 9.929 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.938 5.550 10.513 1.00 0.99 H new ATOM 546 N ILE A 35 10.491 7.709 5.594 1.00 0.31 N ATOM 547 CA ILE A 35 11.941 7.810 5.456 1.00 0.34 C ATOM 548 C ILE A 35 12.342 7.431 4.029 1.00 0.33 C ATOM 549 O ILE A 35 13.220 8.050 3.438 1.00 0.40 O ATOM 550 CB ILE A 35 12.686 6.915 6.477 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.647 7.556 7.869 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.126 6.675 6.040 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.492 6.839 8.901 1.00 0.51 C ATOM 0 H ILE A 35 10.063 7.043 4.950 1.00 0.31 H new ATOM 0 HA ILE A 35 12.229 8.841 5.662 1.00 0.34 H new ATOM 0 HB ILE A 35 12.181 5.950 6.521 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.985 8.589 7.792 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.614 7.584 8.216 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.628 6.044 6.773 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.134 6.180 5.069 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.647 7.629 5.965 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.411 7.354 9.859 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.141 5.813 9.010 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.533 6.834 8.579 1.00 0.51 H new ATOM 565 N GLN A 36 11.694 6.394 3.497 1.00 0.29 N ATOM 566 CA GLN A 36 11.931 5.923 2.140 1.00 0.30 C ATOM 567 C GLN A 36 11.114 4.660 1.902 1.00 0.30 C ATOM 568 O GLN A 36 11.235 3.698 2.659 1.00 0.64 O ATOM 569 CB GLN A 36 13.418 5.636 1.913 1.00 0.37 C ATOM 570 CG GLN A 36 13.698 4.826 0.655 1.00 0.40 C ATOM 571 CD GLN A 36 15.179 4.555 0.424 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.592 4.272 -0.701 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.992 4.649 1.468 1.00 0.61 N ATOM 0 H GLN A 36 10.988 5.858 4.001 1.00 0.29 H new ATOM 0 HA GLN A 36 11.627 6.699 1.438 1.00 0.30 H new ATOM 0 HB2 GLN A 36 13.957 6.582 1.853 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.811 5.099 2.776 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.169 3.875 0.719 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.295 5.358 -0.207 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.617 4.885 2.387 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.992 4.485 1.352 1.00 0.61 H new ATOM 582 N LEU A 37 10.267 4.670 0.883 1.00 0.27 N ATOM 583 CA LEU A 37 9.444 3.506 0.570 1.00 0.25 C ATOM 584 C LEU A 37 10.035 2.754 -0.615 1.00 0.22 C ATOM 585 O LEU A 37 10.241 3.332 -1.684 1.00 0.26 O ATOM 586 CB LEU A 37 8.003 3.919 0.258 1.00 0.33 C ATOM 587 CG LEU A 37 6.919 2.949 0.738 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.535 3.493 0.413 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.103 1.572 0.112 1.00 0.53 C ATOM 0 H LEU A 37 10.130 5.466 0.260 1.00 0.27 H new ATOM 0 HA LEU A 37 9.432 2.854 1.443 1.00 0.25 H new ATOM 0 HB2 LEU A 37 7.818 4.894 0.708 1.00 0.33 H new ATOM 0 HB3 LEU A 37 7.904 4.041 -0.821 1.00 0.33 H new ATOM 0 HG LEU A 37 7.012 2.849 1.819 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.777 2.791 0.761 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.396 4.453 0.910 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.440 3.625 -0.665 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.321 0.902 0.469 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.042 1.655 -0.973 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.078 1.173 0.392 1.00 0.53 H new ATOM 601 N GLN A 38 10.318 1.478 -0.418 1.00 0.23 N ATOM 602 CA GLN A 38 10.887 0.652 -1.466 1.00 0.27 C ATOM 603 C GLN A 38 9.971 -0.531 -1.763 1.00 0.24 C ATOM 604 O GLN A 38 9.369 -1.103 -0.852 1.00 0.32 O ATOM 605 CB GLN A 38 12.276 0.157 -1.051 1.00 0.38 C ATOM 606 CG GLN A 38 13.230 1.283 -0.679 1.00 0.51 C ATOM 607 CD GLN A 38 14.489 0.796 0.022 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.492 -0.250 0.674 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.566 1.555 -0.103 1.00 0.75 N ATOM 0 H GLN A 38 10.161 0.990 0.464 1.00 0.23 H new ATOM 0 HA GLN A 38 10.984 1.252 -2.371 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.174 -0.519 -0.202 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.708 -0.420 -1.869 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.511 1.825 -1.582 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.712 1.990 -0.031 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.524 2.414 -0.651 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.438 1.281 0.349 1.00 0.75 H new ATOM 618 N LEU A 39 9.851 -0.877 -3.035 1.00 0.24 N ATOM 619 CA LEU A 39 9.017 -1.992 -3.458 1.00 0.24 C ATOM 620 C LEU A 39 9.712 -2.739 -4.585 1.00 0.26 C ATOM 621 O LEU A 39 9.826 -2.220 -5.697 1.00 0.34 O ATOM 622 CB LEU A 39 7.643 -1.491 -3.913 1.00 0.26 C ATOM 623 CG LEU A 39 6.637 -2.582 -4.294 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.213 -2.054 -4.194 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.912 -3.098 -5.701 1.00 0.41 C ATOM 0 H LEU A 39 10.326 -0.397 -3.799 1.00 0.24 H new ATOM 0 HA LEU A 39 8.867 -2.669 -2.617 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.213 -0.887 -3.114 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.781 -0.833 -4.771 1.00 0.26 H new ATOM 0 HG LEU A 39 6.750 -3.410 -3.594 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.512 -2.843 -4.468 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.015 -1.732 -3.171 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.090 -1.208 -4.871 1.00 0.38 H new ATOM 0 HD21 LEU A 39 6.187 -3.872 -5.953 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.828 -2.277 -6.413 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.918 -3.515 -5.745 1.00 0.41 H new ATOM 637 N SER A 40 10.192 -3.942 -4.290 1.00 0.25 N ATOM 638 CA SER A 40 10.899 -4.756 -5.279 1.00 0.28 C ATOM 639 C SER A 40 11.461 -6.033 -4.641 1.00 0.29 C ATOM 640 O SER A 40 11.199 -6.310 -3.470 1.00 0.38 O ATOM 641 CB SER A 40 12.043 -3.940 -5.895 1.00 0.36 C ATOM 642 OG SER A 40 11.610 -3.219 -7.044 1.00 0.55 O ATOM 0 H SER A 40 10.105 -4.378 -3.372 1.00 0.25 H new ATOM 0 HA SER A 40 10.191 -5.044 -6.056 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.435 -3.244 -5.154 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.860 -4.607 -6.169 1.00 0.36 H new ATOM 0 HG SER A 40 10.952 -2.544 -6.778 1.00 0.55 H new ATOM 648 N ALA A 41 12.228 -6.799 -5.425 1.00 0.33 N ATOM 649 CA ALA A 41 12.858 -8.038 -4.953 1.00 0.37 C ATOM 650 C ALA A 41 11.885 -9.220 -4.971 1.00 0.36 C ATOM 651 O ALA A 41 11.986 -10.131 -4.142 1.00 0.76 O ATOM 652 CB ALA A 41 13.451 -7.852 -3.557 1.00 0.46 C ATOM 0 H ALA A 41 12.429 -6.579 -6.401 1.00 0.33 H new ATOM 0 HA ALA A 41 13.667 -8.270 -5.646 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.912 -8.784 -3.230 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.204 -7.065 -3.584 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.660 -7.574 -2.860 1.00 0.46 H new ATOM 658 N GLU A 42 10.965 -9.215 -5.930 1.00 0.35 N ATOM 659 CA GLU A 42 9.982 -10.283 -6.067 1.00 0.30 C ATOM 660 C GLU A 42 9.798 -10.628 -7.543 1.00 0.33 C ATOM 661 O GLU A 42 10.168 -9.838 -8.418 1.00 0.51 O ATOM 662 CB GLU A 42 8.644 -9.871 -5.442 1.00 0.32 C ATOM 663 CG GLU A 42 8.688 -9.707 -3.928 1.00 0.54 C ATOM 664 CD GLU A 42 9.092 -10.978 -3.193 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.936 -12.082 -3.759 1.00 1.01 O ATOM 666 OE2 GLU A 42 9.572 -10.879 -2.044 1.00 1.05 O ATOM 0 H GLU A 42 10.880 -8.477 -6.629 1.00 0.35 H new ATOM 0 HA GLU A 42 10.345 -11.164 -5.538 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.321 -8.931 -5.889 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.892 -10.619 -5.694 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.390 -8.912 -3.676 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.707 -9.389 -3.576 1.00 0.54 H new ATOM 673 N SER A 43 9.237 -11.802 -7.820 1.00 0.31 N ATOM 674 CA SER A 43 9.031 -12.242 -9.197 1.00 0.38 C ATOM 675 C SER A 43 7.863 -11.496 -9.844 1.00 0.34 C ATOM 676 O SER A 43 6.970 -11.003 -9.151 1.00 0.61 O ATOM 677 CB SER A 43 8.792 -13.757 -9.254 1.00 0.52 C ATOM 678 OG SER A 43 7.581 -14.119 -8.614 1.00 1.04 O ATOM 0 H SER A 43 8.918 -12.464 -7.112 1.00 0.31 H new ATOM 0 HA SER A 43 9.936 -12.012 -9.759 1.00 0.38 H new ATOM 0 HB2 SER A 43 8.766 -14.083 -10.294 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.625 -14.275 -8.778 1.00 0.52 H new ATOM 0 HG SER A 43 7.714 -14.127 -7.643 1.00 1.04 H new ATOM 684 N VAL A 44 7.883 -11.418 -11.176 1.00 0.39 N ATOM 685 CA VAL A 44 6.839 -10.734 -11.939 1.00 0.39 C ATOM 686 C VAL A 44 5.455 -10.964 -11.326 1.00 0.36 C ATOM 687 O VAL A 44 4.913 -12.070 -11.381 1.00 0.59 O ATOM 688 CB VAL A 44 6.838 -11.176 -13.425 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.624 -12.680 -13.560 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.781 -10.411 -14.213 1.00 0.58 C ATOM 0 H VAL A 44 8.619 -11.825 -11.753 1.00 0.39 H new ATOM 0 HA VAL A 44 7.064 -9.668 -11.896 1.00 0.39 H new ATOM 0 HB VAL A 44 7.818 -10.942 -13.840 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.629 -12.955 -14.615 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.425 -13.209 -13.043 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.665 -12.952 -13.119 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.797 -10.736 -15.253 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.797 -10.606 -13.787 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.992 -9.343 -14.163 1.00 0.58 H new ATOM 700 N GLY A 45 4.901 -9.914 -10.733 1.00 0.32 N ATOM 701 CA GLY A 45 3.596 -10.006 -10.109 1.00 0.33 C ATOM 702 C GLY A 45 3.675 -9.809 -8.608 1.00 0.28 C ATOM 703 O GLY A 45 2.904 -9.039 -8.034 1.00 0.33 O ATOM 0 H GLY A 45 5.337 -8.994 -10.673 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.933 -9.255 -10.540 1.00 0.33 H new ATOM 0 HA3 GLY A 45 3.157 -10.980 -10.325 1.00 0.33 H new ATOM 707 N GLU A 46 4.627 -10.488 -7.974 1.00 0.27 N ATOM 708 CA GLU A 46 4.814 -10.389 -6.532 1.00 0.28 C ATOM 709 C GLU A 46 5.555 -9.101 -6.196 1.00 0.24 C ATOM 710 O GLU A 46 6.413 -8.658 -6.963 1.00 0.31 O ATOM 711 CB GLU A 46 5.595 -11.599 -6.008 1.00 0.39 C ATOM 712 CG GLU A 46 4.961 -12.937 -6.365 1.00 0.51 C ATOM 713 CD GLU A 46 5.825 -14.124 -5.980 1.00 0.64 C ATOM 714 OE1 GLU A 46 7.065 -14.043 -6.113 1.00 0.86 O ATOM 715 OE2 GLU A 46 5.265 -15.158 -5.559 1.00 0.82 O ATOM 0 H GLU A 46 5.283 -11.115 -8.440 1.00 0.27 H new ATOM 0 HA GLU A 46 3.836 -10.375 -6.051 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.608 -11.568 -6.409 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.679 -11.524 -4.924 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.996 -13.020 -5.866 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.769 -12.967 -7.437 1.00 0.51 H new ATOM 722 N VAL A 47 5.220 -8.486 -5.066 1.00 0.22 N ATOM 723 CA VAL A 47 5.873 -7.248 -4.669 1.00 0.25 C ATOM 724 C VAL A 47 6.108 -7.181 -3.166 1.00 0.23 C ATOM 725 O VAL A 47 5.199 -7.417 -2.368 1.00 0.29 O ATOM 726 CB VAL A 47 5.069 -6.006 -5.116 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.083 -5.881 -6.633 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.639 -6.063 -4.588 1.00 0.35 C ATOM 0 H VAL A 47 4.508 -8.821 -4.417 1.00 0.22 H new ATOM 0 HA VAL A 47 6.839 -7.244 -5.173 1.00 0.25 H new ATOM 0 HB VAL A 47 5.545 -5.121 -4.695 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.512 -5.001 -6.931 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.111 -5.781 -6.980 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.635 -6.771 -7.076 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.094 -5.178 -4.916 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.145 -6.956 -4.971 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.654 -6.096 -3.499 1.00 0.35 H new ATOM 738 N TYR A 48 7.345 -6.871 -2.798 1.00 0.22 N ATOM 739 CA TYR A 48 7.735 -6.740 -1.404 1.00 0.22 C ATOM 740 C TYR A 48 7.797 -5.259 -1.041 1.00 0.22 C ATOM 741 O TYR A 48 8.614 -4.511 -1.589 1.00 0.29 O ATOM 742 CB TYR A 48 9.089 -7.422 -1.175 1.00 0.25 C ATOM 743 CG TYR A 48 9.718 -7.126 0.169 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.278 -7.764 1.322 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.762 -6.216 0.280 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.860 -7.503 2.546 1.00 0.66 C ATOM 747 CE2 TYR A 48 11.348 -5.947 1.501 1.00 0.74 C ATOM 748 CZ TYR A 48 10.895 -6.593 2.633 1.00 0.72 C ATOM 749 OH TYR A 48 11.487 -6.338 3.855 1.00 0.92 O ATOM 0 H TYR A 48 8.104 -6.704 -3.459 1.00 0.22 H new ATOM 0 HA TYR A 48 7.001 -7.228 -0.763 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.960 -8.500 -1.273 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.777 -7.110 -1.961 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.468 -8.475 1.260 1.00 0.49 H new ATOM 0 HD2 TYR A 48 11.121 -5.710 -0.604 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.507 -8.009 3.433 1.00 0.66 H new ATOM 0 HE2 TYR A 48 12.157 -5.235 1.570 1.00 0.74 H new ATOM 0 HH TYR A 48 10.871 -6.587 4.575 1.00 0.92 H new ATOM 759 N ILE A 49 6.924 -4.835 -0.136 1.00 0.21 N ATOM 760 CA ILE A 49 6.865 -3.437 0.272 1.00 0.22 C ATOM 761 C ILE A 49 7.769 -3.156 1.470 1.00 0.23 C ATOM 762 O ILE A 49 7.585 -3.719 2.549 1.00 0.37 O ATOM 763 CB ILE A 49 5.420 -3.015 0.615 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.492 -3.269 -0.578 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.373 -1.551 1.027 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.043 -2.909 -0.316 1.00 0.38 C ATOM 0 H ILE A 49 6.247 -5.439 0.330 1.00 0.21 H new ATOM 0 HA ILE A 49 7.219 -2.851 -0.576 1.00 0.22 H new ATOM 0 HB ILE A 49 5.075 -3.617 1.455 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.850 -2.695 -1.433 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.551 -4.322 -0.854 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.346 -1.273 1.265 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.002 -1.399 1.904 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.737 -0.931 0.208 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.450 -3.117 -1.206 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.666 -3.501 0.518 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.970 -1.850 -0.071 1.00 0.38 H new ATOM 778 N LYS A 50 8.739 -2.272 1.272 1.00 0.21 N ATOM 779 CA LYS A 50 9.674 -1.901 2.320 1.00 0.25 C ATOM 780 C LYS A 50 9.532 -0.420 2.664 1.00 0.21 C ATOM 781 O LYS A 50 9.951 0.452 1.899 1.00 0.26 O ATOM 782 CB LYS A 50 11.111 -2.213 1.882 1.00 0.34 C ATOM 783 CG LYS A 50 12.186 -1.648 2.805 1.00 0.49 C ATOM 784 CD LYS A 50 11.982 -2.074 4.256 1.00 0.73 C ATOM 785 CE LYS A 50 11.902 -3.586 4.404 1.00 1.35 C ATOM 786 NZ LYS A 50 13.149 -4.269 3.963 1.00 1.74 N ATOM 0 H LYS A 50 8.897 -1.796 0.384 1.00 0.21 H new ATOM 0 HA LYS A 50 9.446 -2.484 3.212 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.233 -3.294 1.821 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.266 -1.818 0.878 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.166 -1.981 2.465 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.180 -0.560 2.743 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.803 -1.694 4.864 1.00 0.73 H new ATOM 0 HD3 LYS A 50 11.067 -1.624 4.640 1.00 0.73 H new ATOM 0 HE2 LYS A 50 11.704 -3.836 5.446 1.00 1.35 H new ATOM 0 HE3 LYS A 50 11.061 -3.961 3.821 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 12.982 -5.294 3.906 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 13.428 -3.911 3.027 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 13.909 -4.080 4.647 1.00 1.74 H new ATOM 800 N SER A 51 8.917 -0.143 3.804 1.00 0.24 N ATOM 801 CA SER A 51 8.731 1.224 4.260 1.00 0.25 C ATOM 802 C SER A 51 9.856 1.599 5.219 1.00 0.25 C ATOM 803 O SER A 51 9.937 1.056 6.317 1.00 0.33 O ATOM 804 CB SER A 51 7.374 1.373 4.954 1.00 0.32 C ATOM 805 OG SER A 51 6.301 1.279 4.025 1.00 0.53 O ATOM 0 H SER A 51 8.537 -0.851 4.432 1.00 0.24 H new ATOM 0 HA SER A 51 8.754 1.893 3.400 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.267 0.600 5.715 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.330 2.334 5.467 1.00 0.32 H new ATOM 0 HG SER A 51 6.419 0.480 3.469 1.00 0.53 H new ATOM 811 N THR A 52 10.720 2.516 4.791 1.00 0.24 N ATOM 812 CA THR A 52 11.851 2.966 5.594 1.00 0.28 C ATOM 813 C THR A 52 13.008 1.971 5.474 1.00 0.28 C ATOM 814 O THR A 52 12.902 0.833 5.925 1.00 0.34 O ATOM 815 CB THR A 52 11.476 3.156 7.085 1.00 0.32 C ATOM 816 OG1 THR A 52 10.323 4.012 7.204 1.00 0.35 O ATOM 817 CG2 THR A 52 12.638 3.751 7.868 1.00 0.38 C ATOM 0 H THR A 52 10.655 2.967 3.878 1.00 0.24 H new ATOM 0 HA THR A 52 12.155 3.938 5.206 1.00 0.28 H new ATOM 0 HB THR A 52 11.243 2.176 7.501 1.00 0.32 H new ATOM 0 HG1 THR A 52 9.508 3.468 7.185 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.348 3.874 8.912 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.498 3.084 7.806 1.00 0.38 H new ATOM 0 HG23 THR A 52 12.901 4.722 7.448 1.00 0.38 H new ATOM 825 N GLU A 53 14.102 2.414 4.845 1.00 0.31 N ATOM 826 CA GLU A 53 15.293 1.577 4.644 1.00 0.35 C ATOM 827 C GLU A 53 15.525 0.647 5.842 1.00 0.31 C ATOM 828 O GLU A 53 15.750 -0.552 5.677 1.00 0.37 O ATOM 829 CB GLU A 53 16.519 2.474 4.416 1.00 0.43 C ATOM 830 CG GLU A 53 17.706 1.765 3.779 1.00 0.47 C ATOM 831 CD GLU A 53 17.895 2.118 2.314 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.227 3.287 2.014 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.732 1.228 1.456 1.00 0.74 O ATOM 0 H GLU A 53 14.188 3.356 4.463 1.00 0.31 H new ATOM 0 HA GLU A 53 15.134 0.952 3.765 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.228 3.312 3.782 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.832 2.892 5.373 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.612 2.021 4.328 1.00 0.47 H new ATOM 0 HG3 GLU A 53 17.571 0.687 3.872 1.00 0.47 H new ATOM 840 N THR A 54 15.472 1.216 7.044 1.00 0.28 N ATOM 841 CA THR A 54 15.654 0.456 8.274 1.00 0.31 C ATOM 842 C THR A 54 14.895 1.114 9.426 1.00 0.33 C ATOM 843 O THR A 54 14.972 2.333 9.606 1.00 0.52 O ATOM 844 CB THR A 54 17.146 0.337 8.651 1.00 0.40 C ATOM 845 OG1 THR A 54 17.855 1.517 8.232 1.00 0.63 O ATOM 846 CG2 THR A 54 17.774 -0.900 8.017 1.00 0.68 C ATOM 0 H THR A 54 15.303 2.211 7.191 1.00 0.28 H new ATOM 0 HA THR A 54 15.259 -0.545 8.098 1.00 0.31 H new ATOM 0 HB THR A 54 17.217 0.239 9.734 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.800 1.435 8.476 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.825 -0.959 8.299 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.254 -1.792 8.366 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.693 -0.834 6.932 1.00 0.68 H new ATOM 854 N GLY A 55 14.154 0.314 10.187 1.00 0.39 N ATOM 855 CA GLY A 55 13.405 0.839 11.313 1.00 0.44 C ATOM 856 C GLY A 55 11.912 0.579 11.218 1.00 0.42 C ATOM 857 O GLY A 55 11.214 0.600 12.230 1.00 0.76 O ATOM 0 H GLY A 55 14.059 -0.691 10.043 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.786 0.394 12.232 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.575 1.913 11.384 1.00 0.44 H new ATOM 861 N GLN A 56 11.412 0.336 10.010 1.00 0.34 N ATOM 862 CA GLN A 56 9.989 0.083 9.813 1.00 0.30 C ATOM 863 C GLN A 56 9.781 -1.110 8.881 1.00 0.27 C ATOM 864 O GLN A 56 10.681 -1.485 8.124 1.00 0.38 O ATOM 865 CB GLN A 56 9.305 1.334 9.250 1.00 0.37 C ATOM 866 CG GLN A 56 9.487 2.573 10.114 1.00 0.49 C ATOM 867 CD GLN A 56 8.577 2.582 11.327 1.00 0.76 C ATOM 868 OE1 GLN A 56 7.508 3.188 11.307 1.00 1.02 O ATOM 869 NE2 GLN A 56 8.993 1.903 12.389 1.00 0.89 N ATOM 0 H GLN A 56 11.969 0.309 9.156 1.00 0.34 H new ATOM 0 HA GLN A 56 9.539 -0.156 10.777 1.00 0.30 H new ATOM 0 HB2 GLN A 56 9.699 1.536 8.254 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.239 1.135 9.137 1.00 0.37 H new ATOM 0 HG2 GLN A 56 10.524 2.632 10.443 1.00 0.49 H new ATOM 0 HG3 GLN A 56 9.293 3.461 9.513 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.888 1.414 12.363 1.00 0.89 H new ATOM 0 HE22 GLN A 56 8.418 1.870 13.231 1.00 0.89 H new ATOM 878 N TYR A 57 8.597 -1.707 8.946 1.00 0.24 N ATOM 879 CA TYR A 57 8.265 -2.861 8.118 1.00 0.23 C ATOM 880 C TYR A 57 6.773 -2.852 7.790 1.00 0.25 C ATOM 881 O TYR A 57 5.935 -2.918 8.688 1.00 0.42 O ATOM 882 CB TYR A 57 8.648 -4.150 8.851 1.00 0.26 C ATOM 883 CG TYR A 57 8.681 -5.386 7.978 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.523 -6.107 7.720 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.872 -5.837 7.428 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.551 -7.242 6.936 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.911 -6.972 6.644 1.00 0.73 C ATOM 888 CZ TYR A 57 8.748 -7.673 6.401 1.00 0.79 C ATOM 889 OH TYR A 57 8.783 -8.809 5.624 1.00 1.03 O ATOM 0 H TYR A 57 7.846 -1.409 9.568 1.00 0.24 H new ATOM 0 HA TYR A 57 8.825 -2.811 7.184 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.630 -4.016 9.305 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.940 -4.314 9.664 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.585 -5.774 8.140 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.784 -5.291 7.617 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.641 -7.790 6.742 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.847 -7.309 6.223 1.00 0.73 H new ATOM 0 HH TYR A 57 9.702 -8.973 5.325 1.00 1.03 H new ATOM 899 N LEU A 58 6.448 -2.762 6.506 1.00 0.20 N ATOM 900 CA LEU A 58 5.053 -2.720 6.071 1.00 0.22 C ATOM 901 C LEU A 58 4.464 -4.125 5.978 1.00 0.23 C ATOM 902 O LEU A 58 4.999 -4.986 5.276 1.00 0.30 O ATOM 903 CB LEU A 58 4.947 -2.011 4.714 1.00 0.27 C ATOM 904 CG LEU A 58 3.609 -1.313 4.429 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.463 -2.318 4.394 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.340 -0.224 5.461 1.00 0.38 C ATOM 0 H LEU A 58 7.128 -2.717 5.747 1.00 0.20 H new ATOM 0 HA LEU A 58 4.481 -2.162 6.813 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.743 -1.270 4.649 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.128 -2.743 3.927 1.00 0.27 H new ATOM 0 HG LEU A 58 3.676 -0.846 3.446 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.528 -1.796 4.190 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.647 -3.052 3.610 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.394 -2.825 5.357 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.388 0.258 5.241 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.301 -0.667 6.456 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.139 0.517 5.425 1.00 0.38 H new ATOM 918 N ALA A 59 3.365 -4.349 6.693 1.00 0.23 N ATOM 919 CA ALA A 59 2.694 -5.640 6.692 1.00 0.27 C ATOM 920 C ALA A 59 1.180 -5.466 6.742 1.00 0.24 C ATOM 921 O ALA A 59 0.671 -4.478 7.286 1.00 0.26 O ATOM 922 CB ALA A 59 3.171 -6.488 7.862 1.00 0.35 C ATOM 0 H ALA A 59 2.920 -3.646 7.283 1.00 0.23 H new ATOM 0 HA ALA A 59 2.946 -6.154 5.764 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.659 -7.450 7.846 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.246 -6.648 7.781 1.00 0.35 H new ATOM 0 HB3 ALA A 59 2.950 -5.974 8.798 1.00 0.35 H new ATOM 928 N MET A 60 0.461 -6.423 6.166 1.00 0.28 N ATOM 929 CA MET A 60 -0.998 -6.377 6.143 1.00 0.30 C ATOM 930 C MET A 60 -1.568 -6.974 7.424 1.00 0.26 C ATOM 931 O MET A 60 -1.064 -7.982 7.921 1.00 0.44 O ATOM 932 CB MET A 60 -1.553 -7.137 4.929 1.00 0.40 C ATOM 933 CG MET A 60 -1.467 -8.653 5.056 1.00 0.73 C ATOM 934 SD MET A 60 -2.380 -9.519 3.761 1.00 0.93 S ATOM 935 CE MET A 60 -4.064 -9.106 4.207 1.00 1.97 C ATOM 0 H MET A 60 0.864 -7.241 5.708 1.00 0.28 H new ATOM 0 HA MET A 60 -1.299 -5.332 6.068 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.595 -6.853 4.781 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.008 -6.826 4.038 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.421 -8.957 5.021 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.854 -8.954 6.030 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.745 -9.842 3.780 1.00 1.97 H new ATOM 0 HE2 MET A 60 -4.164 -9.107 5.292 1.00 1.97 H new ATOM 0 HE3 MET A 60 -4.311 -8.117 3.821 1.00 1.97 H new ATOM 945 N ASP A 61 -2.616 -6.358 7.953 1.00 0.30 N ATOM 946 CA ASP A 61 -3.254 -6.849 9.166 1.00 0.31 C ATOM 947 C ASP A 61 -4.196 -7.997 8.817 1.00 0.29 C ATOM 948 O ASP A 61 -4.917 -7.942 7.810 1.00 0.34 O ATOM 949 CB ASP A 61 -4.002 -5.722 9.895 1.00 0.42 C ATOM 950 CG ASP A 61 -5.203 -6.214 10.681 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.023 -6.985 11.646 1.00 0.94 O ATOM 952 OD2 ASP A 61 -6.337 -5.831 10.330 1.00 0.96 O ATOM 0 H ASP A 61 -3.042 -5.518 7.561 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.484 -7.217 9.845 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.314 -5.217 10.573 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.331 -4.982 9.166 1.00 0.42 H new ATOM 957 N THR A 62 -4.166 -9.036 9.641 1.00 0.37 N ATOM 958 CA THR A 62 -4.990 -10.214 9.432 1.00 0.44 C ATOM 959 C THR A 62 -6.476 -9.860 9.315 1.00 0.41 C ATOM 960 O THR A 62 -7.183 -10.414 8.468 1.00 0.50 O ATOM 961 CB THR A 62 -4.783 -11.247 10.566 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.389 -12.497 10.216 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.361 -10.752 11.887 1.00 0.74 C ATOM 0 H THR A 62 -3.572 -9.084 10.469 1.00 0.37 H new ATOM 0 HA THR A 62 -4.673 -10.656 8.488 1.00 0.44 H new ATOM 0 HB THR A 62 -3.709 -11.384 10.693 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.250 -13.142 10.940 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.197 -11.503 12.660 1.00 0.74 H new ATOM 0 HG22 THR A 62 -4.869 -9.823 12.174 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.431 -10.576 11.773 1.00 0.74 H new ATOM 971 N ASP A 63 -6.941 -8.927 