USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 LYS NZ :NH3+ 136:sc= 1.81 (180deg=-0.98) USER MOD Set 1.2: A 131 SER OG : rot 75:sc= 1.16 USER MOD Set 2.1: A 116 THR OG1 : rot 171:sc= 1.21 USER MOD Set 2.2: A 121 LYS NZ :NH3+ 153:sc= 3.2 (180deg=1.21) USER MOD Set 3.1: A 11 ASN : amide:sc= 0.702 K(o=1.8,f=-13!) USER MOD Set 3.2: A 105 LYS NZ :NH3+ -172:sc= 1.12 (180deg=0) USER MOD Set 4.1: A 87 TYR OH : rot 180:sc= 0.11 USER MOD Set 4.2: A 89 THR OG1 : rot -72:sc= 1.43 USER MOD Set 5.1: A 85 ASN : amide:sc= -0.224 K(o=-2.3,f=-4.8) USER MOD Set 5.2: A 86 HIS : no HE2:sc= -2.12 K(o=-2.3,f=-3.4) USER MOD Set 6.1: A 60 MET CE :methyl -133:sc= -0.519 (180deg=-1.2) USER MOD Set 6.2: A 95 HIS : no HD1:sc= 0.156 K(o=-0.36,f=-7.6!) USER MOD Set 7.1: A 34 HIS : no HE2:sc= -0.072 K(o=0.83,f=-13!) USER MOD Set 7.2: A 52 THR OG1 : rot -30:sc= 0.905 USER MOD Set 8.1: A 33 GLN : amide:sc= 0.699 K(o=1.7,f=-4.2!) USER MOD Set 8.2: A 51 SER OG : rot 50:sc= 1.01 USER MOD Set 9.1: A 48 TYR OH : rot 57:sc= 1.32 USER MOD Set 9.2: A 57 TYR OH : rot -40:sc= 0.87 USER MOD Set10.1: A 40 SER OG : rot 69:sc= 2.14 USER MOD Set10.2: A 132 SER OG : rot 10:sc= -1.26! USER MOD Set11.1: A 38 GLN : amide:sc= -0.602! C(o=0.51!,f=-8.5!) USER MOD Set11.2: A 50 LYS NZ :NH3+ -179:sc= 1.11 (180deg=0.875) USER MOD Set12.1: A 8 TYR OH : rot 169:sc= 0.024 USER MOD Set12.2: A 14 HIS :FLIP no HD1:sc= 1.02 F(o=-0.24,f=1) USER MOD Single : A 1 TYR N :NH3+ -142:sc= 0.329 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= -0.0233 (180deg=-0.204) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0544) USER MOD Single : A 9 CYS SG : rot -160:sc= 0 USER MOD Single : A 10 SER OG : rot 92:sc= 1.1 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 27 THR OG1 : rot 28:sc= -0.218 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.311 K(o=0.31,f=-2.8!) USER MOD Single : A 43 SER OG : rot 132:sc= 0.0108 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.17! C(o=-1.2!,f=-5.6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 69 SER OG : rot -41:sc= 1.22 USER MOD Single : A 70 GLN : amide:sc= -0.215 K(o=-0.22,f=-3.3!) USER MOD Single : A 71 THR OG1 : rot -3:sc= 1.13 USER MOD Single : A 73 ASN : amide:sc= -2.26! C(o=-2.3!,f=-9.8!) USER MOD Single : A 76 CYS SG : rot 57:sc= -0.185 USER MOD Single : A 88 ASN : amide:sc= -2.17 K(o=-2.2,f=-7!) USER MOD Single : A 90 TYR OH : rot 13:sc= 1.22 USER MOD Single : A 92 SER OG : rot -132:sc= 1.29 USER MOD Single : A 93 LYS NZ :NH3+ -115:sc= 1.12 (180deg=-1.18!) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= 2.11 (180deg=2) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.467 K(o=-0.47,f=-1.9) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 110 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.04) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.001 -1.654 -9.378 1.00 0.54 N ATOM 2 CA TYR A 1 14.683 -2.071 -8.844 1.00 0.51 C ATOM 3 C TYR A 1 14.301 -1.272 -7.591 1.00 0.43 C ATOM 4 O TYR A 1 13.154 -0.852 -7.453 1.00 0.59 O ATOM 5 CB TYR A 1 14.669 -3.581 -8.547 1.00 0.57 C ATOM 6 CG TYR A 1 15.660 -4.024 -7.489 1.00 0.55 C ATOM 7 CD1 TYR A 1 15.322 -4.005 -6.141 1.00 0.53 C ATOM 8 CD2 TYR A 1 16.932 -4.464 -7.839 1.00 0.77 C ATOM 9 CE1 TYR A 1 16.221 -4.411 -5.175 1.00 0.65 C ATOM 10 CE2 TYR A 1 17.836 -4.871 -6.877 1.00 0.93 C ATOM 11 CZ TYR A 1 17.475 -4.841 -5.548 1.00 0.85 C ATOM 12 OH TYR A 1 18.371 -5.245 -4.585 1.00 1.08 O ATOM 0 H1 TYR A 1 15.973 -1.662 -10.418 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.222 -0.694 -9.045 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.734 -2.313 -9.047 1.00 0.54 H new ATOM 0 HA TYR A 1 13.938 -1.860 -9.611 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.666 -3.866 -8.229 1.00 0.57 H new ATOM 0 HB3 TYR A 1 14.877 -4.122 -9.470 1.00 0.57 H new ATOM 0 HD1 TYR A 1 14.340 -3.667 -5.844 1.00 0.53 H new ATOM 0 HD2 TYR A 1 17.218 -4.488 -8.880 1.00 0.77 H new ATOM 0 HE1 TYR A 1 15.942 -4.391 -4.132 1.00 0.65 H new ATOM 0 HE2 TYR A 1 18.820 -5.211 -7.165 1.00 0.93 H new ATOM 0 HH TYR A 1 19.209 -5.520 -5.012 1.00 1.08 H new ATOM 24 N LYS A 2 15.255 -1.042 -6.683 1.00 0.35 N ATOM 25 CA LYS A 2 14.959 -0.300 -5.458 1.00 0.39 C ATOM 26 C LYS A 2 15.207 1.198 -5.644 1.00 0.34 C ATOM 27 O LYS A 2 16.284 1.616 -6.072 1.00 0.48 O ATOM 28 CB LYS A 2 15.764 -0.848 -4.262 1.00 0.54 C ATOM 29 CG LYS A 2 17.238 -0.458 -4.233 1.00 0.73 C ATOM 30 CD LYS A 2 18.095 -1.390 -5.075 1.00 1.05 C ATOM 31 CE LYS A 2 19.575 -1.239 -4.748 1.00 1.15 C ATOM 32 NZ LYS A 2 19.914 -1.774 -3.402 1.00 1.40 N ATOM 0 H LYS A 2 16.222 -1.354 -6.772 1.00 0.35 H new ATOM 0 HA LYS A 2 13.900 -0.439 -5.239 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.296 -0.501 -3.341 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.693 -1.936 -4.266 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.349 0.563 -4.597 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.595 -0.470 -3.203 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.787 -2.422 -4.904 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.932 -1.180 -6.132 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.166 -1.758 -5.502 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.850 -0.185 -4.797 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.942 -1.917 -3.334 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.610 -1.098 -2.673 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.428 -2.682 -3.257 1.00 1.40 H new ATOM 46 N LYS A 3 14.189 1.995 -5.339 1.00 0.28 N ATOM 47 CA LYS A 3 14.261 3.448 -5.453 1.00 0.26 C ATOM 48 C LYS A 3 13.199 4.083 -4.561 1.00 0.26 C ATOM 49 O LYS A 3 12.285 3.393 -4.102 1.00 0.29 O ATOM 50 CB LYS A 3 14.051 3.893 -6.906 1.00 0.30 C ATOM 51 CG LYS A 3 15.287 3.755 -7.785 1.00 0.49 C ATOM 52 CD LYS A 3 15.094 4.451 -9.124 1.00 0.55 C ATOM 53 CE LYS A 3 16.272 4.214 -10.056 1.00 0.78 C ATOM 54 NZ LYS A 3 16.313 2.814 -10.553 1.00 1.18 N ATOM 0 H LYS A 3 13.289 1.652 -5.005 1.00 0.28 H new ATOM 0 HA LYS A 3 15.251 3.773 -5.134 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.242 3.306 -7.341 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.728 4.934 -6.913 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.150 4.181 -7.272 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.503 2.699 -7.949 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.180 4.089 -9.594 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.967 5.522 -8.963 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.208 4.898 -10.902 1.00 0.78 H new ATOM 0 HE3 LYS A 3 17.201 4.441 -9.532 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 17.022 2.735 -11.310 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 16.568 2.176 -9.772 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 15.378 2.550 -10.925 1.00 1.18 H new ATOM 68 N PRO A 4 13.301 5.397 -4.300 1.00 0.28 N ATOM 69 CA PRO A 4 12.336 6.107 -3.460 1.00 0.30 C ATOM 70 C PRO A 4 10.938 6.077 -4.076 1.00 0.27 C ATOM 71 O PRO A 4 10.630 6.858 -4.977 1.00 0.35 O ATOM 72 CB PRO A 4 12.876 7.546 -3.405 1.00 0.35 C ATOM 73 CG PRO A 4 14.294 7.455 -3.858 1.00 0.43 C ATOM 74 CD PRO A 4 14.355 6.290 -4.802 1.00 0.37 C ATOM 0 HA PRO A 4 12.236 5.655 -2.473 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.299 8.207 -4.051 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.811 7.951 -2.395 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.605 8.375 -4.353 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.965 7.307 -3.012 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.168 6.595 -5.831 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.333 5.809 -4.785 1.00 0.37 H new ATOM 82 N LYS A 5 10.120 5.137 -3.618 1.00 0.24 N ATOM 83 CA LYS A 5 8.754 4.990 -4.109 1.00 0.22 C ATOM 84 C LYS A 5 7.768 5.650 -3.142 1.00 0.25 C ATOM 85 O LYS A 5 8.124 5.979 -2.012 1.00 0.48 O ATOM 86 CB LYS A 5 8.422 3.498 -4.276 1.00 0.24 C ATOM 87 CG LYS A 5 7.161 3.221 -5.084 1.00 0.24 C ATOM 88 CD LYS A 5 7.028 1.741 -5.418 1.00 0.34 C ATOM 89 CE LYS A 5 5.804 1.466 -6.285 1.00 0.35 C ATOM 90 NZ LYS A 5 5.934 0.201 -7.063 1.00 0.40 N ATOM 0 H LYS A 5 10.381 4.460 -2.901 1.00 0.24 H new ATOM 0 HA LYS A 5 8.668 5.484 -5.077 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.264 3.003 -4.759 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.312 3.050 -3.288 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.287 3.548 -4.521 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.183 3.803 -6.005 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.925 1.403 -5.937 1.00 0.34 H new ATOM 0 HD3 LYS A 5 6.957 1.165 -4.496 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.918 1.411 -5.652 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.654 2.299 -6.972 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 5.041 -0.330 -7.014 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.149 0.424 -8.056 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.702 -0.375 -6.663 1.00 0.40 H new ATOM 104 N LEU A 6 6.537 5.854 -3.596 1.00 0.22 N ATOM 105 CA LEU A 6 5.502 6.453 -2.764 1.00 0.23 C ATOM 106 C LEU A 6 4.146 5.834 -3.104 1.00 0.22 C ATOM 107 O LEU A 6 3.928 5.388 -4.235 1.00 0.25 O ATOM 108 CB LEU A 6 5.472 7.982 -2.934 1.00 0.27 C ATOM 109 CG LEU A 6 4.627 8.514 -4.097 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.504 10.028 -4.012 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.227 8.108 -5.434 1.00 0.50 C ATOM 0 H LEU A 6 6.231 5.612 -4.539 1.00 0.22 H new ATOM 0 HA LEU A 6 5.729 6.247 -1.718 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.100 8.423 -2.009 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.496 8.333 -3.065 1.00 0.27 H new ATOM 0 HG LEU A 6 3.632 8.076 -4.023 1.00 0.32 H new ATOM 0 HD11 LEU A 6 3.901 10.391 -4.844 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.026 10.302 -3.071 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.496 10.477 -4.059 1.00 0.45 H new ATOM 0 HD21 LEU A 6 4.609 8.497 -6.243 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.235 8.514 -5.519 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.268 7.021 -5.499 1.00 0.50 H new ATOM 123 N LEU A 7 3.249 5.799 -2.123 1.00 0.24 N ATOM 124 CA LEU A 7 1.920 5.228 -2.311 1.00 0.26 C ATOM 125 C LEU A 7 0.860 6.328 -2.296 1.00 0.22 C ATOM 126 O LEU A 7 0.294 6.650 -1.249 1.00 0.24 O ATOM 127 CB LEU A 7 1.635 4.193 -1.217 1.00 0.32 C ATOM 128 CG LEU A 7 0.258 3.528 -1.290 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.149 2.636 -2.521 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.012 2.731 -0.023 1.00 0.46 C ATOM 0 H LEU A 7 3.420 6.162 -1.185 1.00 0.24 H new ATOM 0 HA LEU A 7 1.884 4.732 -3.281 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.398 3.417 -1.266 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.735 4.678 -0.246 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.496 4.310 -1.375 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.838 2.175 -2.550 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.296 3.236 -3.419 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.911 1.858 -2.475 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -0.995 2.264 -0.089 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.750 1.960 0.091 1.00 0.46 H new ATOM 0 HD23 LEU A 7 0.015 3.398 0.839 1.00 0.46 H new ATOM 142 N TYR A 8 0.597 6.903 -3.463 1.00 0.22 N ATOM 143 CA TYR A 8 -0.377 7.977 -3.580 1.00 0.21 C ATOM 144 C TYR A 8 -1.795 7.420 -3.705 1.00 0.21 C ATOM 145 O TYR A 8 -2.088 6.630 -4.608 1.00 0.29 O ATOM 146 CB TYR A 8 -0.049 8.857 -4.789 1.00 0.24 C ATOM 147 CG TYR A 8 -0.428 10.306 -4.605 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.729 10.739 -4.832 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.516 11.242 -4.199 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.078 12.062 -4.662 1.00 0.46 C ATOM 151 CE2 TYR A 8 0.174 12.568 -4.026 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.123 12.973 -4.259 1.00 0.50 C ATOM 153 OH TYR A 8 -1.473 14.291 -4.081 1.00 0.63 O ATOM 0 H TYR A 8 1.046 6.642 -4.341 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.327 8.581 -2.674 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.020 8.793 -4.994 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.566 8.464 -5.664 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.479 10.028 -5.147 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.533 10.927 -4.016 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.093 12.384 -4.843 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.918 13.284 -3.710 1.00 0.56 H new ATOM 0 HH TYR A 8 -0.740 14.767 -3.638 1.00 0.63 H new ATOM 163 N CYS A 9 -2.666 7.826 -2.787 1.00 0.23 N ATOM 164 CA CYS A 9 -4.056 7.391 -2.796 1.00 0.27 C ATOM 165 C CYS A 9 -4.942 8.492 -3.376 1.00 0.28 C ATOM 166 O CYS A 9 -5.031 9.592 -2.824 1.00 0.30 O ATOM 167 CB CYS A 9 -4.513 7.023 -1.379 1.00 0.30 C ATOM 168 SG CYS A 9 -3.585 5.655 -0.640 1.00 0.37 S ATOM 0 H CYS A 9 -2.431 8.460 -2.023 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.143 6.503 -3.423 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.420 7.900 -0.739 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.570 6.759 -1.406 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.274 5.140 0.334 1.00 0.37 H new ATOM 174 N SER A 10 -5.576 8.195 -4.503 1.00 0.37 N ATOM 175 CA SER A 10 -6.444 9.151 -5.179 1.00 0.42 C ATOM 176 C SER A 10 -7.719 9.427 -4.369 1.00 0.39 C ATOM 177 O SER A 10 -8.818 9.038 -4.769 1.00 0.51 O ATOM 178 CB SER A 10 -6.800 8.620 -6.572 1.00 0.56 C ATOM 179 OG SER A 10 -5.711 7.901 -7.130 1.00 1.23 O ATOM 0 H SER A 10 -5.504 7.292 -4.972 1.00 0.37 H new ATOM 0 HA SER A 10 -5.908 10.095 -5.274 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.674 7.972 -6.507 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.067 9.450 -7.226 1.00 0.56 H new ATOM 0 HG SER A 10 -5.798 6.951 -6.908 1.00 1.23 H new ATOM 185 N ASN A 11 -7.568 10.093 -3.226 1.00 0.33 N ATOM 186 CA ASN A 11 -8.716 10.420 -2.379 1.00 0.36 C ATOM 187 C ASN A 11 -8.693 11.890 -1.950 1.00 0.35 C ATOM 188 O ASN A 11 -9.250 12.250 -0.910 1.00 0.47 O ATOM 189 CB ASN A 11 -8.753 9.509 -1.143 1.00 0.44 C ATOM 190 CG ASN A 11 -10.123 9.490 -0.480 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.268 9.825 0.702 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.142 9.086 -1.229 1.00 0.75 N ATOM 0 H ASN A 11 -6.670 10.415 -2.866 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.618 10.253 -2.968 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.478 8.495 -1.434 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.008 9.847 -0.423 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.081 9.045 -0.833 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.986 8.817 -2.200 1.00 0.75 H new ATOM 199 N GLY A 12 -8.073 12.743 -2.764 1.00 0.38 N ATOM 200 CA GLY A 12 -8.000 14.159 -2.445 1.00 0.45 C ATOM 201 C GLY A 12 -6.958 14.464 -1.387 1.00 0.46 C ATOM 202 O GLY A 12 -7.219 14.315 -0.192 1.00 0.87 O ATOM 0 H GLY A 12 -7.620 12.478 -3.639 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.769 14.720 -3.350 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.975 14.501 -2.099 1.00 0.45 H new ATOM 206 N GLY A 13 -5.782 14.893 -1.827 1.00 0.38 N ATOM 207 CA GLY A 13 -4.711 15.216 -0.906 1.00 0.36 C ATOM 208 C GLY A 13 -3.417 14.510 -1.265 1.00 0.31 C ATOM 209 O GLY A 13 -3.239 14.076 -2.404 1.00 0.40 O ATOM 0 H GLY A 13 -5.551 15.023 -2.812 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.547 16.294 -0.905 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -5.007 14.937 0.105 1.00 0.36 H new ATOM 213 N HIS A 14 -2.511 14.398 -0.298 1.00 0.26 N ATOM 214 CA HIS A 14 -1.226 13.734 -0.513 1.00 0.24 C ATOM 215 C HIS A 14 -1.080 12.580 0.473 1.00 0.22 C ATOM 216 O HIS A 14 -1.457 12.711 1.638 1.00 0.30 O ATOM 217 CB HIS A 14 -0.067 14.727 -0.347 1.00 0.28 C ATOM 218 CG HIS A 14 -0.050 15.815 -1.379 1.00 0.38 C ATOM 219 ND1 HIS A 14 0.472 15.842 -2.631 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.622 17.053 -1.181 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.204 17.080 -3.157 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.458 17.790 -2.265 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.643 14.760 0.647 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.194 13.346 -1.531 1.00 0.24 H new ATOM 0 HB2 HIS A 14 -0.127 15.179 0.643 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.876 14.182 -0.392 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.126 17.371 -0.280 1.00 0.53 H new ATOM 0 HE1 HIS A 14 0.489 17.418 -4.142 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.788 18.747 -2.391 1.00 0.66 H new ATOM 231 N PHE A 15 -0.537 11.456 0.016 1.00 0.20 N ATOM 232 CA PHE A 15 -0.380 10.284 0.874 1.00 0.21 C ATOM 233 C PHE A 15 1.015 9.681 0.753 1.00 0.21 C ATOM 234 O PHE A 15 1.489 9.432 -0.356 1.00 0.23 O ATOM 235 CB PHE A 15 -1.420 9.216 0.515 1.00 0.27 C ATOM 236 CG PHE A 15 -2.849 9.663 0.664 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.402 10.580 -0.217 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.641 9.161 1.684 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.715 10.989 -0.083 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.957 9.564 1.823 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.494 10.479 0.938 1.00 0.45 C ATOM 0 H PHE A 15 -0.199 11.331 -0.938 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.528 10.615 1.902 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.257 8.900 -0.515 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.258 8.342 1.146 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.798 10.980 -1.018 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.226 8.446 2.379 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.132 11.706 -0.775 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.564 9.164 2.622 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.521 10.795 1.044 1.00 0.45 H new ATOM 251 N LEU A 16 1.664 9.461 1.900 1.00 0.20 N ATOM 252 CA LEU A 16 3.002 8.859 1.936 1.00 0.22 C ATOM 253 C LEU A 16 3.613 8.907 3.346 1.00 0.23 C ATOM 254 O LEU A 16 4.820 9.094 3.500 1.00 0.33 O ATOM 255 CB LEU A 16 3.945 9.537 0.922 1.00 0.23 C ATOM 256 CG LEU A 16 3.908 11.069 0.888 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.618 11.653 2.098 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.536 11.582 -0.401 1.00 0.45 C ATOM 0 H LEU A 16 1.284 9.691 2.818 1.00 0.20 H new ATOM 0 HA LEU A 16 2.886 7.812 1.657 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.966 9.223 1.140 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.703 9.166 -0.074 1.00 0.23 H new ATOM 0 HG LEU A 16 2.867 11.390 0.920 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.579 12.741 2.052 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.127 11.310 3.009 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.658 11.327 2.102 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.504 12.671 -0.413 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.572 11.249 -0.458 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.982 11.193 -1.255 1.00 0.45 H new ATOM 270 N ARG A 17 2.793 8.708 4.381 1.00 0.24 N ATOM 271 CA ARG A 17 3.292 8.739 5.752 1.00 0.26 C ATOM 272 C ARG A 17 2.872 7.490 6.518 1.00 0.22 C ATOM 273 O ARG A 17 1.708 7.090 6.485 1.00 0.29 O ATOM 274 CB ARG A 17 2.808 9.993 6.490 1.00 0.34 C ATOM 275 CG ARG A 17 3.265 10.047 7.943 1.00 0.47 C ATOM 276 CD ARG A 17 3.024 11.411 8.571 1.00 0.53 C ATOM 277 NE ARG A 17 1.607 11.657 8.845 1.00 0.54 N ATOM 278 CZ ARG A 17 1.147 12.709 9.525 1.00 0.72 C ATOM 279 NH1 ARG A 17 1.992 13.620 10.007 1.00 0.85 N ATOM 280 NH2 ARG A 17 -0.161 12.857 9.715 1.00 0.86 N ATOM 0 H ARG A 17 1.793 8.526 4.295 1.00 0.24 H new ATOM 0 HA ARG A 17 4.380 8.766 5.700 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.173 10.878 5.968 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.719 10.029 6.457 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.736 9.286 8.517 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.327 9.806 7.997 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.589 11.485 9.500 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.402 12.187 7.905 1.00 0.53 H new ATOM 0 HE ARG A 17 0.928 10.981 8.494 1.00 0.54 H new ATOM 0 HH11 ARG A 17 2.995 13.515 9.857 1.00 0.85 H new ATOM 0 HH12 ARG A 17 1.635 14.422 10.526 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.812 12.167 9.341 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -0.513 13.661 10.235 1.00 0.86 H new ATOM 294 N ILE A 18 3.837 6.882 7.196 1.00 0.21 N ATOM 295 CA ILE A 18 3.598 5.688 7.992 1.00 0.20 C ATOM 296 C ILE A 18 4.118 5.909 9.409 1.00 0.20 C ATOM 297 O ILE A 18 5.259 6.341 9.601 1.00 0.26 O ATOM 298 CB ILE A 18 4.276 4.439 7.373 1.00 0.26 C ATOM 299 CG1 ILE A 18 4.049 3.203 8.251 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.764 4.676 7.162 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.636 2.662 8.183 1.00 0.33 C ATOM 0 H ILE A 18 4.805 7.203 7.209 1.00 0.21 H new ATOM 0 HA ILE A 18 2.524 5.506 8.012 1.00 0.20 H new ATOM 0 HB ILE A 18 3.818 4.258 6.401 