10.140 1.00 0.36 N ATOM 972 CA ASP A 63 -8.345 -8.536 10.121 1.00 0.41 C ATOM 973 C ASP A 63 -8.697 -7.782 8.840 1.00 0.40 C ATOM 974 O ASP A 63 -9.291 -8.355 7.924 1.00 0.65 O ATOM 975 CB ASP A 63 -8.697 -7.688 11.349 1.00 0.47 C ATOM 976 CG ASP A 63 -10.020 -6.960 11.196 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.078 -7.621 11.243 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.010 -5.722 11.034 1.00 0.75 O ATOM 0 H ASP A 63 -6.371 -8.431 10.825 1.00 0.36 H new ATOM 0 HA ASP A 63 -8.937 -9.451 10.150 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.739 -8.330 12.229 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -7.904 -6.960 11.523 1.00 0.47 H new ATOM 983 N GLY A 64 -8.311 -6.514 8.759 1.00 0.45 N ATOM 984 CA GLY A 64 -8.629 -5.723 7.584 1.00 0.50 C ATOM 985 C GLY A 64 -7.898 -4.393 7.521 1.00 0.43 C ATOM 986 O GLY A 64 -8.445 -3.411 7.007 1.00 0.64 O ATOM 0 H GLY A 64 -7.786 -6.021 9.482 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -8.388 -6.302 6.692 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -9.703 -5.538 7.563 1.00 0.50 H new ATOM 990 N LEU A 65 -6.671 -4.358 8.024 1.00 0.40 N ATOM 991 CA LEU A 65 -5.865 -3.142 8.018 1.00 0.34 C ATOM 992 C LEU A 65 -4.459 -3.426 7.485 1.00 0.33 C ATOM 993 O LEU A 65 -4.177 -4.525 6.997 1.00 0.60 O ATOM 994 CB LEU A 65 -5.779 -2.564 9.440 1.00 0.37 C ATOM 995 CG LEU A 65 -6.436 -1.193 9.650 1.00 0.71 C ATOM 996 CD1 LEU A 65 -5.650 -0.099 8.941 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.882 -1.208 9.175 1.00 1.16 C ATOM 0 H LEU A 65 -6.208 -5.164 8.445 1.00 0.40 H new ATOM 0 HA LEU A 65 -6.342 -2.415 7.361 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.238 -3.274 10.128 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.727 -2.487 9.717 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.429 -0.977 10.718 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -6.136 0.863 9.105 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -4.635 -0.065 9.337 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -5.615 -0.310 7.872 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -8.327 -0.226 9.334 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -7.914 -1.454 8.114 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.442 -1.955 9.737 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.593 -2.424 7.567 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.208 -2.535 7.128 1.00 0.36 C ATOM 1011 C LEU A 66 -1.345 -1.658 8.024 1.00 0.34 C ATOM 1012 O LEU A 66 -1.754 -0.553 8.383 1.00 0.45 O ATOM 1013 CB LEU A 66 -2.050 -2.110 5.663 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.714 -3.033 4.635 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.157 -2.619 4.390 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.930 -3.033 3.331 1.00 0.61 C ATOM 0 H LEU A 66 -3.833 -1.506 7.942 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.894 -3.576 7.201 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.463 -1.108 5.547 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.986 -2.045 5.434 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.714 -4.046 5.038 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.608 -3.288 3.657 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.715 -2.675 5.324 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.183 -1.597 4.013 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.417 -3.694 2.614 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -1.896 -2.021 2.927 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.915 -3.384 3.517 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.169 -2.140 8.398 1.00 0.28 N ATOM 1029 CA TYR A 67 0.701 -1.375 9.280 1.00 0.33 C ATOM 1030 C TYR A 67 2.161 -1.461 8.847 1.00 0.30 C ATOM 1031 O TYR A 67 2.547 -2.368 8.108 1.00 0.32 O ATOM 1032 CB TYR A 67 0.543 -1.864 10.726 1.00 0.43 C ATOM 1033 CG TYR A 67 1.041 -3.274 10.966 1.00 0.41 C ATOM 1034 CD1 TYR A 67 0.302 -4.379 10.559 1.00 0.45 C ATOM 1035 CD2 TYR A 67 2.254 -3.498 11.605 1.00 0.55 C ATOM 1036 CE1 TYR A 67 0.760 -5.665 10.782 1.00 0.55 C ATOM 1037 CE2 TYR A 67 2.719 -4.779 11.831 1.00 0.65 C ATOM 1038 CZ TYR A 67 1.969 -5.858 11.418 1.00 0.63 C ATOM 1039 OH TYR A 67 2.429 -7.138 11.649 1.00 0.80 O ATOM 0 H TYR A 67 0.202 -3.045 8.109 1.00 0.28 H new ATOM 0 HA TYR A 67 0.403 -0.328 9.219 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.080 -1.184 11.388 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.510 -1.812 11.002 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -0.645 -4.231 10.061 1.00 0.45 H new ATOM 0 HD2 TYR A 67 2.845 -2.655 11.931 1.00 0.55 H new ATOM 0 HE1 TYR A 67 0.174 -6.513 10.460 1.00 0.55 H new ATOM 0 HE2 TYR A 67 3.665 -4.934 12.329 1.00 0.65 H new ATOM 0 HH TYR A 67 3.295 -7.097 12.105 1.00 0.80 H new ATOM 1049 N GLY A 68 2.966 -0.509 9.317 1.00 0.34 N ATOM 1050 CA GLY A 68 4.377 -0.478 8.983 1.00 0.38 C ATOM 1051 C GLY A 68 5.263 -0.544 10.216 1.00 0.52 C ATOM 1052 O GLY A 68 6.109 0.328 10.429 1.00 1.27 O ATOM 0 H GLY A 68 2.659 0.247 9.929 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.611 -1.315 8.325 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.597 0.434 8.429 1.00 0.38 H new ATOM 1056 N SER A 69 5.078 -1.583 11.016 1.00 0.36 N ATOM 1057 CA SER A 69 5.851 -1.763 12.241 1.00 0.39 C ATOM 1058 C SER A 69 6.944 -2.810 12.038 1.00 0.32 C ATOM 1059 O SER A 69 6.796 -3.724 11.230 1.00 0.37 O ATOM 1060 CB SER A 69 4.925 -2.165 13.394 1.00 0.51 C ATOM 1061 OG SER A 69 3.870 -1.225 13.544 1.00 1.23 O ATOM 0 H SER A 69 4.395 -2.320 10.839 1.00 0.36 H new ATOM 0 HA SER A 69 6.331 -0.817 12.493 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.511 -3.156 13.206 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.496 -2.228 14.320 1.00 0.51 H new ATOM 0 HG SER A 69 4.239 -0.317 13.549 1.00 1.23 H new ATOM 1067 N GLN A 70 8.043 -2.666 12.768 1.00 0.31 N ATOM 1068 CA GLN A 70 9.167 -3.587 12.655 1.00 0.33 C ATOM 1069 C GLN A 70 8.767 -5.019 13.045 1.00 0.32 C ATOM 1070 O GLN A 70 8.883 -5.416 14.206 1.00 0.45 O ATOM 1071 CB GLN A 70 10.334 -3.100 13.526 1.00 0.43 C ATOM 1072 CG GLN A 70 11.705 -3.384 12.933 1.00 0.61 C ATOM 1073 CD GLN A 70 11.993 -4.865 12.790 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.546 -5.683 13.597 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.734 -5.225 11.757 1.00 1.29 N ATOM 0 H GLN A 70 8.180 -1.917 13.447 1.00 0.31 H new ATOM 0 HA GLN A 70 9.482 -3.607 11.612 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.233 -2.026 13.685 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.267 -3.575 14.505 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.777 -2.909 11.954 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.469 -2.930 13.564 1.00 0.61 H new ATOM 0 HE21 GLN A 70 13.086 -4.519 11.111 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.954 -6.209 11.606 1.00 1.29 H new ATOM 1084 N THR A 71 8.263 -5.777 12.076 1.00 0.29 N ATOM 1085 CA THR A 71 7.869 -7.164 12.301 1.00 0.33 C ATOM 1086 C THR A 71 7.841 -7.936 10.978 1.00 0.30 C ATOM 1087 O THR A 71 6.889 -7.820 10.204 1.00 0.38 O ATOM 1088 CB THR A 71 6.486 -7.258 12.987 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.445 -6.411 14.150 1.00 0.52 O ATOM 1090 CG2 THR A 71 6.180 -8.692 13.396 1.00 0.58 C ATOM 0 H THR A 71 8.117 -5.451 11.121 1.00 0.29 H new ATOM 0 HA THR A 71 8.611 -7.609 12.964 1.00 0.33 H new ATOM 0 HB THR A 71 5.734 -6.927 12.271 1.00 0.43 H new ATOM 0 HG1 THR A 71 7.355 -6.277 14.489 1.00 0.52 H new ATOM 0 HG21 THR A 71 5.202 -8.733 13.876 1.00 0.58 H new ATOM 0 HG22 THR A 71 6.177 -9.330 12.512 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.941 -9.042 14.093 1.00 0.58 H new ATOM 1098 N PRO A 72 8.903 -8.713 10.690 1.00 0.30 N ATOM 1099 CA PRO A 72 9.001 -9.496 9.452 1.00 0.33 C ATOM 1100 C PRO A 72 8.056 -10.698 9.440 1.00 0.31 C ATOM 1101 O PRO A 72 7.987 -11.454 10.415 1.00 0.44 O ATOM 1102 CB PRO A 72 10.458 -9.964 9.449 1.00 0.44 C ATOM 1103 CG PRO A 72 10.843 -10.011 10.888 1.00 0.50 C ATOM 1104 CD PRO A 72 10.091 -8.890 11.550 1.00 0.41 C ATOM 0 HA PRO A 72 8.720 -8.910 8.577 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.559 -10.943 8.980 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.094 -9.276 8.891 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.582 -10.972 11.331 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.919 -9.885 11.009 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.811 -9.144 12.573 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.689 -7.980 11.599 1.00 0.41 H new ATOM 1112 N ASN A 73 7.328 -10.872 8.339 1.00 0.28 N ATOM 1113 CA ASN A 73 6.399 -11.992 8.209 1.00 0.31 C ATOM 1114 C ASN A 73 5.869 -12.107 6.779 1.00 0.28 C ATOM 1115 O ASN A 73 5.905 -11.139 6.012 1.00 0.31 O ATOM 1116 CB ASN A 73 5.226 -11.839 9.182 1.00 0.38 C ATOM 1117 CG ASN A 73 4.523 -13.155 9.444 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.723 -13.617 8.633 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.818 -13.772 10.579 1.00 1.26 N ATOM 0 H ASN A 73 7.363 -10.255 7.528 1.00 0.28 H new ATOM 0 HA ASN A 73 6.947 -12.902 8.451 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.589 -11.429 10.125 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.512 -11.122 8.777 1.00 0.38 H new ATOM 0 HD21 ASN A 73 4.376 -14.663 10.805 1.00 1.26 H new ATOM 0 HD22 ASN A 73 5.487 -13.356 11.227 1.00 1.26 H new ATOM 1126 N GLU A 74 5.357 -13.288 6.437 1.00 0.28 N ATOM 1127 CA GLU A 74 4.819 -13.548 5.099 1.00 0.30 C ATOM 1128 C GLU A 74 3.731 -12.542 4.731 1.00 0.28 C ATOM 1129 O GLU A 74 3.519 -12.248 3.556 1.00 0.31 O ATOM 1130 CB GLU A 74 4.236 -14.954 5.020 1.00 0.37 C ATOM 1131 CG GLU A 74 5.223 -16.054 5.363 1.00 0.45 C ATOM 1132 CD GLU A 74 4.580 -17.421 5.327 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.728 -17.703 6.198 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.915 -18.216 4.428 1.00 0.79 O ATOM 0 H GLU A 74 5.303 -14.085 7.071 1.00 0.28 H new ATOM 0 HA GLU A 74 5.645 -13.450 4.395 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.384 -15.021 5.697 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.857 -15.122 4.012 1.00 0.37 H new ATOM 0 HG2 GLU A 74 6.056 -16.026 4.660 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.637 -15.874 6.355 1.00 0.45 H new ATOM 1141 N GLU A 75 3.039 -12.030 5.745 1.00 0.28 N ATOM 1142 CA GLU A 75 1.973 -11.048 5.543 1.00 0.30 C ATOM 1143 C GLU A 75 2.449 -9.862 4.685 1.00 0.34 C ATOM 1144 O GLU A 75 1.633 -9.087 4.182 1.00 0.60 O ATOM 1145 CB GLU A 75 1.447 -10.552 6.897 1.00 0.37 C ATOM 1146 CG GLU A 75 1.184 -11.666 7.909 1.00 0.49 C ATOM 1147 CD GLU A 75 0.501 -12.879 7.301 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.718 -12.815 7.045 1.00 1.26 O ATOM 1149 OE2 GLU A 75 1.178 -13.906 7.080 1.00 1.21 O ATOM 0 H GLU A 75 3.197 -12.280 6.721 1.00 0.28 H new ATOM 0 HA GLU A 75 1.163 -11.540 5.004 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.168 -9.853 7.321 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.523 -9.997 6.735 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.130 -11.975 8.353 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.565 -11.275 8.717 1.00 0.49 H new ATOM 1156 N CYS A 76 3.766 -9.713 4.539 1.00 0.25 N ATOM 1157 CA CYS A 76 4.341 -8.644 3.726 1.00 0.28 C ATOM 1158 C CYS A 76 4.278 -8.984 2.225 1.00 0.28 C ATOM 1159 O CYS A 76 4.577 -8.139 1.380 1.00 0.36 O ATOM 1160 CB CYS A 76 5.791 -8.400 4.153 1.00 0.31 C ATOM 1161 SG CYS A 76 6.440 -6.771 3.722 1.00 0.49 S ATOM 0 H CYS A 76 4.457 -10.323 4.976 1.00 0.25 H new ATOM 0 HA CYS A 76 3.756 -7.738 3.885 1.00 0.28 H new ATOM 0 HB2 CYS A 76 5.865 -8.532 5.233 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.423 -9.161 3.695 1.00 0.31 H new ATOM 0 HG CYS A 76 5.637 -5.852 4.169 1.00 0.49 H new ATOM 1167 N LEU A 77 3.898 -10.220 1.891 1.00 0.27 N ATOM 1168 CA LEU A 77 3.806 -10.639 0.493 1.00 0.31 C ATOM 1169 C LEU A 77 2.583 -10.020 -0.185 1.00 0.25 C ATOM 1170 O LEU A 77 1.460 -10.532 -0.065 1.00 0.31 O ATOM 1171 CB LEU A 77 3.750 -12.170 0.389 1.00 0.41 C ATOM 1172 CG LEU A 77 5.107 -12.879 0.314 1.00 0.54 C ATOM 1173 CD1 LEU A 77 5.830 -12.516 -0.973 1.00 0.76 C ATOM 1174 CD2 LEU A 77 5.965 -12.544 1.527 1.00 0.58 C ATOM 0 H LEU A 77 3.651 -10.943 2.566 1.00 0.27 H new ATOM 0 HA LEU A 77 4.700 -10.286 -0.021 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.206 -12.555 1.252 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.172 -12.435 -0.496 1.00 0.41 H new ATOM 0 HG LEU A 77 4.928 -13.954 0.315 1.00 0.54 H new ATOM 0 HD11 LEU A 77 6.791 -13.029 -1.008 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.226 -12.819 -1.828 1.00 0.76 H new ATOM 0 HD13 LEU A 77 5.992 -11.439 -1.008 1.00 0.76 H new ATOM 0 HD21 LEU A 77 6.922 -13.060 1.449 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.135 -11.468 1.567 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.453 -12.864 2.434 1.00 0.58 H new ATOM 1186 N PHE A 78 2.807 -8.918 -0.895 1.00 0.21 N ATOM 1187 CA PHE A 78 1.738 -8.214 -1.594 1.00 0.21 C ATOM 1188 C PHE A 78 1.818 -8.449 -3.103 1.00 0.19 C ATOM 1189 O PHE A 78 2.835 -8.919 -3.621 1.00 0.23 O ATOM 1190 CB PHE A 78 1.815 -6.710 -1.310 1.00 0.26 C ATOM 1191 CG PHE A 78 1.651 -6.351 0.141 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.397 -6.340 0.730 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.754 -6.019 0.912 1.00 0.32 C ATOM 1194 CE1 PHE A 78 0.247 -6.005 2.062 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.609 -5.686 2.246 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.354 -5.680 2.821 1.00 0.45 C ATOM 0 H PHE A 78 3.727 -8.491 -1.001 1.00 0.21 H new ATOM 0 HA PHE A 78 0.789 -8.606 -1.228 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.776 -6.334 -1.660 1.00 0.26 H new ATOM 0 HB3 PHE A 78 1.044 -6.202 -1.889 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.472 -6.596 0.142 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.737 -6.020 0.466 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.736 -5.997 2.510 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.476 -5.431 2.837 1.00 0.38 H new ATOM 0 HZ PHE A 78 1.238 -5.421 3.863 1.00 0.45 H new ATOM 1206 N LEU A 79 0.732 -8.124 -3.795 1.00 0.21 N ATOM 1207 CA LEU A 79 0.653 -8.274 -5.242 1.00 0.21 C ATOM 1208 C LEU A 79 0.350 -6.918 -5.880 1.00 0.20 C ATOM 1209 O LEU A 79 -0.712 -6.336 -5.630 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.439 -9.293 -5.601 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.192 -10.116 -6.868 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.081 -9.213 -8.088 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.056 -10.971 -6.716 1.00 0.35 C ATOM 0 H LEU A 79 -0.116 -7.750 -3.369 1.00 0.21 H new ATOM 0 HA LEU A 79 1.607 -8.638 -5.624 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.559 -9.979 -4.763 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.383 -8.760 -5.715 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.045 -10.778 -7.015 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.094 -9.821 -8.976 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.007 -8.651 -8.210 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.749 -8.520 -7.953 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.215 -11.548 -7.627 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.918 -10.328 -6.539 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.931 -11.650 -5.873 1.00 0.35 H new ATOM 1225 N GLU A 80 1.286 -6.410 -6.683 1.00 0.21 N ATOM 1226 CA GLU A 80 1.114 -5.115 -7.345 1.00 0.22 C ATOM 1227 C GLU A 80 0.594 -5.312 -8.767 1.00 0.22 C ATOM 1228 O GLU A 80 1.129 -6.120 -9.532 1.00 0.35 O ATOM 1229 CB GLU A 80 2.438 -4.338 -7.360 1.00 0.28 C ATOM 1230 CG GLU A 80 2.313 -2.899 -7.858 1.00 0.33 C ATOM 1231 CD GLU A 80 3.632 -2.137 -7.815 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.575 -2.532 -8.529 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.730 -1.128 -7.077 1.00 0.45 O ATOM 0 H GLU A 80 2.170 -6.874 -6.891 1.00 0.21 H new ATOM 0 HA GLU A 80 0.382 -4.534 -6.785 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.852 -4.327 -6.352 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.151 -4.869 -7.991 1.00 0.28 H new ATOM 0 HG2 GLU A 80 1.937 -2.906 -8.881 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.576 -2.373 -7.251 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.462 -4.584 -9.109 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.066 -4.672 -10.429 1.00 0.23 C ATOM 1242 C ARG A 81 -1.151 -3.288 -11.068 1.00 0.20 C ATOM 1243 O ARG A 81 -2.164 -2.599 -10.955 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.455 -5.307 -10.313 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.210 -5.412 -11.626 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.439 -6.292 -11.476 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.405 -6.083 -12.552 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.385 -6.938 -12.860 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.522 -8.081 -12.188 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -7.231 -6.646 -13.842 1.00 1.02 N ATOM 0 H ARG A 81 -0.920 -3.921 -8.483 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.445 -5.299 -11.070 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.350 -6.305 -9.888 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.051 -4.723 -9.612 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.508 -4.418 -11.959 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.555 -5.823 -12.395 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.134 -7.338 -11.462 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -4.916 -6.086 -10.518 1.00 0.50 H new ATOM 0 HE ARG A 81 -5.326 -5.229 -13.104 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -5.876 -8.309 -11.432 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.273 -8.728 -12.430 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -7.131 -5.772 -14.358 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.980 -7.296 -14.080 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.073 -2.877 -11.723 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.022 -1.575 -12.377 1.00 0.24 C ATOM 1266 C LEU A 82 -0.702 -1.627 -13.739 1.00 0.27 C ATOM 1267 O LEU A 82 -0.241 -2.325 -14.644 1.00 0.40 O ATOM 1268 CB LEU A 82 1.431 -1.117 -12.532 1.00 0.32 C ATOM 1269 CG LEU A 82 1.622 0.245 -13.208 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.968 1.350 -12.387 1.00 0.43 C ATOM 1271 CD2 LEU A 82 3.104 0.532 -13.411 1.00 0.54 C ATOM 0 H LEU A 82 0.780 -3.428 -11.816 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.556 -0.858 -11.753 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.890 -1.081 -11.544 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.972 -1.868 -13.108 1.00 0.32 H new ATOM 0 HG LEU A 82 1.138 0.217 -14.184 1.00 0.36 H new ATOM 0 HD11 LEU A 82 1.115 2.309 -12.884 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.099 1.150 -12.293 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.420 1.383 -11.396 1.00 0.43 H new ATOM 0 HD21 LEU A 82 3.224 1.503 -13.892 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.609 0.541 -12.445 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.541 -0.242 -14.042 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.790 -0.877 -13.889 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.524 -0.849 -15.150 1.00 0.36 C ATOM 1285 C GLU A 83 -2.041 0.289 -16.055 1.00 0.44 C ATOM 1286 O GLU A 83 -2.632 0.536 -17.107 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.028 -0.711 -14.900 1.00 0.42 C ATOM 1288 CG GLU A 83 -4.880 -1.145 -16.084 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.301 -0.633 -16.010 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.142 -1.300 -15.373 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -6.584 0.428 -16.604 1.00 1.24 O ATOM 0 H GLU A 83 -2.181 -0.284 -13.157 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.333 -1.795 -15.657 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.300 -1.306 -14.029 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.255 0.328 -14.660 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.419 -0.789 -17.006 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -4.894 -2.234 -16.134 1.00 0.67 H new ATOM 1298 N GLU A 84 -0.990 1.002 -15.638 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.427 2.104 -16.425 1.00 0.38 C ATOM 1300 C GLU A 84 -1.352 3.327 -16.440 1.00 0.31 C ATOM 1301 O GLU A 84 -0.908 4.444 -16.174 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.114 1.640 -17.863 1.00 0.50 C ATOM 1303 CG GLU A 84 -0.779 2.476 -18.954 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.452 1.995 -20.352 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.875 0.881 -20.719 1.00 1.14 O ATOM 1306 OE2 GLU A 84 0.221 2.733 -21.096 1.00 1.23 O ATOM 0 H GLU A 84 -0.509 0.834 -14.754 1.00 0.37 H new ATOM 0 HA GLU A 84 0.504 2.406 -15.944 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.966 1.662 -18.012 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.430 0.603 -17.974 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -1.860 2.455 -18.812 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -0.464 3.514 -18.850 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.628 3.110 -16.751 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.612 4.190 -16.821 1.00 0.37 C ATOM 1315 C ASN A 85 -3.785 4.904 -15.477 1.00 0.29 C ATOM 1316 O ASN A 85 -4.807 4.750 -14.805 1.00 0.33 O ATOM 1317 CB ASN A 85 -4.958 3.645 -17.309 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.061 4.691 -17.299 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.807 5.887 -17.459 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.293 4.248 -17.100 1.00 0.79 N ATOM 0 H ASN A 85 -3.008 2.187 -16.961 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.238 4.926 -17.532 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -4.841 3.258 -18.321 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.254 2.806 -16.679 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.073 4.905 -17.075 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.462 3.250 -16.972 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.767 5.671 -15.088 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.786 6.444 -13.846 1.00 0.33 C ATOM 1329 C HIS A 86 -3.425 5.664 -12.693 1.00 0.30 C ATOM 1330 O HIS A 86 -4.086 6.247 -11.832 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.526 7.777 -14.071 1.00 0.45 C ATOM 1332 CG HIS A 86 -5.027 7.665 -14.103 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.746 7.397 -15.252 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.946 7.794 -13.115 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -7.034 7.368 -14.967 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -7.182 7.607 -13.679 1.00 0.71 N ATOM 0 H HIS A 86 -1.906 5.774 -15.625 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.753 6.646 -13.563 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -3.244 8.472 -13.280 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -3.187 8.211 -15.012 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -5.344 7.245 -16.177 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.742 8.005 -12.076 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.832 7.180 -15.670 1.00 0.78 H new ATOM 1345 N TYR A 87 -3.211 4.351 -12.657 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.796 3.526 -11.611 1.00 0.34 C ATOM 1347 C TYR A 87 -3.110 2.161 -11.513 1.00 0.24 C ATOM 1348 O TYR A 87 -2.497 1.676 -12.472 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.307 3.348 -11.867 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.810 1.932 -11.663 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -5.795 1.019 -12.707 1.00 0.83 C ATOM 1352 CD2 TYR A 87 -6.284 1.508 -10.427 1.00 0.51 C ATOM 1353 CE1 TYR A 87 -6.236 -0.275 -12.528 1.00 1.03 C ATOM 1354 CE2 TYR A 87 -6.729 0.213 -10.242 1.00 0.75 C ATOM 1355 CZ TYR A 87 -6.702 -0.673 -11.297 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.140 -1.969 -11.123 1.00 1.27 O ATOM 0 H TYR A 87 -2.642 3.842 -13.334 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.646 4.036 -10.659 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.857 4.016 -11.204 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.530 3.657 -12.888 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.432 1.327 -13.676 1.00 0.83 H new ATOM 0 HD2 TYR A 87 -6.305 2.201 -9.599 1.00 0.51 H new ATOM 0 HE1 TYR A 87 -6.216 -0.973 -13.352 1.00 1.03 H new ATOM 0 HE2 TYR A 87 -7.096 -0.103 -9.276 1.00 0.75 H new ATOM 0 HH TYR A 87 -6.837 -2.520 -11.874 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.224 1.557 -10.339 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.664 0.241 -10.073 1.00 0.20 C ATOM 1368 C ASN A 88 -3.488 -0.448 -8.988 1.00 0.20 C ATOM 1369 O ASN A 88 -4.076 0.220 -8.134 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.191 0.346 -9.647 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.000 0.256 -8.143 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.341 1.321 -7.438 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.573 -0.770 -7.620 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.709 1.968 -9.542 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.702 -0.351 -10.987 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.622 -0.449 -10.128 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.782 1.291 -10.004 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.321 -1.571 -8.199 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.471 -0.821 -6.606 1.00 0.24 H new ATOM 1380 N THR A 89 -3.549 -1.766 -9.038 1.00 0.23 N ATOM 1381 CA THR A 89 -4.297 -2.539 -8.058 1.00 0.26 C ATOM 1382 C THR A 89 -3.354 -3.241 -7.081 1.00 0.21 C ATOM 1383 O THR A 89 -2.351 -3.825 -7.491 1.00 0.25 O ATOM 1384 CB THR A 89 -5.197 -3.593 -8.740 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.201 -3.404 -10.167 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.622 -3.514 -8.208 1.00 0.72 C ATOM 0 H THR A 89 -3.086 -2.329 -9.752 1.00 0.23 H new ATOM 0 HA THR A 89 -4.927 -1.838 -7.511 1.00 0.26 H new ATOM 0 HB THR A 89 -4.792 -4.579 -8.512 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.669 -2.571 -10.385 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.237 -4.265 -8.703 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.620 -3.697 -7.133 1.00 0.72 H new ATOM 0 HG23 THR A 89 -7.030 -2.523 -8.407 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.670 -3.168 -5.793 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.864 -3.812 -4.762 1.00 0.21 C ATOM 1396 C TYR A 90 -3.691 -4.863 -4.028 1.00 0.23 C ATOM 1397 O TYR A 90 -4.731 -4.546 -3.442 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.344 -2.783 -3.753 1.00 0.27 C ATOM 1399 CG TYR A 90 -1.088 -2.053 -4.181 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.096 -2.737 -4.432 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.083 -0.669 -4.315 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.247 -2.064 -4.802 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.061 0.010 -4.688 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.224 -0.688 -4.931 1.00 0.31 C ATOM 1405 OH TYR A 90 2.368 -0.004 -5.292 1.00 0.36 O ATOM 0 H TYR A 90 -4.483 -2.666 -5.436 1.00 0.21 H new ATOM 0 HA TYR A 90 -2.014 -4.289 -5.249 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -3.128 -2.049 -3.567 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -2.149 -3.289 -2.807 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.118 -3.813 -4.337 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.990 -0.115 -4.124 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.159 -2.611 -4.989 1.00 0.29 H new ATOM 0 HE2 TYR A 90 0.044 1.085 -4.789 1.00 0.31 H new ATOM 0 HH TYR A 90 3.046 -0.641 -5.602 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.230 -6.108 -4.061 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.936 -7.198 -3.394 1.00 0.26 C ATOM 1417 C ILE A 91 -2.967 -8.081 -2.615 1.00 0.27 C ATOM 1418 O ILE A 91 -1.767 -8.117 -2.905 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.739 -8.067 -4.390 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.815 -8.653 -5.464 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.856 -7.246 -5.027 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.500 -9.629 -6.394 1.00 0.31 C ATOM 0 H ILE A 91 -2.374 -6.388 -4.540 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.640 -6.735 -2.702 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.189 -8.895 -3.843 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.396 -7.837 -6.053 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.980 -9.156 -4.976 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.413 -7.870 -5.726 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.528 -6.882 -4.250 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.426 -6.399 -5.561 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.782 -10.000 -7.125 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.895 -10.465 -5.817 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.317 -9.126 -6.911 1.00 0.31 H new ATOM 1434 N SER A 92 -3.492 -8.772 -1.614 1.00 0.33 N ATOM 1435 CA SER A 92 -2.689 -9.658 -0.787 1.00 0.37 C ATOM 1436 C SER A 92 -2.261 -10.893 -1.584 1.00 0.31 C ATOM 1437 O SER A 92 -3.089 -11.542 -2.231 1.00 0.44 O ATOM 1438 CB SER A 92 -3.486 -10.079 0.450 1.00 0.50 C ATOM 1439 OG SER A 92 -4.181 -8.975 1.011 1.00 0.82 O ATOM 0 H SER A 92 -4.478 -8.735 -1.354 1.00 0.33 H new ATOM 0 HA SER A 92 -1.793 -9.125 -0.469 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.196 -10.861 0.180 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.812 -10.504 1.194 1.00 0.50 H new ATOM 0 HG SER A 92 -5.072 -9.262 1.301 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.972 -11.213 -1.540 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.454 -12.369 -2.261 1.00 0.31 C ATOM 1447 C LYS A 93 -0.682 -13.643 -1.450 1.00 0.29 C ATOM 1448 O LYS A 93 -1.407 -14.540 -1.880 1.00 0.35 O ATOM 1449 CB LYS A 93 1.036 -12.180 -2.574 1.00 0.42 C ATOM 1450 CG LYS A 93 1.627 -13.249 -3.481 1.00 0.55 C ATOM 1451 CD LYS A 93 1.877 -14.548 -2.731 1.00 0.74 C ATOM 1452 CE LYS A 93 3.105 -15.277 -3.259 1.00 0.80 C ATOM 1453 NZ LYS A 93 2.937 -15.723 -4.668 1.00 0.80 N ATOM 0 H LYS A 93 -0.270 -10.691 -1.015 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.990 -12.463 -3.205 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.176 -11.206 -3.042 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.593 -12.167 -1.637 1.00 0.42 H new ATOM 0 HG2 LYS A 93 0.949 -13.435 -4.314 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.564 -12.888 -3.906 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.008 -14.336 -1.670 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.004 -15.194 -2.821 1.00 0.74 H new ATOM 0 HE2 LYS A 93 3.972 -14.620 -3.190 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.309 -16.142 -2.629 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 2.857 -16.760 -4.697 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.075 -15.298 -5.066 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.761 -15.423 -5.228 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.078 -13.708 -0.262 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.218 -14.880 0.601 1.00 0.31 C ATOM 1469 C LYS A 94 -1.691 -15.172 0.886 1.00 0.31 C ATOM 1470 O LYS A 94 -2.126 -16.321 0.831 1.00 0.56 O ATOM 1471 CB LYS A 94 0.539 -14.684 1.924 1.00 0.36 C ATOM 1472 CG LYS A 94 0.319 -15.815 2.921 1.00 0.55 C ATOM 1473 CD LYS A 94 1.085 -15.591 4.217 1.00 0.55 C ATOM 1474 CE LYS A 94 0.726 -16.639 5.261 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.426 -16.413 6.555 1.00 0.69 N ATOM 0 H LYS A 94 0.509 -12.967 0.122 1.00 0.28 H new ATOM 0 HA LYS A 94 0.215 -15.731 0.074 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.605 -14.597 1.714 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.225 -13.744 2.378 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.745 -15.903 3.140 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.632 -16.758 2.474 1.00 0.55 H new ATOM 0 HD2 LYS A 94 2.156 -15.624 4.019 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.863 -14.597 4.606 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.351 -16.629 5.427 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.980 -17.628 4.881 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.931 -16.926 7.312 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.405 -16.758 6.485 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.432 -15.396 6.773 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.462 -14.124 1.161 1.00 0.27 N ATOM 1490 CA HIS A 95 -3.883 -14.274 1.474 1.00 0.28 C ATOM 1491 C HIS A 95 -4.726 -14.390 0.202 1.00 0.27 C ATOM 1492 O HIS A 95 -5.793 -13.787 0.110 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.382 -13.092 2.318 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.869 -13.085 3.727 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.688 -12.944 4.833 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.611 -13.191 4.211 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.949 -12.966 5.927 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.690 -13.115 5.575 1.00 0.50 N ATOM 0 H HIS A 95 -2.128 -13.160 1.174 1.00 0.27 H new ATOM 0 HA HIS A 95 -3.994 -15.195 2.047 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.088 -12.162 1.831 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.472 -13.110 2.340 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -1.710 -13.313 3.628 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -4.316 -12.877 6.939 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.899 -13.166 6.217 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.259 -15.178 -0.767 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.985 -15.359 -2.025 1.00 0.35 C ATOM 1509 C ALA A 96 -6.444 -15.732 -1.767 1.00 0.34 C ATOM 1510 O ALA A 96 -7.345 -15.274 -2.468 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.310 -16.424 -2.875 1.00 0.44 C ATOM 0 H ALA A 96 -3.385 -15.700 -0.706 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.968 -14.413 -2.566 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.861 -16.548 -3.808 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.287 -16.119 -3.095 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.298 -17.369 -2.332 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.665 -16.567 -0.755 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.012 -16.998 -0.388 1.00 0.38 C ATOM 1519 C GLU A 97 -8.915 -15.802 -0.096 1.00 0.37 C ATOM 1520 O GLU A 97 -10.116 -15.837 -0.371 1.00 0.50 O ATOM 1521 CB GLU A 97 -7.964 -17.897 0.849 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.248 -19.217 0.625 1.00 0.57 C ATOM 1523 CD GLU A 97 -7.915 -20.072 -0.431 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.147 -20.266 -0.357 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -7.206 -20.564 -1.331 1.00 0.93 O ATOM 0 H GLU A 97 -5.926 -16.960 -0.172 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.421 -17.552 -1.233 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.469 -17.359 1.657 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -8.983 -18.099 1.178 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.217 -19.021 0.330 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.211 -19.769 1.564 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.329 -14.741 0.455 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.080 -13.548 0.808 1.00 0.38 C ATOM 1534 C LYS A 98 -8.364 -12.301 0.296 1.00 0.37 C ATOM 1535 O LYS A 98 -7.840 -11.500 1.072 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.268 -13.479 2.330 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.713 -14.798 2.951 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.709 -14.741 4.471 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.932 -14.016 5.009 1.00 0.78 C ATOM 1540 NZ LYS A 98 -11.053 -14.135 6.486 1.00 0.89 N ATOM 0 H LYS A 98 -7.332 -14.688 0.666 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.062 -13.595 0.338 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.330 -13.169 2.790 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -10.006 -12.711 2.562 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.715 -15.044 2.600 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.052 -15.598 2.616 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -9.680 -15.754 4.873 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.806 -14.236 4.814 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.877 -12.962 4.735 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.828 -14.421 4.539 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.901 -13.625 6.807 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -11.132 -15.138 6.748 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.211 -13.725 6.937 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.324 -12.156 -1.023 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.677 -11.008 -1.641 1.00 0.48 C ATOM 1556 C ASN A 99 -8.604 -9.796 -1.597 1.00 0.44 C ATOM 1557 O ASN A 99 -9.628 -9.754 -2.279 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.257 -11.321 -3.087 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.433 -11.416 -4.046 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.139 -12.425 -4.082 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.648 -10.375 -4.839 1.00 1.07 N ATOM 0 H ASN A 99 -8.731 -12.818 -1.683 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.774 -10.778 -1.076 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.574 -10.546 -3.436 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.707 -12.262 -3.103 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -9.419 -10.393 -5.507 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -8.043 -9.556 -4.781 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.251 -8.824 -0.767 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.049 -7.615 -0.624 1.00 0.32 C ATOM 1570 C TRP A 100 -8.238 -6.387 -0.998 1.00 0.32 C ATOM 1571 O TRP A 100 -7.069 -6.261 -0.622 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.571 -7.487 0.807 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.494 -8.597 1.196 