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.744 2.420 7.948 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.283 3.454 9.285 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.216 3.785 6.727 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.906 5.521 6.488 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.237 4.892 8.120 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.549 1.788 8.829 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.936 3.429 8.515 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.404 2.379 7.156 1.00 0.33 H new ATOM 313 N LEU A 19 3.272 5.637 10.392 1.00 0.21 N ATOM 314 CA LEU A 19 3.639 5.812 11.789 1.00 0.24 C ATOM 315 C LEU A 19 4.090 4.485 12.389 1.00 0.23 C ATOM 316 O LEU A 19 3.390 3.472 12.257 1.00 0.22 O ATOM 317 CB LEU A 19 2.457 6.380 12.592 1.00 0.30 C ATOM 318 CG LEU A 19 2.064 7.830 12.268 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.258 8.761 12.425 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.483 7.937 10.862 1.00 0.48 C ATOM 0 H LEU A 19 2.323 5.293 10.246 1.00 0.21 H new ATOM 0 HA LEU A 19 4.466 6.520 11.840 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.589 5.742 12.425 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.699 6.317 13.653 1.00 0.30 H new ATOM 0 HG LEU A 19 1.295 8.135 12.977 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.957 9.782 12.191 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.621 8.717 13.452 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.052 8.452 11.745 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.213 8.973 10.658 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.225 7.605 10.136 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.595 7.309 10.786 1.00 0.48 H new ATOM 332 N PRO A 20 5.260 4.472 13.061 1.00 0.29 N ATOM 333 CA PRO A 20 5.822 3.269 13.688 1.00 0.33 C ATOM 334 C PRO A 20 4.781 2.484 14.483 1.00 0.30 C ATOM 335 O PRO A 20 4.828 1.250 14.543 1.00 0.36 O ATOM 336 CB PRO A 20 6.920 3.809 14.622 1.00 0.41 C ATOM 337 CG PRO A 20 6.822 5.301 14.559 1.00 0.55 C ATOM 338 CD PRO A 20 6.132 5.632 13.270 1.00 0.38 C ATOM 0 HA PRO A 20 6.197 2.569 12.941 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.775 3.452 15.641 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.905 3.469 14.302 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.261 5.688 15.409 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.812 5.756 14.596 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.562 6.558 13.343 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.841 5.757 12.452 1.00 0.38 H new ATOM 346 N ASP A 21 3.837 3.207 15.083 1.00 0.27 N ATOM 347 CA ASP A 21 2.767 2.590 15.866 1.00 0.30 C ATOM 348 C ASP A 21 1.987 1.569 15.037 1.00 0.29 C ATOM 349 O ASP A 21 1.328 0.688 15.596 1.00 0.41 O ATOM 350 CB ASP A 21 1.800 3.652 16.405 1.00 0.36 C ATOM 351 CG ASP A 21 2.095 4.045 17.839 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.120 3.158 18.717 1.00 0.96 O ATOM 353 OD2 ASP A 21 2.300 5.249 18.095 1.00 0.95 O ATOM 0 H ASP A 21 3.791 4.225 15.042 1.00 0.27 H new ATOM 0 HA ASP A 21 3.238 2.075 16.703 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.852 4.538 15.773 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.780 3.274 16.340 1.00 0.36 H new ATOM 358 N GLY A 22 2.047 1.700 13.711 1.00 0.24 N ATOM 359 CA GLY A 22 1.349 0.779 12.836 1.00 0.27 C ATOM 360 C GLY A 22 0.166 1.428 12.148 1.00 0.27 C ATOM 361 O GLY A 22 -0.953 0.923 12.217 1.00 0.35 O ATOM 0 H GLY A 22 2.570 2.432 13.230 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.041 0.400 12.084 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.005 -0.079 13.414 1.00 0.27 H new ATOM 365 N THR A 23 0.402 2.563 11.495 1.00 0.24 N ATOM 366 CA THR A 23 -0.664 3.269 10.796 1.00 0.27 C ATOM 367 C THR A 23 -0.102 4.163 9.698 1.00 0.22 C ATOM 368 O THR A 23 0.933 4.810 9.881 1.00 0.25 O ATOM 369 CB THR A 23 -1.498 4.128 11.769 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.805 3.377 12.954 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.792 4.591 11.109 1.00 0.43 C ATOM 0 H THR A 23 1.317 3.010 11.436 1.00 0.24 H new ATOM 0 HA THR A 23 -1.307 2.512 10.348 1.00 0.27 H new ATOM 0 HB THR A 23 -0.909 5.004 12.038 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.333 3.932 13.565 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.364 5.195 11.813 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.558 5.187 10.227 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.381 3.723 10.814 1.00 0.43 H new ATOM 379 N VAL A 24 -0.781 4.176 8.560 1.00 0.25 N ATOM 380 CA VAL A 24 -0.381 4.992 7.419 1.00 0.24 C ATOM 381 C VAL A 24 -1.458 6.037 7.139 1.00 0.28 C ATOM 382 O VAL A 24 -2.655 5.739 7.240 1.00 0.37 O ATOM 383 CB VAL A 24 -0.143 4.123 6.157 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.400 3.351 5.775 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.345 4.975 4.990 1.00 0.32 C ATOM 0 H VAL A 24 -1.623 3.623 8.400 1.00 0.25 H new ATOM 0 HA VAL A 24 0.559 5.487 7.664 1.00 0.24 H new ATOM 0 HB VAL A 24 0.636 3.399 6.396 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.203 2.751 4.887 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.690 2.697 6.598 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.208 4.052 5.567 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.504 4.341 4.118 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.402 5.733 4.756 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.282 5.461 5.261 1.00 0.32 H new ATOM 395 N ASP A 25 -1.044 7.255 6.807 1.00 0.28 N ATOM 396 CA ASP A 25 -1.998 8.327 6.536 1.00 0.35 C ATOM 397 C ASP A 25 -1.469 9.310 5.486 1.00 0.27 C ATOM 398 O ASP A 25 -0.413 9.089 4.878 1.00 0.26 O ATOM 399 CB ASP A 25 -2.356 9.062 7.837 1.00 0.50 C ATOM 400 CG ASP A 25 -1.368 10.152 8.216 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.144 9.929 8.104 1.00 1.19 O ATOM 402 OD2 ASP A 25 -1.819 11.234 8.653 1.00 1.28 O ATOM 0 H ASP A 25 -0.064 7.524 6.719 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.900 7.872 6.127 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.347 9.503 7.733 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.413 8.337 8.649 1.00 0.50 H new ATOM 407 N GLY A 26 -2.217 10.392 5.273 1.00 0.27 N ATOM 408 CA GLY A 26 -1.838 11.389 4.292 1.00 0.26 C ATOM 409 C GLY A 26 -0.638 12.211 4.719 1.00 0.32 C ATOM 410 O GLY A 26 -0.400 12.401 5.911 1.00 0.72 O ATOM 0 H GLY A 26 -3.085 10.594 5.769 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.615 10.895 3.346 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.683 12.054 4.113 1.00 0.26 H new ATOM 414 N THR A 27 0.102 12.713 3.738 1.00 0.25 N ATOM 415 CA THR A 27 1.295 13.523 3.969 1.00 0.23 C ATOM 416 C THR A 27 1.912 13.912 2.625 1.00 0.23 C ATOM 417 O THR A 27 1.679 13.239 1.619 1.00 0.26 O ATOM 418 CB THR A 27 2.342 12.774 4.838 1.00 0.30 C ATOM 419 OG1 THR A 27 1.959 12.818 6.219 1.00 0.60 O ATOM 420 CG2 THR A 27 3.735 13.373 4.690 1.00 0.65 C ATOM 0 H THR A 27 -0.110 12.569 2.751 1.00 0.25 H new ATOM 0 HA THR A 27 0.997 14.418 4.515 1.00 0.23 H new ATOM 0 HB THR A 27 2.373 11.742 4.489 1.00 0.30 H new ATOM 0 HG1 THR A 27 0.984 12.890 6.286 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.437 12.820 5.314 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.049 13.311 3.648 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.717 14.417 5.002 1.00 0.65 H new ATOM 428 N ARG A 28 2.671 15.004 2.604 1.00 0.26 N ATOM 429 CA ARG A 28 3.310 15.466 1.376 1.00 0.29 C ATOM 430 C ARG A 28 4.826 15.346 1.486 1.00 0.29 C ATOM 431 O ARG A 28 5.400 15.585 2.551 1.00 0.39 O ATOM 432 CB ARG A 28 2.911 16.917 1.079 1.00 0.36 C ATOM 433 CG ARG A 28 3.686 17.949 1.885 1.00 0.44 C ATOM 434 CD ARG A 28 2.904 19.242 2.038 1.00 0.57 C ATOM 435 NE ARG A 28 1.728 19.065 2.889 1.00 0.66 N ATOM 436 CZ ARG A 28 1.756 19.099 4.225 1.00 0.85 C ATOM 437 NH1 ARG A 28 2.903 19.317 4.867 1.00 1.04 N ATOM 438 NH2 ARG A 28 0.634 18.916 4.918 1.00 1.12 N ATOM 0 H ARG A 28 2.858 15.584 3.422 1.00 0.26 H new ATOM 0 HA ARG A 28 2.971 14.837 0.553 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.060 17.114 0.017 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.847 17.039 1.280 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.916 17.544 2.870 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.638 18.155 1.395 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.550 20.010 2.465 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.592 19.597 1.056 1.00 0.57 H new ATOM 0 HE ARG A 28 0.829 18.905 2.434 1.00 0.66 H new ATOM 0 HH11 ARG A 28 3.764 19.459 4.339 1.00 1.04 H new ATOM 0 HH12 ARG A 28 2.920 19.342 5.887 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.246 18.750 4.429 1.00 1.12 H new ATOM 0 HH22 ARG A 28 0.654 18.942 5.937 1.00 1.12 H new ATOM 452 N ASP A 29 5.466 14.973 0.383 1.00 0.27 N ATOM 453 CA ASP A 29 6.916 14.829 0.338 1.00 0.29 C ATOM 454 C ASP A 29 7.388 14.808 -1.114 1.00 0.30 C ATOM 455 O ASP A 29 6.572 14.895 -2.038 1.00 0.37 O ATOM 456 CB ASP A 29 7.365 13.556 1.065 1.00 0.31 C ATOM 457 CG ASP A 29 8.736 13.714 1.695 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.738 13.744 0.950 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.821 13.815 2.937 1.00 0.53 O ATOM 0 H ASP A 29 4.998 14.763 -0.499 1.00 0.27 H new ATOM 0 HA ASP A 29 7.365 15.681 0.848 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.638 13.304 1.837 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.383 12.724 0.361 1.00 0.31 H new ATOM 464 N ARG A 30 8.692 14.688 -1.320 1.00 0.35 N ATOM 465 CA ARG A 30 9.251 14.668 -2.663 1.00 0.39 C ATOM 466 C ARG A 30 9.497 13.234 -3.118 1.00 0.37 C ATOM 467 O ARG A 30 10.604 12.713 -2.977 1.00 0.41 O ATOM 468 CB ARG A 30 10.549 15.486 -2.719 1.00 0.48 C ATOM 469 CG ARG A 30 11.149 15.581 -4.113 1.00 0.53 C ATOM 470 CD ARG A 30 10.189 16.244 -5.089 1.00 0.62 C ATOM 471 NE ARG A 30 10.677 16.182 -6.469 1.00 0.72 N ATOM 472 CZ ARG A 30 9.897 16.262 -7.552 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.579 16.406 -7.421 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.437 16.186 -8.767 1.00 1.02 N ATOM 0 H ARG A 30 9.382 14.603 -0.574 1.00 0.35 H new ATOM 0 HA ARG A 30 8.531 15.124 -3.343 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.351 16.492 -2.348 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.281 15.037 -2.047 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.078 16.149 -4.072 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.401 14.583 -4.471 