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.227 -9.616 2.062 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -11.830 -8.804 0.726 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.316 -10.444 2.161 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.313 -9.968 1.350 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.662 -8.118 -0.163 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -13.595 -10.458 1.117 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -13.933 -8.605 -0.392 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.390 -9.767 0.243 1.00 1.08 C ATOM 0 H TRP A 100 -7.416 -8.850 -0.182 1.00 0.33 H new ATOM 0 HA TRP A 100 -9.899 -7.686 -1.303 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.726 -7.467 1.495 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.092 -6.535 0.914 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.296 -9.751 2.592 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -11.374 -11.279 2.744 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.317 -7.224 -0.661 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -13.950 -11.352 1.609 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.587 -8.081 -1.073 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.389 -10.124 0.039 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.861 -5.492 -1.753 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.210 -4.264 -2.182 1.00 0.29 C ATOM 1594 C PHE A 101 -7.954 -3.362 -0.978 1.00 0.29 C ATOM 1595 O PHE A 101 -8.843 -3.145 -0.150 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.063 -3.529 -3.222 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.501 -4.393 -4.373 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.596 -4.791 -5.343 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.819 -4.809 -4.481 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.995 -5.586 -6.400 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -11.226 -5.603 -5.538 1.00 0.64 C ATOM 1602 CZ PHE A 101 -10.313 -5.992 -6.498 1.00 0.64 C ATOM 0 H PHE A 101 -9.821 -5.595 -2.082 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.257 -4.522 -2.644 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.946 -3.121 -2.730 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.496 -2.683 -3.611 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.565 -4.476 -5.272 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.536 -4.510 -3.731 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -8.278 -5.890 -7.149 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -12.256 -5.918 -5.612 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.628 -6.612 -7.324 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.737 -2.848 -0.880 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.355 -1.971 0.225 1.00 0.35 C ATOM 1614 C VAL A 102 -7.054 -0.600 0.113 1.00 0.55 C ATOM 1615 O VAL A 102 -8.202 -0.514 -0.336 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.815 -1.799 0.287 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.137 -3.140 0.527 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.286 -1.152 -0.986 1.00 0.82 C ATOM 0 H VAL A 102 -5.992 -3.022 -1.554 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.683 -2.441 1.152 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.582 -1.139 1.123 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.057 -3.000 0.567 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.484 -3.559 1.471 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.384 -3.823 -0.286 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.204 -1.043 -0.916 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.533 -1.779 -1.843 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.742 -0.170 -1.112 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.388 0.466 0.552 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.980 1.786 0.469 1.00 0.46 C ATOM 1630 C GLY A 103 -7.005 2.493 1.805 1.00 0.41 C ATOM 1631 O GLY A 103 -7.803 2.148 2.684 1.00 0.59 O ATOM 0 H GLY A 103 -5.454 0.437 0.961 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.420 2.388 -0.247 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.997 1.701 0.087 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.125 3.471 1.951 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.031 4.251 3.178 1.00 0.34 C ATOM 1637 C LEU A 104 -6.916 5.490 3.080 1.00 0.34 C ATOM 1638 O LEU A 104 -7.572 5.711 2.058 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.573 4.646 3.468 1.00 0.38 C ATOM 1640 CG LEU A 104 -3.790 5.215 2.280 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -2.854 6.325 2.737 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.004 4.110 1.590 1.00 0.66 C ATOM 0 H LEU A 104 -5.459 3.746 1.229 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.381 3.635 4.006 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.569 5.384 4.270 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.045 3.768 3.840 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.500 5.636 1.568 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.307 6.716 1.879 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -3.435 7.127 3.193 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.148 5.928 3.467 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.452 4.527 0.748 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.304 3.665 2.297 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.692 3.345 1.230 1.00 0.66 H new ATOM 1654 N LYS A 105 -6.938 6.289 4.135 1.00 0.39 N ATOM 1655 CA LYS A 105 -7.755 7.494 4.162 1.00 0.41 C ATOM 1656 C LYS A 105 -7.000 8.629 4.836 1.00 0.32 C ATOM 1657 O LYS A 105 -6.247 8.397 5.780 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.064 7.221 4.910 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.207 8.140 4.511 1.00 0.58 C ATOM 1660 CD LYS A 105 -10.749 7.792 3.134 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.035 8.546 2.836 1.00 0.73 C ATOM 1662 NZ LYS A 105 -11.789 9.983 2.543 1.00 0.60 N ATOM 0 H LYS A 105 -6.399 6.125 4.985 1.00 0.39 H new ATOM 0 HA LYS A 105 -7.983 7.785 3.137 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.363 6.188 4.733 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -8.887 7.322 5.981 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.008 8.067 5.247 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -9.862 9.174 4.517 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.002 8.030 2.377 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -10.932 6.719 3.074 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.536 8.084 1.985 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -12.710 8.461 3.688 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.692 10.453 2.329 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.350 10.436 3.370 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.153 10.066 1.724 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.212 9.852 4.356 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.546 11.029 4.922 1.00 0.46 C ATOM 1678 C LYS A 106 -6.683 11.048 6.445 1.00 0.51 C ATOM 1679 O LYS A 106 -5.767 11.467 7.155 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.112 12.320 4.318 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.617 12.469 4.479 1.00 0.67 C ATOM 1682 CD LYS A 106 -9.118 13.785 3.908 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.624 13.909 4.061 1.00 1.14 C ATOM 1684 NZ LYS A 106 -11.177 15.075 3.322 1.00 1.43 N ATOM 0 H LYS A 106 -7.838 10.057 3.577 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.487 10.969 4.671 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.621 13.174 4.785 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.865 12.351 3.257 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.120 11.641 3.979 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.877 12.409 5.536 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.628 14.616 4.416 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.850 13.853 2.854 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -11.099 12.996 3.701 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.872 14.002 5.118 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -12.207 15.115 3.458 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.746 15.950 3.682 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.965 14.976 2.309 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.829 10.585 6.937 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.083 10.523 8.375 1.00 0.70 C ATOM 1700 C ASN A 107 -7.093 9.576 9.068 1.00 0.65 C ATOM 1701 O ASN A 107 -6.775 9.750 10.246 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.528 10.070 8.640 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.716 9.486 10.031 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.627 8.272 10.225 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -9.974 10.344 11.006 1.00 1.38 N ATOM 0 H ASN A 107 -8.599 10.246 6.360 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.944 11.522 8.789 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.199 10.919 8.514 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.813 9.325 7.897 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.107 10.007 11.960 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.040 11.342 10.803 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.600 8.587 8.326 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.668 7.620 8.874 1.00 0.55 C ATOM 1714 C GLY A 108 -6.277 6.231 8.934 1.00 0.52 C ATOM 1715 O GLY A 108 -5.641 5.242 8.561 1.00 1.00 O ATOM 0 H GLY A 108 -6.834 8.439 7.344 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.766 7.596 8.263 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.367 7.930 9.875 1.00 0.55 H new ATOM 1719 N SER A 109 -7.524 6.159 9.393 1.00 0.52 N ATOM 1720 CA SER A 109 -8.234 4.891 9.501 1.00 0.56 C ATOM 1721 C SER A 109 -8.446 4.268 8.120 1.00 0.51 C ATOM 1722 O SER A 109 -9.454 4.521 7.455 1.00 0.81 O ATOM 1723 CB SER A 109 -9.575 5.101 10.208 1.00 0.75 C ATOM 1724 OG SER A 109 -9.389 5.484 11.565 1.00 0.97 O ATOM 0 H SER A 109 -8.064 6.969 9.697 1.00 0.52 H new ATOM 0 HA SER A 109 -7.629 4.203 10.091 1.00 0.56 H new ATOM 0 HB2 SER A 109 -10.147 5.868 9.686 1.00 0.75 H new ATOM 0 HB3 SER A 109 -10.160 4.182 10.164 1.00 0.75 H new ATOM 0 HG SER A 109 -9.394 6.462 11.633 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.474 3.472 7.690 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.539 2.803 6.395 1.00 0.38 C ATOM 1732 C CYS A 110 -8.702 1.804 6.363 1.00 0.36 C ATOM 1733 O CYS A 110 -9.283 1.485 7.407 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.214 2.090 6.113 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.750 3.146 6.295 1.00 0.61 S ATOM 0 H CYS A 110 -6.627 3.273 8.222 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.711 3.550 5.621 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.121 1.239 6.788 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.237 1.691 5.099 1.00 0.47 H new ATOM 0 HG CYS A 110 -4.980 4.055 7.196 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.046 1.314 5.169 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.145 0.361 5.027 1.00 0.44 C ATOM 1743 C LYS A 111 -9.806 -0.752 4.041 1.00 0.47 C ATOM 1744 O LYS A 111 -9.847 -0.551 2.824 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.423 1.076 4.578 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.935 2.100 5.578 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.231 1.466 6.931 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.268 2.504 8.044 1.00 0.94 C ATOM 1749 NZ LYS A 111 -11.848 1.932 9.350 1.00 1.27 N ATOM 0 H LYS A 111 -8.582 1.560 4.294 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.307 -0.091 6.006 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.235 1.573 3.626 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.201 0.333 4.401 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -11.195 2.891 5.701 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.840 2.568 5.189 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.188 0.945 6.887 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.471 0.718 7.156 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.614 3.337 7.785 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.277 2.906 8.132 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -11.887 2.671 10.081 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -12.487 1.154 9.610 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.876 1.571 9.274 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.461 -1.919 4.578 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.137 -3.088 3.762 1.00 0.36 C ATOM 1765 C ARG A 112 -10.126 -4.221 4.052 1.00 0.37 C ATOM 1766 O ARG A 112 -10.626 -4.869 3.134 1.00 0.47 O ATOM 1767 