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.216 15.757 -5.027 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.043 17.286 -4.803 1.00 0.62 H new ATOM 0 HE ARG A 30 11.681 16.070 -6.613 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.161 16.456 -6.492 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.988 16.467 -8.250 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.445 16.067 -8.871 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.843 16.247 -9.594 1.00 1.02 H new ATOM 488 N SER A 31 8.456 12.600 -3.658 1.00 0.44 N ATOM 489 CA SER A 31 8.560 11.223 -4.130 1.00 0.51 C ATOM 490 C SER A 31 9.230 10.360 -3.062 1.00 0.51 C ATOM 491 O SER A 31 10.267 9.736 -3.301 1.00 0.86 O ATOM 492 CB SER A 31 9.351 11.178 -5.439 1.00 0.65 C ATOM 493 OG SER A 31 8.907 12.187 -6.335 1.00 0.74 O ATOM 0 H SER A 31 7.534 13.019 -3.778 1.00 0.44 H new ATOM 0 HA SER A 31 7.562 10.829 -4.319 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.413 11.312 -5.232 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.238 10.198 -5.903 1.00 0.65 H new ATOM 0 HG SER A 31 9.428 12.141 -7.164 1.00 0.74 H new ATOM 499 N ASP A 32 8.628 10.340 -1.880 1.00 0.47 N ATOM 500 CA ASP A 32 9.175 9.589 -0.764 1.00 0.47 C ATOM 501 C ASP A 32 8.059 9.089 0.156 1.00 0.49 C ATOM 502 O ASP A 32 6.900 9.013 -0.255 1.00 1.05 O ATOM 503 CB ASP A 32 10.153 10.483 0.005 1.00 0.57 C ATOM 504 CG ASP A 32 11.218 9.692 0.727 1.00 0.73 C ATOM 505 OD1 ASP A 32 10.968 9.274 1.877 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.308 9.497 0.154 1.00 0.83 O ATOM 0 H ASP A 32 7.761 10.836 -1.672 1.00 0.47 H new ATOM 0 HA ASP A 32 9.704 8.714 -1.142 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.628 11.176 -0.689 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.600 11.084 0.727 1.00 0.57 H new ATOM 511 N GLN A 33 8.409 8.754 1.394 1.00 0.35 N ATOM 512 CA GLN A 33 7.449 8.259 2.363 1.00 0.34 C ATOM 513 C GLN A 33 7.908 8.673 3.769 1.00 0.35 C ATOM 514 O GLN A 33 8.191 9.847 4.003 1.00 0.54 O ATOM 515 CB GLN A 33 7.338 6.735 2.221 1.00 0.45 C ATOM 516 CG GLN A 33 6.085 6.132 2.839 1.00 0.53 C ATOM 517 CD GLN A 33 6.348 4.774 3.463 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.405 4.545 4.058 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.398 3.861 3.320 1.00 0.82 N ATOM 0 H GLN A 33 9.363 8.819 1.749 1.00 0.35 H new ATOM 0 HA GLN A 33 6.460 8.685 2.190 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.365 6.479 1.162 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.212 6.275 2.682 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.695 6.809 3.599 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.315 6.035 2.073 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.539 4.092 2.821 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.526 2.927 3.709 1.00 0.82 H new ATOM 528 N HIS A 34 7.996 7.725 4.705 1.00 0.34 N ATOM 529 CA HIS A 34 8.448 8.035 6.059 1.00 0.39 C ATOM 530 C HIS A 34 9.947 8.354 6.059 1.00 0.37 C ATOM 531 O HIS A 34 10.414 9.166 6.856 1.00 0.50 O ATOM 532 CB HIS A 34 8.144 6.864 7.006 1.00 0.48 C ATOM 533 CG HIS A 34 8.971 6.854 8.260 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.828 5.824 8.585 1.00 0.86 N ATOM 535 CD2 HIS A 34 9.068 7.751 9.273 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.413 6.087 9.740 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.970 7.251 10.178 1.00 0.95 N ATOM 0 H HIS A 34 7.762 6.744 4.550 1.00 0.34 H new ATOM 0 HA HIS A 34 7.909 8.913 6.415 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.090 6.898 7.280 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.305 5.928 6.471 1.00 0.48 H new ATOM 0 HD1 HIS A 34 9.986 4.989 8.021 1.00 0.86 H new ATOM 0 HD2 HIS A 34 8.534 8.686 9.352 1.00 0.83 H new ATOM 0 HE1 HIS A 34 11.132 5.456 10.241 1.00 0.99 H new ATOM 546 N ILE A 35 10.682 7.706 5.156 1.00 0.31 N ATOM 547 CA ILE A 35 12.130 7.894 5.025 1.00 0.34 C ATOM 548 C ILE A 35 12.592 7.447 3.636 1.00 0.33 C ATOM 549 O ILE A 35 13.409 8.107 2.997 1.00 0.40 O ATOM 550 CB ILE A 35 12.922 7.102 6.097 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.598 7.615 7.505 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.420 7.190 5.828 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.419 6.957 8.593 1.00 0.51 C ATOM 0 H ILE A 35 10.292 7.035 4.494 1.00 0.31 H new ATOM 0 HA ILE A 35 12.330 8.956 5.170 1.00 0.34 H new ATOM 0 HB ILE A 35 12.620 6.056 6.039 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.764 8.692 7.537 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.540 7.449 7.709 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.960 6.628 6.590 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.638 6.771 4.846 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.734 8.233 5.856 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.136 7.369 9.562 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.235 5.883 8.588 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.478 7.145 8.414 1.00 0.51 H new ATOM 565 N GLN A 36 12.070 6.301 3.197 1.00 0.29 N ATOM 566 CA GLN A 36 12.388 5.734 1.890 1.00 0.30 C ATOM 567 C GLN A 36 11.517 4.506 1.648 1.00 0.30 C ATOM 568 O GLN A 36 11.660 3.498 2.340 1.00 0.64 O ATOM 569 CB GLN A 36 13.875 5.357 1.812 1.00 0.37 C ATOM 570 CG GLN A 36 14.235 4.500 0.605 1.00 0.40 C ATOM 571 CD GLN A 36 15.265 5.155 -0.297 1.00 0.47 C ATOM 572 OE1 GLN A 36 14.920 5.865 -1.240 1.00 0.76 O ATOM 573 NE2 GLN A 36 16.537 4.915 -0.018 1.00 0.61 N ATOM 0 H GLN A 36 11.414 5.740 3.740 1.00 0.29 H new ATOM 0 HA GLN A 36 12.187 6.478 1.119 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.470 6.270 1.787 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.152 4.822 2.720 1.00 0.37 H new ATOM 0 HG2 GLN A 36 14.619 3.540 0.949 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.333 4.295 0.029 1.00 0.40 H new ATOM 0 HE21 GLN A 36 16.782 4.320 0.774 1.00 0.61 H new ATOM 0 HE22 GLN A 36 17.272 5.325 -0.595 1.00 0.61 H new ATOM 582 N LEU A 37 10.592 4.603 0.701 1.00 0.27 N ATOM 583 CA LEU A 37 9.707 3.486 0.390 1.00 0.25 C ATOM 584 C LEU A 37 10.299 2.662 -0.746 1.00 0.22 C ATOM 585 O LEU A 37 10.520 3.173 -1.845 1.00 0.26 O ATOM 586 CB LEU A 37 8.311 3.985 0.011 1.00 0.33 C ATOM 587 CG LEU A 37 7.155 3.044 0.372 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.817 3.696 0.051 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.292 1.719 -0.366 1.00 0.53 C ATOM 0 H LEU A 37 10.435 5.439 0.137 1.00 0.27 H new ATOM 0 HA LEU A 37 9.613 2.860 1.277 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.142 4.945 0.499 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.288 4.166 -1.064 1.00 0.33 H new ATOM 0 HG LEU A 37 7.195 2.846 1.443 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.008 3.014 0.313 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.715 4.618 0.623 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.769 3.923 -1.014 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.463 1.065 -0.097 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.278 1.898 -1.441 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.233 1.244 -0.089 1.00 0.53 H new ATOM 601 N GLN A 38 10.558 1.393 -0.469 1.00 0.23 N ATOM 602 CA GLN A 38 11.139 0.488 -1.448 1.00 0.27 C ATOM 603 C GLN A 38 10.191 -0.678 -1.729 1.00 0.24 C ATOM 604 O GLN A 38 9.687 -1.319 -0.805 1.00 0.32 O ATOM 605 CB GLN A 38 12.489 -0.027 -0.935 1.00 0.38 C ATOM 606 CG GLN A 38 13.476 1.091 -0.625 1.00 0.51 C ATOM 607 CD GLN A 38 14.601 0.667 0.304 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.441 -0.220 1.145 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.751 1.311 0.164 1.00 0.75 N ATOM 0 H GLN A 38 10.372 0.963 0.437 1.00 0.23 H new ATOM 0 HA GLN A 38 11.297 1.028 -2.382 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.327 -0.620 -0.035 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.925 -0.692 -1.681 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.905 1.456 -1.559 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.938 1.925 -0.174 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.845 2.039 -0.544 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.542 1.078 0.764 1.00 0.75 H new ATOM 618 N LEU A 39 9.936 -0.930 -3.007 1.00 0.24 N ATOM 619 CA LEU A 39 9.054 -2.016 -3.416 1.00 0.24 C ATOM 620 C LEU A 39 9.669 -2.772 -4.588 1.00 0.26 C ATOM 621 O LEU A 39 9.684 -2.272 -5.715 1.00 0.34 O ATOM 622 CB LEU A 39 7.670 -1.469 -3.793 1.00 0.26 C ATOM 623 CG LEU A 39 6.590 -2.529 -4.053 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.202 -1.919 -3.944 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.775 -3.179 -5.420 1.00 0.41 C ATOM 0 H LEU A 39 10.329 -0.395 -3.781 1.00 0.24 H new ATOM 0 HA LEU A 39 8.932 -2.705 -2.580 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.327 -0.814 -2.992 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.773 -0.853 -4.686 1.00 0.26 H new ATOM 0 HG LEU A 39 6.693 -3.302 -3.292 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.451 -2.687 -4.132 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.061 -1.511 -2.943 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.096 -1.121 -4.679 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.996 -3.925 -5.576 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.709 -2.417 -6.197 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.752 -3.660 -5.465 1.00 0.41 H new ATOM 637 N SER A 40 10.193 -3.965 -4.311 1.00 0.25 N ATOM 638 CA SER A 40 10.831 -4.798 -5.330 1.00 0.28 C ATOM 639 C SER A 40 11.447 -6.050 -4.695 1.00 0.29 C ATOM 640 O SER A 40 11.147 -6.372 -3.546 1.00 0.38 O ATOM 641 CB SER A 40 11.913 -3.994 -6.066 1.00 0.36 C ATOM 642 OG SER A 40 11.369 -3.284 -7.168 1.00 0.55 O ATOM 0 H SER A 40 10.188 -4.380 -3.379 1.00 0.25 H new ATOM 0 HA SER A 40 10.071 -5.111 -6.046 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.381 -3.293 -5.375 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.695 -4.668 -6.415 1.00 0.36 H new ATOM 0 HG SER A 40 10.791 -2.563 -6.840 1.00 0.55 H new ATOM 648 N ALA A 41 12.281 -6.762 -5.462 1.00 0.33 N ATOM 649 CA ALA A 41 12.965 -7.964 -4.978 1.00 0.37 C ATOM 650 C ALA A 41 12.051 -9.187 -5.006 1.00 0.36 C ATOM 651 O ALA A 41 12.272 -10.156 -4.279 1.00 0.76 O ATOM 652 CB ALA A 41 13.525 -7.743 -3.576 1.00 0.46 C ATOM 0 H ALA A 41 12.499 -6.522 -6.429 1.00 0.33 H new ATOM 0 HA ALA A 41 13.796 -8.159 -5.656 1.00 0.37 H new ATOM 0 HB1 ALA A 41 14.028 -8.649 -3.238 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.237 -6.918 -3.594 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.710 -7.504 -2.892 1.00 0.46 H new ATOM 658 N GLU A 42 11.040 -9.151 -5.867 1.00 0.35 N ATOM 659 CA GLU A 42 10.101 -10.257 -5.999 1.00 0.30 C ATOM 660 C GLU A 42 9.894 -10.587 -7.472 1.00 0.33 C ATOM 661 O GLU A 42 10.195 -9.767 -8.349 1.00 0.51 O ATOM 662 CB GLU A 42 8.762 -9.919 -5.332 1.00 0.32 C ATOM 663 CG GLU A 42 8.848 -9.767 -3.818 1.00 0.54 C ATOM 664 CD GLU A 42 9.313 -11.033 -3.114 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.952 -12.144 -3.559 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.039 -10.923 -2.107 1.00 1.05 O ATOM 0 H GLU A 42 10.850 -8.363 -6.486 1.00 0.35 H new ATOM 0 HA GLU A 42 10.517 -11.129 -5.495 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.378 -8.993 -5.759 1.00 0.32 H new ATOM 0 HB3 GLU A 42 8.041 -10.702 -5.569 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.533 -8.954 -3.579 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.869 -9.483 -3.432 1.00 0.54 H new ATOM 673 N SER A 43 9.403 -11.787 -7.745 1.00 0.31 N ATOM 674 CA SER A 43 9.160 -12.221 -9.116 1.00 0.38 C ATOM 675 C SER A 43 8.021 -11.413 -9.738 1.00 0.34 C ATOM 676 O SER A 43 7.318 -10.687 -9.037 1.00 0.61 O ATOM 677 CB SER A 43 8.826 -13.713 -9.139 1.00 0.52 C ATOM 678 OG SER A 43 7.918 -14.047 -8.104 1.00 1.04 O ATOM 0 H SER A 43 9.164 -12.480 -7.035 1.00 0.31 H new ATOM 0 HA SER A 43 10.063 -12.052 -9.703 1.00 0.38 H new ATOM 0 HB2 SER A 43 8.395 -13.978 -10.105 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.740 -14.296 -9.027 1.00 0.52 H new ATOM 0 HG SER A 43 7.192 -14.594 -8.470 1.00 1.04 H new ATOM 684 N VAL A 44 7.844 -11.534 -11.051 1.00 0.39 N ATOM 685 CA VAL A 44 6.778 -10.813 -11.745 1.00 0.39 C ATOM 686 C VAL A 44 5.456 -10.930 -10.979 1.00 0.36 C ATOM 687 O VAL A 44 5.089 -12.018 -10.520 1.00 0.59 O ATOM 688 CB VAL A 44 6.580 -11.338 -13.186 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.222 -12.818 -13.180 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.514 -10.538 -13.913 1.00 0.58 C ATOM 0 H VAL A 44 8.421 -12.121 -11.654 1.00 0.39 H new ATOM 0 HA VAL A 44 7.079 -9.767 -11.794 1.00 0.39 H new ATOM 0 HB VAL A 44 7.523 -11.215 -13.719 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.088 -13.164 -14.205 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.025 -13.385 -12.708 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.297 -12.966 -12.623 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.394 -10.927 -14.924 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.568 -10.621 -13.377 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.814 -9.491 -13.960 1.00 0.58 H new ATOM 700 N GLY A 45 4.763 -9.810 -10.821 1.00 0.32 N ATOM 701 CA GLY A 45 3.495 -9.810 -10.109 1.00 0.33 C ATOM 702 C GLY A 45 3.671 -9.671 -8.607 1.00 0.28 C ATOM 703 O GLY A 45 3.151 -8.731 -7.998 1.00 0.33 O ATOM 0 H GLY A 45 5.055 -8.898 -11.173 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.876 -8.991 -10.476 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.961 -10.735 -10.325 1.00 0.33 H new ATOM 707 N GLU A 46 4.404 -10.608 -8.010 1.00 0.27 N ATOM 708 CA GLU A 46 4.656 -10.595 -6.570 1.00 0.28 C ATOM 709 C GLU A 46 5.488 -9.375 -6.191 1.00 0.24 C ATOM 710 O GLU A 46 6.438 -9.028 -6.889 1.00 0.31 O ATOM 711 CB GLU A 46 5.378 -11.880 -6.142 1.00 0.39 C ATOM 712 CG GLU A 46 4.535 -13.137 -6.319 1.00 0.51 C ATOM 713 CD GLU A 46 5.260 -14.400 -5.905 1.00 0.64 C ATOM 714 OE1 GLU A 46 5.468 -14.603 -4.689 1.00 0.82 O ATOM 715 OE2 GLU A 46 5.600 -15.213 -6.785 1.00 0.86 O ATOM 0 H GLU A 46 4.836 -11.389 -8.503 1.00 0.27 H new ATOM 0 HA GLU A 46 3.699 -10.543 -6.051 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.295 -11.982 -6.722 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.670 -11.792 -5.096 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.621 -13.040 -5.732 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.236 -13.223 -7.364 1.00 0.51 H new ATOM 722 N VAL A 47 5.129 -8.715 -5.096 1.00 0.22 N ATOM 723 CA VAL A 47 5.860 -7.535 -4.661 1.00 0.25 C ATOM 724 C VAL A 47 6.048 -7.492 -3.148 1.00 0.23 C ATOM 725 O VAL A 47 5.209 -7.974 -2.380 1.00 0.29 O ATOM 726 CB VAL A 47 5.173 -6.231 -5.121 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.186 -6.126 -6.640 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.751 -6.145 -4.577 1.00 0.35 C ATOM 0 H VAL A 47 4.344 -8.975 -4.499 1.00 0.22 H new ATOM 0 HA VAL A 47 6.841 -7.608 -5.131 1.00 0.25 H new ATOM 0 HB VAL A 47 5.735 -5.388 -4.719 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.697 -5.201 -6.945 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.216 -6.127 -6.996 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.654 -6.975 -7.068 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.288 -5.218 -4.915 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.171 -6.994 -4.940 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.777 -6.162 -3.487 1.00 0.35 H new ATOM 738 N TYR A 48 7.167 -6.905 -2.743 1.00 0.22 N ATOM 739 CA TYR A 48 7.521 -6.749 -1.342 1.00 0.22 C ATOM 740 C TYR A 48 7.498 -5.262 -1.001 1.00 0.22 C ATOM 741 O TYR A 48 8.173 -4.468 -1.661 1.00 0.29 O ATOM 742 CB TYR A 48 8.920 -7.327 -1.102 1.00 0.25 C ATOM 743 CG TYR A 48 9.160 -7.824 0.305 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.454 -6.943 1.338 1.00 0.58 C ATOM 745 CD2 TYR A 48 9.111 -9.183 0.594 1.00 0.49 C ATOM 746 CE1 TYR A 48 9.689 -7.401 2.620 1.00 0.74 C ATOM 747 CE2 TYR A 48 9.348 -9.648 1.871 1.00 0.66 C ATOM 748 CZ TYR A 48 9.637 -8.755 2.879 1.00 0.72 C ATOM 749 OH TYR A 48 9.882 -9.219 4.151 1.00 0.92 O ATOM 0 H TYR A 48 7.860 -6.521 -3.386 1.00 0.22 H new ATOM 0 HA TYR A 48 6.811 -7.281 -0.708 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.083 -8.150 -1.797 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.660 -6.562 -1.335 1.00 0.25 H new ATOM 0 HD1 TYR A 48 9.500 -5.883 1.136 1.00 0.58 H new ATOM 0 HD2 TYR A 48 8.884 -9.886 -0.194 1.00 0.49 H new ATOM 0 HE1 TYR A 48 9.912 -6.704 3.414 1.00 0.74 H new ATOM 0 HE2 TYR A 48 9.307 -10.707 2.079 1.00 0.66 H new ATOM 0 HH TYR A 48 9.260 -8.795 4.779 1.00 0.92 H new ATOM 759 N ILE A 49 6.720 -4.883 0.008 1.00 0.21 N ATOM 760 CA ILE A 49 6.602 -3.478 0.396 1.00 0.22 C ATOM 761 C ILE A 49 7.535 -3.126 1.556 1.00 0.23 C ATOM 762 O ILE A 49 7.281 -3.491 2.705 1.00 0.37 O ATOM 763 CB ILE A 49 5.148 -3.116 0.779 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.190 -3.468 -0.366 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.043 -1.637 1.125 1.00 0.30 C ATOM 766 CD1 ILE A 49 2.734 -3.195 -0.050 1.00 0.38 C ATOM 0 H ILE A 49 6.163 -5.525 0.571 1.00 0.21 H new ATOM 0 HA ILE A 49 6.896 -2.893 -0.476 1.00 0.22 H new ATOM 0 HB ILE A 49 4.866 -3.697 1.657 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.473 -2.899 -1.252 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.307 -4.523 -0.614 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.014 -1.398 1.392 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.698 -1.413 1.967 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.342 -1.040 0.264 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.118 -3.469 -0.907 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.433 -3.784 0.816 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.602 -2.135 0.168 1.00 0.38 H new ATOM 778 N LYS A 50 8.605 -2.403 1.247 1.00 0.21 N ATOM 779 CA LYS A 50 9.575 -1.983 2.249 1.00 0.25 C ATOM 780 C LYS A 50 9.433 -0.485 2.528 1.00 0.21 C ATOM 781 O LYS A 50 9.869 0.351 1.735 1.00 0.26 O ATOM 782 CB LYS A 50 10.998 -2.311 1.777 1.00 0.34 C ATOM 783 CG LYS A 50 12.091 -1.511 2.472 1.00 0.49 C ATOM 784 CD LYS A 50 12.335 -1.987 3.894 1.00 0.73 C ATOM 785 CE LYS A 50 13.625 -2.787 3.999 1.00 1.35 C ATOM 786 NZ LYS A 50 14.829 -1.960 3.694 1.00 1.74 N ATOM 0 H LYS A 50 8.823 -2.093 0.300 1.00 0.21 H new ATOM 0 HA LYS A 50 9.383 -2.526 3.175 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.185 -3.373 1.936 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.062 -2.134 0.703 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.016 -1.590 1.901 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.814 -0.457 2.486 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.382 -1.128 4.563 1.00 0.73 H new ATOM 0 HD3 LYS A 50 11.497 -2.601 4.222 1.00 0.73 H new ATOM 0 HE2 LYS A 50 13.714 -3.198 5.004 1.00 1.35 H new ATOM 0 HE3 LYS A 50 13.583 -3.632 3.312 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 15.682 -2.551 3.761 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.750 -1.574 2.731 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 14.895 -1.178 4.376 1.00 1.74 H new ATOM 800 N SER A 51 8.801 -0.157 3.645 1.00 0.24 N ATOM 801 CA SER A 51 8.612 1.232 4.037 1.00 0.25 C ATOM 802 C SER A 51 9.728 1.663 4.982 1.00 0.25 C ATOM 803 O SER A 51 9.802 1.185 6.110 1.00 0.33 O ATOM 804 CB SER A 51 7.249 1.416 4.712 1.00 0.32 C ATOM 805 OG SER A 51 6.187 1.262 3.781 1.00 0.53 O ATOM 0 H SER A 51 8.409 -0.836 4.298 1.00 0.24 H new ATOM 0 HA SER A 51 8.643 1.855 3.143 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.138 0.689 5.517 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.196 2.405 5.167 1.00 0.32 H new ATOM 0 HG SER A 51 6.314 0.433 3.275 1.00 0.53 H new ATOM 811 N THR A 52 10.594 2.561 4.509 1.00 0.24 N ATOM 812 CA THR A 52 11.720 3.069 5.297 1.00 0.28 C ATOM 813 C THR A 52 12.948 2.183 5.109 1.00 0.28 C ATOM 814 O THR A 52 12.866 0.965 5.253 1.00 0.34 O ATOM 815 CB THR A 52 11.394 3.164 6.810 1.00 0.32 C ATOM 816 OG1 THR A 52 10.167 3.889 7.014 1.00 0.35 O ATOM 817 CG2 THR A 52 12.523 3.842 7.574 1.00 0.38 C ATOM 0 H THR A 52 10.535 2.956 3.571 1.00 0.24 H new ATOM 0 HA THR A 52 11.922 4.076 4.931 1.00 0.28 H new ATOM 0 HB THR A 52 11.280 2.149 7.190 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.053 4.547 6.297 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.266 3.894 8.632 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.441 3.268 7.451 1.00 0.38 H new ATOM 0 HG23 THR A 52 12.671 4.850 7.186 1.00 0.38 H new ATOM 825 N GLU A 53 14.082 2.800 4.768 1.00 0.31 N ATOM 826 CA GLU A 53 15.332 2.065 4.576 1.00 0.35 C ATOM 827 C GLU A 53 15.487 1.015 5.676 1.00 0.31 C ATOM 828 O GLU A 53 15.664 -0.177 5.399 1.00 0.37 O ATOM 829 CB GLU A 53 16.523 3.031 4.601 1.00 0.43 C ATOM 830 CG GLU A 53 17.793 2.470 3.984 1.00 0.47 C ATOM 831 CD GLU A 53 17.709 2.367 2.478 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.626 3.417 1.811 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.725 1.235 1.951 1.00 0.74 O ATOM 0 H GLU A 53 14.159 3.806 4.620 1.00 0.31 H new ATOM 0 HA GLU A 53 15.306 1.567 3.607 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.248 3.943 4.072 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.728 3.311 5.634 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.636 3.106 4.255 1.00 0.47 H new ATOM 0 HG3 GLU A 53 17.991 1.483 4.402 1.00 0.47 H new ATOM 840 N THR A 54 15.386 1.476 6.915 1.00 0.28 N ATOM 841 CA THR A 54 15.490 0.619 8.083 1.00 0.31 C ATOM 842 C THR A 54 14.727 1.250 9.243 1.00 0.33 C ATOM 843 O THR A 54 14.696 2.475 9.365 1.00 0.52 O ATOM 844 CB THR A 54 16.962 0.401 8.490 1.00 0.40 C ATOM 845 OG1 THR A 54 17.728 1.581 8.198 1.00 0.63 O ATOM 846 CG2 THR A 54 17.561 -0.787 7.754 1.00 0.68 C ATOM 0 H THR A 54 15.229 2.459 7.137 1.00 0.28 H new ATOM 0 HA THR A 54 15.060 -0.351 7.835 1.00 0.31 H new ATOM 0 HB THR A 54 16.992 0.197 9.560 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.662 1.438 8.460 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.599 -0.918 8.059 1.00 0.68 H new ATOM 0 HG22 THR A 54 16.995 -1.687 7.995 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.519 -0.608 6.680 1.00 0.68 H new ATOM 854 N GLY A 55 14.095 0.425 10.068 1.00 0.39 N ATOM 855 CA GLY A 55 13.346 0.943 11.199 1.00 0.44 C ATOM 856 C GLY A 55 11.844 0.716 11.087 1.00 0.42 C ATOM 857 O GLY A 55 11.111 0.935 12.054 1.00 0.76 O ATOM 0 H GLY A 55 14.087 -0.591 9.976 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.710 0.472 12.112 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.538 2.012 11.293 1.00 0.44 H new ATOM 861 N GLN A 56 11.376 0.283 9.917 1.00 0.34 N ATOM 862 CA GLN A 56 9.953 0.038 9.703 1.00 0.30 C ATOM 863 C GLN A 56 9.740 -1.215 8.861 1.00 0.27 C ATOM 864 O GLN A 56 10.659 -1.678 8.179 1.00 0.38 O ATOM 865 CB GLN A 56 9.291 1.247 9.031 1.00 0.37 C ATOM 866 CG GLN A 56 9.090 2.430 9.965 1.00 0.49 C ATOM 867 CD GLN A 56 8.087 2.136 11.068 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.894 2.393 10.918 1.00 1.02 O ATOM 869 NE2 GLN A 56 8.566 1.596 12.179 1.00 0.89 N ATOM 0 H GLN A 56 11.962 0.095 9.104 1.00 0.34 H new ATOM 0 HA GLN A 56 9.488 -0.117 10.676 1.00 0.30 H new ATOM 0 HB2 GLN A 56 9.903 1.562 8.186 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.324 0.944 8.629 1.00 0.37 H new ATOM 0 HG2 GLN A 56 10.046 2.703 10.411 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.750 3.290 9.389 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.563 1.399 12.261 1.00 0.89 H new ATOM 0 HE22 GLN A 56 7.937 1.377 12.952 1.00 0.89 H new ATOM 878 N TYR A 57 8.532 -1.761 8.924 1.00 0.24 N ATOM 879 CA TYR A 57 8.187 -2.962 8.176 1.00 0.23 C ATOM 880 C TYR A 57 6.707 -2.949 7.801 1.00 0.25 C ATOM 881 O TYR A 57 5.840 -3.058 8.664 1.00 0.42 O ATOM 882 CB TYR A 57 8.512 -4.208 9.000 1.00 0.26 C ATOM 883 CG TYR A 57 8.437 -5.491 8.205 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.213 -6.045 7.852 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.592 -6.145 7.804 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.144 -7.214 7.125 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.531 -7.314 7.076 1.00 0.73 C ATOM 888 CZ TYR A 57 8.304 -7.844 6.739 1.00 0.79 C ATOM 889 OH TYR A 57 8.241 -9.012 6.015 1.00 1.03 O ATOM 0 H TYR A 57 7.770 -1.387 9.490 1.00 0.24 H new ATOM 0 HA TYR A 57 8.777 -2.983 7.260 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.513 -4.107 9.418 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.820 -4.269 9.840 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.300 -5.552 8.152 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.555 -5.732 8.066 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.184 -7.633 6.860 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.440 -7.812 6.771 1.00 0.73 H new ATOM 0 HH TYR A 57 7.518 -9.574 6.363 1.00 1.03 H new ATOM 899 N LEU A 58 6.425 -2.825 6.510 1.00 0.20 N ATOM 900 CA LEU A 58 5.049 -2.783 6.033 1.00 0.22 C ATOM 901 C LEU A 58 4.452 -4.185 5.997 1.00 0.23 C ATOM 902 O LEU A 58 4.920 -5.050 5.251 1.00 0.30 O ATOM 903 CB LEU A 58 4.986 -2.141 4.642 1.00 0.27 C ATOM 904 CG LEU A 58 3.626 -1.557 4.237 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.614 -2.664 3.987 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.116 -0.594 5.300 1.00 0.38 C ATOM 0 H LEU A 58 7.130 -2.752 5.776 1.00 0.20 H new ATOM 0 HA LEU A 58 4.463 -2.176 6.724 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.730 -1.346 4.596 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.273 -2.890 3.904 1.00 0.27 H new ATOM 0 HG LEU A 58 3.759 -1.003 3.308 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.658 -2.225 3.701 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.971 -3.309 3.184 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.486 -3.252 4.896 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.151 -0.191 4.993 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.004 -1.123 6.247 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.827 0.223 5.422 1.00 0.38 H new ATOM 918 N ALA A 59 3.430 -4.405 6.812 1.00 0.23 N ATOM 919 CA ALA A 59 2.764 -5.697 6.875 1.00 0.27 C ATOM 920 C ALA A 59 1.250 -5.529 6.981 1.00 0.24 C ATOM 921 O ALA A 59 0.759 -4.546 7.546 1.00 0.26 O ATOM 922 CB ALA A 59 3.292 -6.506 8.050 1.00 0.35 C ATOM 0 H ALA A 59 3.043 -3.702 7.441 1.00 0.23 H new ATOM 0 HA ALA A 59 2.980 -6.236 5.952 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.785 -7.470 8.085 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.364 -6.664 7.931 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.106 -5.964 8.977 1.00 0.35 H new ATOM 928 N MET A 60 0.513 -6.482 6.424 1.00 0.28 N ATOM 929 CA MET A 60 -0.943 -6.441 6.461 1.00 0.30 C ATOM 930 C MET A 60 -1.464 -7.171 7.692 1.00 0.26 C ATOM 931 O MET A 60 -0.903 -8.186 8.105 1.00 0.44 O ATOM 932 CB MET A 60 -1.544 -7.071 5.199 1.00 0.40 C ATOM 933 CG MET A 60 -1.207 -8.547 5.027 1.00 0.73 C ATOM 934 SD MET A 60 -2.409 -9.427 4.009 1.00 0.93 S ATOM 935 CE MET A 60 -3.825 -9.455 5.103 1.00 1.97 C ATOM 0 H MET A 60 0.900 -7.293 5.941 1.00 0.28 H new ATOM 0 HA MET A 60 -1.245 -5.395 6.507 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.628 -6.957 5.228 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.189 -6.523 4.326 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.219 -8.639 4.575 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.154 -9.019 6.008 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.246 -10.460 5.127 1.00 1.97 H new ATOM 0 HE2 MET A 60 -3.515 -9.167 6.107 1.00 1.97 H new ATOM 0 HE3 MET A 60 -4.578 -8.755 4.741 1.00 1.97 H new ATOM 945 N ASP A 61 -2.539 -6.655 8.269 1.00 0.30 N ATOM 946 CA ASP A 61 -3.140 -7.266 9.449 1.00 0.31 C ATOM 947 C ASP A 61 -4.085 -8.398 9.036 1.00 0.29 C ATOM 948 O ASP A 61 -4.725 -8.333 7.982 1.00 0.34 O ATOM 949 CB ASP A 61 -3.871 -6.201 10.280 1.00 0.42 C ATOM 950 CG ASP A 61 -5.185 -6.684 10.859 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.168 -7.526 11.780 1.00 0.94 O ATOM 952 OD2 ASP A 61 -6.243 -6.224 10.384 1.00 0.96 O ATOM 0 H ASP A 61 -3.014 -5.814 7.940 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.354 -7.697 10.070 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.222 -5.877 11.093 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.058 -5.328 9.654 1.00 0.42 H new ATOM 957 N THR A 62 -4.166 -9.431 9.866 1.00 0.37 N ATOM 958 CA THR A 62 -5.009 -10.589 9.581 1.00 0.44 C ATOM 959 C THR A 62 -6.483 -10.200 9.418 1.00 0.41 C ATOM 960 O THR A 62 -7.187 -10.774 8.584 1.00 0.50 O ATOM 961 CB THR A 62 -4.869 -11.669 10.686 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.491 -12.903 10.285 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.480 -11.198 11.995 1.00 0.74 C ATOM 0 H THR A 62 -3.656 -9.491 10.747 1.00 0.37 H new ATOM 0 HA THR A 62 -4.662 -11.003 8.634 1.00 0.44 H new ATOM 0 HB THR A 62 -3.803 -11.840 10.835 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.388 -13.568 10.997 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.367 -11.976 12.750 1.00 0.74 H new ATOM 0 HG22 THR A 62 -4.973 -10.292 12.328 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.539 -10.987 11.847 1.00 0.74 H new ATOM 971 N ASP A 63 -6.942 -9.228 10.202 1.00 0.36 N ATOM 972 CA ASP A 63 -8.337 -8.794 10.144 1.00 0.41 C ATOM 973 C ASP A 63 -8.637 -8.036 8.848 1.00 0.40 C ATOM 974 O ASP A 63 -9.168 -8.612 7.895 1.00 0.65 O ATOM 975 CB ASP A 63 -8.684 -7.932 11.363 1.00 0.47 C ATOM 976 CG ASP A 63 -10.169 -7.678 11.489 1.00 0.62 C ATOM 977 OD1 ASP A 63 -10.666 -6.697 10.901 1.00 0.75 O ATOM 978 OD2 ASP A 63 -10.848 -8.455 12.187 1.00 0.82 O ATOM 0 H ASP A 63 -6.372 -8.727 10.883 1.00 0.36 H new ATOM 0 HA ASP A 63 -8.962 -9.687 10.158 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.325 -8.425 12.266 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.161 -6.979 11.291 1.00 0.47 H new ATOM 983 N GLY A 64 -8.278 -6.760 8.803 1.00 0.45 N ATOM 984 CA GLY A 64 -8.535 -5.959 7.618 1.00 0.50 C ATOM 985 C GLY A 64 -7.762 -4.646 7.587 1.00 0.43 C ATOM 986 O GLY A 64 -8.140 -3.725 6.856 1.00 0.64 O ATOM 0 H GLY A 64 -7.814 -6.264 9.564 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -8.279 -6.542 6.733 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -9.602 -5.744 7.560 1.00 0.50 H new ATOM 990 N LEU A 65 -6.673 -4.564 8.354 1.00 0.40 N ATOM 991 CA LEU A 65 -5.856 -3.354 8.423 1.00 0.34 C ATOM 992 C LEU A 65 -4.441 -3.598 7.888 1.00 0.33 C ATOM 993 O LEU A 65 -4.134 -4.683 7.373 1.00 0.60 O ATOM 994 CB LEU A 65 -5.796 -2.852 9.874 1.00 0.37 C ATOM 995 CG LEU A 65 -6.837 -1.790 10.247 1.00 0.71 C ATOM 996 CD1 LEU A 65 -6.525 -0.473 9.557 1.00 1.23 C ATOM 997 CD2 LEU A 65 -8.241 -2.261 9.890 1.00 1.16 C ATOM 0 H LEU A 65 -6.336 -5.328 8.940 1.00 0.40 H new ATOM 0 HA LEU A 65 -6.320 -2.595 7.793 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -5.918 -3.705 10.541 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.803 -2.443 10.058 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.794 -1.634 11.325 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -7.274 0.269 9.833 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -5.539 -0.125 9.865 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -6.538 -0.616 8.477 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -8.963 -1.492 10.163 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -8.300 -2.450 8.818 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.466 -3.179 10.433 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.595 -2.575 7.994 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.209 -2.644 7.546 1.00 0.36 C ATOM 1011 C LEU