CB ARG A 112 -7.698 -3.553 4.036 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.143 -4.519 2.996 1.00 0.42 C ATOM 1769 CD ARG A 112 -7.626 -5.949 3.216 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.062 -6.559 4.428 1.00 0.81 N ATOM 1771 CZ ARG A 112 -7.629 -7.581 5.092 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -8.794 -8.085 4.686 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -7.035 -8.092 6.170 1.00 1.57 N ATOM 0 H ARG A 112 -9.398 -2.082 5.583 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.215 -2.812 2.710 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.049 -2.679 4.086 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.663 -4.032 5.015 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.439 -4.187 2.001 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.054 -4.497 3.028 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -8.714 -5.954 3.284 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.358 -6.556 2.351 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.185 -6.183 4.788 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -9.261 -7.695 3.867 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -9.219 -8.861 5.194 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -6.147 -7.708 6.494 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -7.468 -8.867 6.671 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.405 -4.450 5.336 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.322 -5.508 5.731 1.00 0.43 C ATOM 1789 C GLY A 113 -12.782 -5.076 5.798 1.00 0.41 C ATOM 1790 O GLY A 113 -13.641 -5.765 5.242 1.00 0.46 O ATOM 0 H GLY A 113 -10.010 -3.919 6.112 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.231 -6.334 5.026 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.022 -5.888 6.708 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.102 -3.941 6.467 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.482 -3.457 6.607 1.00 0.50 C ATOM 1796 C PRO A 114 -15.346 -3.732 5.376 1.00 0.41 C ATOM 1797 O PRO A 114 -16.341 -4.460 5.452 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.285 -1.956 6.825 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.005 -1.867 7.584 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.151 -3.030 7.135 1.00 0.52 C ATOM 0 HA PRO A 114 -15.017 -3.959 7.413 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.226 -1.419 5.878 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.113 -1.522 7.386 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.503 -0.920 7.387 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.188 -1.913 8.658 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.364 -2.707 6.454 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.662 -3.515 7.980 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.956 -3.161 4.242 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.688 -3.342 2.996 1.00 0.39 C ATOM 1810 C ARG A 115 -14.993 -2.599 1.863 1.00 0.44 C ATOM 1811 O ARG A 115 -15.223 -1.407 1.658 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.132 -2.846 3.140 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.941 -2.917 1.852 1.00 0.57 C ATOM 1814 CD ARG A 115 -19.092 -1.924 1.869 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.625 -0.545 2.041 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.430 0.519 2.110 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.748 0.382 1.981 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.910 1.727 2.298 1.00 1.47 N ATOM 0 H ARG A 115 -14.132 -2.566 4.161 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.708 -4.406 2.762 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.634 -3.437 3.906 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -17.118 -1.815 3.492 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.292 -2.711 1.001 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.330 -3.926 1.719 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.653 -2.003 0.938 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.778 -2.178 2.677 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.620 -0.388 2.113 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -21.152 -0.542 1.828 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.354 1.201 2.035 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.900 1.839 2.389 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.521 2.542 2.351 1.00 1.47 H new ATOM 1832 N THR A 116 -14.128 -3.300 1.149 1.00 0.36 N ATOM 1833 CA THR A 116 -13.407 -2.709 0.039 1.00 0.38 C ATOM 1834 C THR A 116 -14.019 -3.182 -1.282 1.00 0.39 C ATOM 1835 O THR A 116 -14.112 -4.384 -1.535 1.00 0.51 O ATOM 1836 CB THR A 116 -11.897 -3.047 0.112 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.136 -2.041 -0.568 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.589 -4.419 -0.481 1.00 0.58 C ATOM 0 H THR A 116 -13.909 -4.281 1.321 1.00 0.36 H new ATOM 0 HA THR A 116 -13.497 -1.624 0.097 1.00 0.38 H new ATOM 0 HB THR A 116 -11.617 -3.071 1.165 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.181 -2.181 -0.396 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.519 -4.615 -0.409 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.136 -5.184 0.070 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.892 -4.439 -1.528 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.465 -2.231 -2.100 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.093 -2.535 -3.387 1.00 0.39 C ATOM 1848 C HIS A 117 -15.620 -1.255 -4.023 1.00 0.36 C ATOM 1849 O HIS A 117 -15.156 -0.837 -5.081 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.252 -3.531 -3.216 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.879 -4.951 -3.508 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.286 -6.013 -2.730 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -15.127 -5.479 -4.498 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -15.801 -7.133 -3.231 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.094 -6.837 -4.306 1.00 0.89 N ATOM 0 H HIS A 117 -14.403 -1.234 -1.893 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.338 -2.985 -4.032 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.626 -3.467 -2.194 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.070 -3.238 -3.874 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.642 -4.933 -5.293 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -15.956 -8.124 -2.830 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.604 -7.508 -4.897 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.590 -0.638 -3.358 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.186 0.597 -3.843 1.00 0.41 C ATOM 1866 C TYR A 118 -16.314 1.781 -3.444 1.00 0.39 C ATOM 1867 O TYR A 118 -15.742 1.797 -2.350 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.605 0.767 -3.290 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.565 -0.314 -3.742 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.697 -1.500 -3.027 1.00 0.75 C ATOM 1871 CD2 TYR A 118 -20.336 -0.149 -4.883 1.00 0.79 C ATOM 1872 CE1 TYR A 118 -20.570 -2.488 -3.440 1.00 0.87 C ATOM 1873 CE2 TYR A 118 -21.211 -1.133 -5.302 1.00 0.92 C ATOM 1874 CZ TYR A 118 -21.325 -2.301 -4.577 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.201 -3.284 -4.990 1.00 1.05 O ATOM 0 H TYR A 118 -16.980 -0.976 -2.478 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.250 0.553 -4.930 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.563 0.772 -2.201 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.993 1.738 -3.599 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.108 -1.651 -2.135 1.00 0.75 H new ATOM 0 HD2 TYR A 118 -20.251 0.764 -5.454 1.00 0.79 H new ATOM 0 HE1 TYR A 118 -20.660 -3.403 -2.874 1.00 0.87 H new ATOM 0 HE2 TYR A 118 -21.803 -0.988 -6.193 1.00 0.92 H new ATOM 0 HH TYR A 118 -22.656 -2.994 -5.808 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.213 2.760 -4.332 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.392 3.920 -4.067 1.00 0.39 C ATOM 1887 C GLY A 119 -14.014 3.761 -4.675 1.00 0.37 C ATOM 1888 O GLY A 119 -13.260 2.860 -4.288 1.00 0.44 O ATOM 0 H GLY A 119 -16.688 2.770 -5.235 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.872 4.810 -4.474 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.303 4.069 -2.991 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.681 4.645 -5.616 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.394 4.600 -6.314 1.00 0.38 C ATOM 1894 C GLN A 120 -11.241 4.268 -5.368 1.00 0.37 C ATOM 1895 O GLN A 120 -10.307 3.568 -5.755 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.123 5.925 -7.038 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.108 6.209 -8.163 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.685 7.380 -9.034 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -12.006 7.202 -10.045 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.081 8.582 -8.650 1.00 1.00 N ATOM 0 H GLN A 120 -14.290 5.407 -5.915 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.456 3.800 -7.051 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.162 6.740 -6.316 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.112 5.908 -7.445 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.210 5.319 -8.784 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.090 6.415 -7.737 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.643 8.688 -7.805 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.824 9.403 -9.198 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.316 4.752 -4.128 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.269 4.493 -3.136 1.00 0.61 C ATOM 1911 C LYS A 121 -9.908 3.008 -3.070 1.00 0.58 C ATOM 1912 O LYS A 121 -8.769 2.657 -2.774 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.699 4.973 -1.738 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.747 4.086 -1.054 1.00 1.06 C ATOM 1915 CD LYS A 121 -11.153 3.257 0.092 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.557 1.945 -0.404 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.219 1.000 0.698 1.00 1.70 N ATOM 0 H LYS A 121 -12.088 5.324 -3.786 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.390 5.053 -3.454 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.817 5.029 -1.100 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.097 5.984 -1.822 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.552 4.711 -0.667 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.190 3.417 -1.792 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -10.382 3.838 0.598 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -11.929 3.048 0.828 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.264 1.465 -1.081 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -9.657 2.157 -0.981 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -9.667 0.205 0.317 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.659 1.495 1.421 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -11.095 0.639 1.127 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.885 2.142 -3.328 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.668 0.700 -3.268 1.00 0.65 C ATOM 1933 C ALA A 122 -9.884 0.188 -4.473 1.00 0.57 C ATOM 1934 O ALA A 122 -9.160 -0.799 -4.368 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.002 -0.027 -3.159 1.00 0.77 C ATOM 0 H ALA A 122 -11.835 2.415 -3.581 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.070 0.495 -2.380 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.828 -1.102 -3.115 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.519 0.294 -2.255 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.615 0.206 -4.029 1.00 0.77 H new ATOM 1941 N ILE A 123 -10.019 0.861 -5.613 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.329 0.435 -6.826 1.00 0.48 C ATOM 1943 C ILE A 123 -8.757 1.633 -7.585 1.00 0.41 C ATOM 1944 O ILE A 123 -8.981 1.788 -8.791 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.267 -0.373 -7.763 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.140 -1.344 -6.960 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.453 -1.141 -8.793 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.444 -0.740 -6.483 1.00 0.79 C ATOM 0 H ILE A 123 -10.595 1.696 -5.722 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.509 -0.212 -6.513 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.918 0.333 -8.278 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.358 -2.217 -7.576 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.576 -1.696 -6.096 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.125 -1.702 -9.442 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.870 -0.441 -9.392 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.780 -1.831 -8.284 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.007 -1.486 -5.923 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.235 0.115 -5.840 