A 66 -1.328 -1.859 8.515 1.00 0.34 C ATOM 1012 O LEU A 66 -1.752 -0.826 9.037 1.00 0.45 O ATOM 1013 CB LEU A 66 -2.063 -2.076 6.127 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.905 -2.765 5.048 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.309 -2.180 5.002 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.231 -2.639 3.690 1.00 0.61 C ATOM 0 H LEU A 66 -3.854 -1.673 8.394 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.897 -3.688 7.526 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.328 -1.019 6.149 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.014 -2.136 5.837 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.986 -3.822 5.300 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.888 -2.685 4.229 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.794 -2.321 5.968 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.252 -1.115 4.776 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.841 -3.133 2.934 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.121 -1.585 3.435 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -1.248 -3.108 3.727 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.114 -2.340 8.757 1.00 0.28 N ATOM 1029 CA TYR A 67 0.800 -1.668 9.680 1.00 0.33 C ATOM 1030 C TYR A 67 2.230 -1.651 9.140 1.00 0.30 C ATOM 1031 O TYR A 67 2.592 -2.464 8.288 1.00 0.32 O ATOM 1032 CB TYR A 67 0.761 -2.341 11.059 1.00 0.43 C ATOM 1033 CG TYR A 67 1.124 -3.812 11.050 1.00 0.41 C ATOM 1034 CD1 TYR A 67 0.226 -4.765 10.583 1.00 0.45 C ATOM 1035 CD2 TYR A 67 2.360 -4.247 11.515 1.00 0.55 C ATOM 1036 CE1 TYR A 67 0.550 -6.107 10.577 1.00 0.55 C ATOM 1037 CE2 TYR A 67 2.691 -5.588 11.512 1.00 0.65 C ATOM 1038 CZ TYR A 67 1.783 -6.515 11.041 1.00 0.63 C ATOM 1039 OH TYR A 67 2.108 -7.854 11.033 1.00 0.80 O ATOM 0 H TYR A 67 0.261 -3.188 8.331 1.00 0.28 H new ATOM 0 HA TYR A 67 0.468 -0.635 9.780 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.444 -1.815 11.726 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.240 -2.229 11.476 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -0.741 -4.450 10.219 1.00 0.45 H new ATOM 0 HD2 TYR A 67 3.073 -3.525 11.885 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -0.159 -6.834 10.210 1.00 0.55 H new ATOM 0 HE2 TYR A 67 3.655 -5.910 11.876 1.00 0.65 H new ATOM 0 HH TYR A 67 3.076 -7.955 10.918 1.00 0.80 H new ATOM 1049 N GLY A 68 3.033 -0.712 9.639 1.00 0.34 N ATOM 1050 CA GLY A 68 4.416 -0.598 9.206 1.00 0.38 C ATOM 1051 C GLY A 68 5.409 -0.891 10.324 1.00 0.52 C ATOM 1052 O GLY A 68 6.599 -0.588 10.199 1.00 1.27 O ATOM 0 H GLY A 68 2.748 -0.026 10.338 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.592 -1.287 8.380 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.591 0.408 8.825 1.00 0.38 H new ATOM 1056 N SER A 69 4.924 -1.487 11.410 1.00 0.36 N ATOM 1057 CA SER A 69 5.770 -1.816 12.548 1.00 0.39 C ATOM 1058 C SER A 69 6.648 -3.033 12.240 1.00 0.32 C ATOM 1059 O SER A 69 6.196 -3.993 11.618 1.00 0.37 O ATOM 1060 CB SER A 69 4.904 -2.087 13.783 1.00 0.51 C ATOM 1061 OG SER A 69 3.943 -1.054 13.977 1.00 1.23 O ATOM 0 H SER A 69 3.946 -1.752 11.524 1.00 0.36 H new ATOM 0 HA SER A 69 6.423 -0.967 12.750 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.395 -3.044 13.670 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.539 -2.166 14.665 1.00 0.51 H new ATOM 0 HG SER A 69 4.356 -0.184 13.794 1.00 1.23 H new ATOM 1067 N GLN A 70 7.904 -2.982 12.680 1.00 0.31 N ATOM 1068 CA GLN A 70 8.855 -4.073 12.450 1.00 0.33 C ATOM 1069 C GLN A 70 8.252 -5.428 12.838 1.00 0.32 C ATOM 1070 O GLN A 70 7.916 -5.659 14.005 1.00 0.45 O ATOM 1071 CB GLN A 70 10.147 -3.830 13.242 1.00 0.43 C ATOM 1072 CG GLN A 70 11.419 -4.002 12.419 1.00 0.61 C ATOM 1073 CD GLN A 70 11.540 -5.380 11.788 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.019 -6.364 12.312 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.227 -5.461 10.660 1.00 1.29 N ATOM 0 H GLN A 70 8.290 -2.194 13.200 1.00 0.31 H new ATOM 0 HA GLN A 70 9.086 -4.095 11.385 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.125 -2.820 13.652 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.178 -4.517 14.088 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.441 -3.246 11.634 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.284 -3.824 13.057 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.645 -4.623 10.256 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.339 -6.362 10.195 1.00 1.29 H new ATOM 1084 N THR A 71 8.104 -6.310 11.853 1.00 0.29 N ATOM 1085 CA THR A 71 7.552 -7.645 12.070 1.00 0.33 C ATOM 1086 C THR A 71 7.850 -8.551 10.867 1.00 0.30 C ATOM 1087 O THR A 71 7.205 -8.443 9.823 1.00 0.38 O ATOM 1088 CB THR A 71 6.021 -7.595 12.323 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.738 -6.985 13.598 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.406 -8.991 12.285 1.00 0.58 C ATOM 0 H THR A 71 8.362 -6.121 10.885 1.00 0.29 H new ATOM 0 HA THR A 71 8.031 -8.056 12.959 1.00 0.33 H new ATOM 0 HB THR A 71 5.579 -6.996 11.527 1.00 0.43 H new ATOM 0 HG1 THR A 71 6.580 -6.773 14.053 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.333 -8.921 12.466 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.581 -9.439 11.307 1.00 0.58 H new ATOM 0 HG23 THR A 71 5.864 -9.611 13.055 1.00 0.58 H new ATOM 1098 N PRO A 72 8.848 -9.444 10.993 1.00 0.30 N ATOM 1099 CA PRO A 72 9.232 -10.358 9.910 1.00 0.33 C ATOM 1100 C PRO A 72 8.175 -11.433 9.645 1.00 0.31 C ATOM 1101 O PRO A 72 8.316 -12.583 10.071 1.00 0.44 O ATOM 1102 CB PRO A 72 10.532 -10.990 10.419 1.00 0.44 C ATOM 1103 CG PRO A 72 10.445 -10.897 11.903 1.00 0.50 C ATOM 1104 CD PRO A 72 9.681 -9.634 12.199 1.00 0.41 C ATOM 0 HA PRO A 72 9.342 -9.836 8.959 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.623 -12.026 10.092 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.405 -10.459 10.040 1.00 0.44 H new ATOM 0 HG2 PRO A 72 9.936 -11.767 12.319 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.439 -10.865 12.350 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.071 -9.735 13.096 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.350 -8.789 12.362 1.00 0.41 H new ATOM 1112 N ASN A 73 7.108 -11.048 8.953 1.00 0.28 N ATOM 1113 CA ASN A 73 6.031 -11.977 8.627 1.00 0.31 C ATOM 1114 C ASN A 73 5.861 -12.098 7.114 1.00 0.28 C ATOM 1115 O ASN A 73 6.335 -11.248 6.356 1.00 0.31 O ATOM 1116 CB ASN A 73 4.718 -11.516 9.268 1.00 0.38 C ATOM 1117 CG ASN A 73 3.698 -12.639 9.388 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.867 -13.719 8.815 1.00 1.01 O ATOM 1119 ND2 ASN A 73 2.624 -12.391 10.127 1.00 1.26 N ATOM 0 H ASN A 73 6.965 -10.099 8.607 1.00 0.28 H new ATOM 0 HA ASN A 73 6.294 -12.957 9.025 1.00 0.31 H new ATOM 0 HB2 ASN A 73 4.925 -11.111 10.259 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.293 -10.706 8.675 1.00 0.38 H new ATOM 0 HD21 ASN A 73 1.904 -13.105 10.236 1.00 1.26 H new ATOM 0 HD22 ASN A 73 2.519 -11.486 10.586 1.00 1.26 H new ATOM 1126 N GLU A 74 5.175 -13.149 6.686 1.00 0.28 N ATOM 1127 CA GLU A 74 4.933 -13.400 5.266 1.00 0.30 C ATOM 1128 C GLU A 74 3.934 -12.393 4.696 1.00 0.28 C ATOM 1129 O GLU A 74 3.917 -12.133 3.492 1.00 0.31 O ATOM 1130 CB GLU A 74 4.394 -14.817 5.065 1.00 0.37 C ATOM 1131 CG GLU A 74 5.258 -15.897 5.695 1.00 0.45 C ATOM 1132 CD GLU A 74 4.553 -17.234 5.761 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.577 -17.358 6.533 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.976 -18.171 5.054 1.00 0.79 O ATOM 0 H GLU A 74 4.771 -13.850 7.307 1.00 0.28 H new ATOM 0 HA GLU A 74 5.881 -13.292 4.739 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.390 -14.877 5.485 1.00 0.37 H new ATOM 0 HB3 GLU A 74 4.305 -15.014 3.997 1.00 0.37 H new ATOM 0 HG2 GLU A 74 6.179 -16.003 5.121 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.543 -15.590 6.701 1.00 0.45 H new ATOM 1141 N GLU A 75 3.103 -11.837 5.575 1.00 0.28 N ATOM 1142 CA GLU A 75 2.083 -10.863 5.186 1.00 0.30 C ATOM 1143 C GLU A 75 2.653 -9.757 4.290 1.00 0.34 C ATOM 1144 O GLU A 75 1.911 -9.136 3.529 1.00 0.60 O ATOM 1145 CB GLU A 75 1.434 -10.230 6.427 1.00 0.37 C ATOM 1146 CG GLU A 75 1.159 -11.202 7.568 1.00 0.49 C ATOM 1147 CD GLU A 75 0.632 -12.549 7.102 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.566 -12.641 6.761 1.00 1.21 O ATOM 1149 OE2 GLU A 75 1.414 -13.522 7.080 1.00 1.26 O ATOM 0 H GLU A 75 3.116 -12.047 6.573 1.00 0.28 H new ATOM 0 HA GLU A 75 1.330 -11.407 4.616 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.083 -9.435 6.794 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.494 -9.764 6.131 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.078 -11.356 8.133 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.436 -10.754 8.250 1.00 0.49 H new ATOM 1156 N CYS A 76 3.958 -9.508 4.386 1.00 0.25 N ATOM 1157 CA CYS A 76 4.605 -8.470 3.585 1.00 0.28 C ATOM 1158 C CYS A 76 4.546 -8.789 2.083 1.00 0.28 C ATOM 1159 O CYS A 76 4.767 -7.907 1.249 1.00 0.36 O ATOM 1160 CB CYS A 76 6.060 -8.299 4.026 1.00 0.31 C ATOM 1161 SG CYS A 76 6.713 -6.625 3.815 1.00 0.49 S ATOM 0 H CYS A 76 4.588 -10.011 5.011 1.00 0.25 H new ATOM 0 HA CYS A 76 4.062 -7.539 3.748 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.144 -8.579 5.076 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.682 -8.993 3.460 1.00 0.31 H new ATOM 0 HG CYS A 76 5.965 -5.783 4.464 1.00 0.49 H new ATOM 1167 N LEU A 77 4.266 -10.047 1.736 1.00 0.27 N ATOM 1168 CA LEU A 77 4.181 -10.447 0.336 1.00 0.31 C ATOM 1169 C LEU A 77 2.844 -10.026 -0.270 1.00 0.25 C ATOM 1170 O LEU A 77 1.793 -10.603 0.040 1.00 0.31 O ATOM 1171 CB LEU A 77 4.380 -11.960 0.188 1.00 0.41 C ATOM 1172 CG LEU A 77 5.833 -12.442 0.278 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.738 -11.599 -0.611 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.324 -12.422 1.719 1.00 0.58 C ATOM 0 H LEU A 77 4.096 -10.800 2.403 1.00 0.27 H new ATOM 0 HA LEU A 77 4.979 -9.940 -0.206 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.799 -12.463 0.961 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.970 -12.271 -0.773 1.00 0.41 H new ATOM 0 HG LEU A 77 5.869 -13.472 -0.078 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.764 -11.959 -0.531 1.00 0.76 H new ATOM 0 HD12 LEU A 77 6.406 -11.677 -1.646 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.693 -10.558 -0.293 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.357 -12.768 1.756 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.268 -11.406 2.109 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.699 -13.078 2.325 1.00 0.58 H