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -13.030 -0.413 -7.342 1.00 0.79 H new ATOM 1960 N LEU A 124 -8.013 2.477 -6.877 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.408 3.654 -7.487 1.00 0.29 C ATOM 1962 C LEU A 124 -6.216 4.149 -6.669 1.00 0.26 C ATOM 1963 O LEU A 124 -6.335 5.090 -5.881 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.445 4.771 -7.647 1.00 0.33 C ATOM 1965 CG LEU A 124 -8.021 5.922 -8.562 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.804 5.427 -9.986 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.053 7.043 -8.529 1.00 0.58 C ATOM 0 H LEU A 124 -7.815 2.367 -5.882 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.046 3.369 -8.475 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.366 4.338 -8.037 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.675 5.176 -6.662 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.075 6.320 -8.195 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.503 6.262 -10.619 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -7.023 4.667 -9.992 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.731 4.998 -10.367 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.733 7.852 -9.186 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -10.016 6.661 -8.867 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.149 7.419 -7.511 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.074 3.490 -6.845 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.844 3.860 -6.148 1.00 0.23 C ATOM 1981 C PHE A 125 -2.784 4.241 -7.177 1.00 0.17 C ATOM 1982 O PHE A 125 -2.650 3.567 -8.206 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.327 2.702 -5.281 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.400 1.960 -4.533 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.075 2.559 -3.482 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.728 0.659 -4.882 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.057 1.875 -2.795 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.709 -0.030 -4.196 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.375 0.580 -3.151 1.00 0.54 C ATOM 0 H PHE A 125 -4.974 2.690 -7.470 1.00 0.20 H new ATOM 0 HA PHE A 125 -4.056 4.705 -5.493 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.792 1.998 -5.918 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.606 3.095 -4.564 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.830 3.572 -3.197 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.211 0.179 -5.699 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.577 2.353 -1.978 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -5.955 -1.044 -4.476 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.143 0.044 -2.613 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.029 5.301 -6.900 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.998 5.764 -7.822 1.00 0.19 C ATOM 2001 C LEU A 126 0.387 5.750 -7.169 1.00 0.20 C ATOM 2002 O LEU A 126 0.771 6.693 -6.470 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.332 7.171 -8.331 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.396 7.717 -9.416 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.410 6.810 -10.640 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.796 9.132 -9.798 1.00 0.59 C ATOM 0 H LEU A 126 -2.112 5.854 -6.047 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.974 5.076 -8.667 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.350 7.166 -8.722 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.319 7.858 -7.485 1.00 0.32 H new ATOM 0 HG LEU A 126 0.618 7.740 -9.017 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.260 7.213 -11.399 1.00 0.44 H new ATOM 0 HD12 LEU A 126 -0.078 5.811 -10.357 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.422 6.756 -11.041 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.122 9.505 -10.569 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.817 9.131 -10.178 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.736 9.776 -8.921 1.00 0.59 H new ATOM 2018 N PRO A 127 1.148 4.663 -7.374 1.00 0.21 N ATOM 2019 CA PRO A 127 2.484 4.510 -6.842 1.00 0.29 C ATOM 2020 C PRO A 127 3.551 4.844 -7.882 1.00 0.25 C ATOM 2021 O PRO A 127 3.254 4.975 -9.069 1.00 0.38 O ATOM 2022 CB PRO A 127 2.514 3.022 -6.505 1.00 0.42 C ATOM 2023 CG PRO A 127 1.631 2.378 -7.534 1.00 0.43 C ATOM 2024 CD PRO A 127 0.761 3.467 -8.129 1.00 0.32 C ATOM 0 HA PRO A 127 2.693 5.171 -6.001 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.529 2.626 -6.551 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.145 2.837 -5.496 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.230 1.899 -8.309 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.016 1.601 -7.080 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.944 3.589 -9.197 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.299 3.243 -8.011 1.00 0.32 H new ATOM 2032 N LEU A 128 4.792 4.977 -7.437 1.00 0.22 N ATOM 2033 CA LEU A 128 5.889 5.279 -8.351 1.00 0.21 C ATOM 2034 C LEU A 128 6.198 4.061 -9.226 1.00 0.23 C ATOM 2035 O LEU A 128 6.195 2.926 -8.737 1.00 0.26 O ATOM 2036 CB LEU A 128 7.142 5.706 -7.580 1.00 0.23 C ATOM 2037 CG LEU A 128 8.171 6.496 -8.395 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.600 7.839 -8.819 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.446 6.696 -7.594 1.00 0.37 C ATOM 0 H LEU A 128 5.065 4.882 -6.459 1.00 0.22 H new ATOM 0 HA LEU A 128 5.582 6.107 -8.990 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.836 6.311 -6.727 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.625 4.814 -7.181 1.00 0.23 H new ATOM 0 HG LEU A 128 8.410 5.922 -9.291 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.346 8.385 -9.397 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.712 7.680 -9.431 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.332 8.416 -7.934 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.165 7.259 -8.189 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.220 7.247 -6.681 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.870 5.725 -7.336 1.00 0.37 H new ATOM 2051 N PRO A 129 6.481 4.286 -10.522 1.00 0.27 N ATOM 2052 CA PRO A 129 6.787 3.210 -11.486 1.00 0.33 C ATOM 2053 C PRO A 129 7.983 2.330 -11.087 1.00 0.33 C ATOM 2054 O PRO A 129 8.197 1.274 -11.682 1.00 0.67 O ATOM 2055 CB PRO A 129 7.100 3.969 -12.781 1.00 0.45 C ATOM 2056 CG PRO A 129 6.419 5.282 -12.629 1.00 0.47 C ATOM 2057 CD PRO A 129 6.496 5.613 -11.166 1.00 0.30 C ATOM 0 HA PRO A 129 5.954 2.510 -11.559 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.174 4.094 -12.916 1.00 0.45 H new ATOM 0 HB3 PRO A 129 6.730 3.431 -13.654 1.00 0.45 H new ATOM 0 HG2 PRO A 129 6.908 6.049 -13.230 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.383 5.227 -12.964 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.403 6.168 -10.925 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.653 6.226 -10.846 1.00 0.30 H new ATOM 2065 N VAL A 130 8.769 2.768 -10.104 1.00 0.37 N ATOM 2066 CA VAL A 130 9.926 1.995 -9.656 1.00 0.35 C ATOM 2067 C VAL A 130 9.493 0.663 -9.034 1.00 0.38 C ATOM 2068 O VAL A 130 9.265 0.568 -7.828 1.00 0.57 O ATOM 2069 CB VAL A 130 10.805 2.787 -8.651 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.516 3.939 -9.351 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.979 3.303 -7.478 1.00 0.44 C ATOM 0 H VAL A 130 8.627 3.647 -9.606 1.00 0.37 H new ATOM 0 HA VAL A 130 10.528 1.794 -10.542 1.00 0.35 H new ATOM 0 HB VAL A 130 11.556 2.103 -8.256 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.127 4.482 -8.630 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.153 3.546 -10.143 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.777 4.615 -9.782 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.624 3.853 -6.793 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.195 3.964 -7.848 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.526 2.461 -6.954 1.00 0.44 H new ATOM 2081 N SER A 131 9.362 -0.356 -9.873 1.00 0.34 N ATOM 2082 CA SER A 131 8.963 -1.682 -9.427 1.00 0.40 C ATOM 2083 C SER A 131 9.783 -2.753 -10.141 1.00 0.39 C ATOM 2084 O SER A 131 10.370 -2.499 -11.198 1.00 0.47 O ATOM 2085 CB SER A 131 7.473 -1.907 -9.706 1.00 0.50 C ATOM 2086 OG SER A 131 6.656 -1.177 -8.808 1.00 0.88 O ATOM 0 H SER A 131 9.529 -0.286 -10.877 1.00 0.34 H new ATOM 0 HA SER A 131 9.143 -1.753 -8.354 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.245 -1.609 -10.729 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.244 -2.970 -9.625 1.00 0.50 H new ATOM 0 HG SER A 131 5.728 -1.482 -8.888 1.00 0.88 H new ATOM 2092 N SER A 132 9.826 -3.950 -9.559 1.00 0.48 N ATOM 2093 CA SER A 132 10.552 -5.066 -10.153 1.00 0.54 C ATOM 2094 C SER A 132 9.706 -5.699 -11.255 1.00 0.49 C ATOM 2095 O SER A 132 9.242 -6.833 -11.126 1.00 0.96 O ATOM 2096 CB SER A 132 10.905 -6.114 -9.086 1.00 0.76 C ATOM 2097 OG SER A 132 11.688 -5.557 -8.037 1.00 1.03 O ATOM 0 H SER A 132 9.366 -4.170 -8.676 1.00 0.48 H new ATOM 0 HA SER A 132 11.481 -4.692 -10.582 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.988 -6.534 -8.672 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.451 -6.936 -9.550 1.00 0.76 H new ATOM 0 HG SER A 132 11.660 -4.579 -8.092 1.00 1.03 H new ATOM 2103 N ASP A 133 9.494 -4.942 -12.328 1.00 0.56 N ATOM 2104 CA ASP A 133 8.700 -5.413 -13.462 1.00 0.58 C ATOM 2105 C ASP A 133 9.262 -6.714 -14.010 1.00 0.63 C ATOM 2106 O ASP A 133 10.490 -6.783 -14.226 1.00 0.80 O ATOM 2107 CB ASP A 133 8.657 -4.360 -14.574 1.00 0.80 C ATOM 2108 CG ASP A 133 7.930 -4.861 -15.806 1.00 0.92 C ATOM 2109 OD1 ASP A 133 6.685 -4.783 -15.841 1.00 1.06 O ATOM 2110 OD2 ASP A 133 8.599 -5.329 -16.747 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.480 -7.664 -14.212 1.00 0.75 O ATOM 0 H ASP A 133 9.862 -3.997 -12.437 1.00 0.56 H new ATOM 0 HA ASP A 133 7.685 -5.589 -13.105 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.164 -3.462 -14.203 1.00 0.80 H new ATOM 0 HB3 ASP A 133 9.674 -4.077 -14.844 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.270 4.026 3.840 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.239 3.666 2.349 1.00 3.47 C HETATM 2119 C3 IHP A 134 -16.847 4.822 1.518 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.008 6.086 1.744 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.012 6.468 3.229 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.449 5.312 4.071 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.700 2.963 4.620 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.555 2.230 5.785 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.847 1.665 5.318 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.784 3.337 6.925 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.605 1.102 6.428 1.00 5.52 O HETATM 2128 O12 IHP A 134 -14.925 3.404 1.899 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.562 1.950 1.305 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.529 1.307 2.152 1.00 4.60 O HETATM 2131 O32 IHP A 134 -15.931 1.111 1.308 1.00 4.76 O HETATM 2132 O42 IHP A 134 -14.067 2.177 -0.198 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.820 4.493 0.132 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.177 4.455 -0.735 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.130 5.454 -0.197 1.00 5.53 O HETATM 2136 O33 IHP A 134 -18.735 2.953 -0.599 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.809 4.763 -2.268 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.558 7.178 1.002 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.671 7.934 -0.111 1.00 5.38 P HETATM 2140 O24 IHP A 134 -15.238 6.969 -1.149 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.427 8.543 0.710 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.544 9.133 -0.723 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.211 7.625 3.443 1.00 4.36 O HETATM 2144 P5 IHP A 134 -15.853 8.962 4.066 1.00 5.27 P HETATM 2145 O25 IHP A 134 -16.970 9.422 3.214 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.363 8.580 5.548 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.689 10.057 4.165 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.467 5.694 5.455 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.108 5.805 6.310 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.367 6.210 7.718 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.245 6.914 5.521 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.357 4.398 6.230 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.422 5.104 3.771 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.040 6.676 3.527 1.00 3.74 H new HETATM 0 H4 IHP A 134 -14.990 5.880 1.414 1.00 3.79 H new HETATM 0 H3 IHP A 134 -17.879 4.987 1.829 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.828 2.759 2.216 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.305 4.180 4.144 1.00 3.43 H new