new ATOM 1186 N PHE A 78 2.892 -9.024 -1.139 1.00 0.21 N ATOM 1187 CA PHE A 78 1.694 -8.511 -1.790 1.00 0.21 C ATOM 1188 C PHE A 78 1.797 -8.640 -3.309 1.00 0.19 C ATOM 1189 O PHE A 78 2.838 -9.036 -3.845 1.00 0.23 O ATOM 1190 CB PHE A 78 1.473 -7.043 -1.412 1.00 0.26 C ATOM 1191 CG PHE A 78 1.256 -6.816 0.057 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.017 -7.048 0.632 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.290 -6.366 0.861 1.00 0.32 C ATOM 1194 CE1 PHE A 78 -0.186 -6.835 1.981 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.093 -6.151 2.210 1.00 0.38 C ATOM 1196 CZ PHE A 78 0.853 -6.386 2.773 1.00 0.45 C ATOM 0 H PHE A 78 3.753 -8.549 -1.410 1.00 0.21 H new ATOM 0 HA PHE A 78 0.846 -9.104 -1.448 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.336 -6.461 -1.735 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.610 -6.664 -1.959 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.799 -7.399 0.018 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.262 -6.181 0.427 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -1.157 -7.019 2.417 1.00 0.53 H new ATOM 0 HE2 PHE A 78 2.908 -5.799 2.825 1.00 0.38 H new ATOM 0 HZ PHE A 78 0.697 -6.219 3.829 1.00 0.45 H new ATOM 1206 N LEU A 79 0.705 -8.317 -3.990 1.00 0.21 N ATOM 1207 CA LEU A 79 0.646 -8.364 -5.443 1.00 0.21 C ATOM 1208 C LEU A 79 0.385 -6.959 -5.984 1.00 0.20 C ATOM 1209 O LEU A 79 -0.608 -6.320 -5.611 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.461 -9.325 -5.898 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.196 -10.074 -7.210 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.025 -9.099 -8.368 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.025 -10.978 -7.076 1.00 0.35 C ATOM 0 H LEU A 79 -0.164 -8.015 -3.549 1.00 0.21 H new ATOM 0 HA LEU A 79 1.597 -8.728 -5.832 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.626 -10.059 -5.109 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.386 -8.759 -6.005 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.062 -10.701 -7.424 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.162 -9.655 -9.287 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.932 -8.505 -8.481 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.818 -8.438 -8.166 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.196 -11.500 -8.017 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.899 -10.375 -6.832 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.853 -11.706 -6.283 1.00 0.35 H new ATOM 1225 N GLU A 80 1.280 -6.477 -6.841 1.00 0.21 N ATOM 1226 CA GLU A 80 1.158 -5.142 -7.419 1.00 0.22 C ATOM 1227 C GLU A 80 0.720 -5.227 -8.880 1.00 0.22 C ATOM 1228 O GLU A 80 1.383 -5.864 -9.700 1.00 0.35 O ATOM 1229 CB GLU A 80 2.493 -4.403 -7.309 1.00 0.28 C ATOM 1230 CG GLU A 80 2.461 -2.981 -7.839 1.00 0.33 C ATOM 1231 CD GLU A 80 3.787 -2.269 -7.659 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.779 -2.692 -8.280 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.838 -1.276 -6.894 1.00 0.45 O ATOM 0 H GLU A 80 2.102 -6.994 -7.152 1.00 0.21 H new ATOM 0 HA GLU A 80 0.399 -4.590 -6.865 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.799 -4.382 -6.263 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.253 -4.965 -7.853 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.200 -2.996 -8.897 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.679 -2.422 -7.326 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.397 -4.586 -9.199 1.00 0.20 N ATOM 1241 CA ARG A 81 -0.927 -4.607 -10.557 1.00 0.23 C ATOM 1242 C ARG A 81 -1.055 -3.197 -11.133 1.00 0.20 C ATOM 1243 O ARG A 81 -2.006 -2.480 -10.826 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.290 -5.298 -10.570 1.00 0.29 C ATOM 1245 CG ARG A 81 -2.934 -5.348 -11.942 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.341 -5.912 -11.876 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.779 -6.422 -13.176 1.00 0.69 N ATOM 1248 CZ ARG A 81 -5.496 -7.535 -13.345 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -5.934 -8.221 -12.287 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -5.792 -7.949 -14.575 1.00 1.02 N ATOM 0 H ARG A 81 -0.953 -4.045 -8.537 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.227 -5.162 -11.182 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.176 -6.315 -10.195 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -2.958 -4.778 -9.883 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -2.963 -4.345 -12.368 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.326 -5.960 -12.608 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.378 -6.714 -11.139 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.029 -5.137 -11.538 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.519 -5.892 -14.008 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -5.721 -7.895 -11.344 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -6.482 -9.071 -12.421 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.471 -7.416 -15.383 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -6.340 -8.799 -14.709 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.101 -2.806 -11.966 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.128 -1.488 -12.589 1.00 0.24 C ATOM 1266 C LEU A 82 -0.885 -1.544 -13.917 1.00 0.27 C ATOM 1267 O LEU A 82 -0.504 -2.288 -14.823 1.00 0.40 O ATOM 1268 CB LEU A 82 1.300 -0.979 -12.807 1.00 0.32 C ATOM 1269 CG LEU A 82 1.414 0.482 -13.252 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.833 1.414 -12.199 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.867 0.840 -13.542 1.00 0.54 C ATOM 0 H LEU A 82 0.700 -3.381 -12.226 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.647 -0.796 -11.925 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.858 -1.103 -11.879 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.782 -1.608 -13.555 1.00 0.32 H new ATOM 0 HG LEU A 82 0.839 0.605 -14.169 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.925 2.446 -12.536 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.219 1.176 -12.043 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.376 1.289 -11.262 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.929 1.882 -13.857 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.464 0.697 -12.641 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.249 0.198 -14.336 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.960 -0.764 -14.029 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.768 -0.736 -15.252 1.00 0.36 C ATOM 1285 C GLU A 83 -2.261 0.320 -16.245 1.00 0.44 C ATOM 1286 O GLU A 83 -2.849 0.507 -17.312 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.237 -0.470 -14.915 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.191 -0.801 -16.057 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.370 0.152 -16.147 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -6.153 1.379 -16.140 1.00 1.24 O ATOM 1291 OE2 GLU A 83 -7.522 -0.326 -16.258 1.00 1.19 O ATOM 0 H GLU A 83 -2.292 -0.144 -13.291 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.677 -1.714 -15.725 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.513 -1.057 -14.039 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.356 0.579 -14.645 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.642 -0.779 -16.998 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.563 -1.818 -15.928 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.181 1.017 -15.885 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.583 2.045 -16.740 1.00 0.38 C ATOM 1300 C GLU A 84 -1.376 3.355 -16.704 1.00 0.31 C ATOM 1301 O GLU A 84 -0.796 4.422 -16.492 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.417 1.527 -18.185 1.00 0.50 C ATOM 1303 CG GLU A 84 -0.980 2.450 -19.263 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.897 1.856 -20.655 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -1.749 1.005 -20.991 1.00 1.14 O ATOM 1306 OE2 GLU A 84 0.006 2.243 -21.428 1.00 1.23 O ATOM 0 H GLU A 84 -0.698 0.886 -14.996 1.00 0.37 H new ATOM 0 HA GLU A 84 0.408 2.265 -16.342 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.644 1.368 -18.380 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.905 0.556 -18.267 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -2.021 2.676 -19.032 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -0.437 3.395 -19.244 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.690 3.285 -16.899 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.528 4.485 -16.896 1.00 0.37 C ATOM 1315 C ASN A 85 -3.702 5.043 -15.482 1.00 0.29 C ATOM 1316 O ASN A 85 -4.787 4.976 -14.904 1.00 0.33 O ATOM 1317 CB ASN A 85 -4.896 4.196 -17.525 1.00 0.49 C ATOM 1318 CG ASN A 85 -5.752 5.449 -17.652 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.238 6.552 -17.855 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.063 5.292 -17.530 1.00 0.79 N ATOM 0 H ASN A 85 -3.198 2.415 -17.061 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.020 5.240 -17.496 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -4.754 3.755 -18.512 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.423 3.459 -16.919 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -7.682 6.099 -17.604 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.452 4.364 -17.363 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.612 5.582 -14.932 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.610 6.173 -13.590 1.00 0.33 C ATOM 1329 C HIS A 86 -3.415 5.332 -12.596 1.00 0.30 C ATOM 1330 O HIS A 86 -4.151 5.872 -11.769 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.160 7.608 -13.634 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.605 7.697 -14.030 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.021 7.874 -15.331 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.735 7.631 -13.284 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.339 7.912 -15.370 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.799 7.765 -14.142 1.00 0.71 N ATOM 0 H HIS A 86 -1.708 5.622 -15.402 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.576 6.195 -13.246 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -3.034 8.064 -12.652 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.565 8.193 -14.336 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -4.405 7.962 -16.139 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.789 7.498 -12.214 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -6.940 8.042 -16.258 1.00 0.78 H new ATOM 1345 N TYR A 87 -3.276 4.016 -12.680 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.993 3.122 -11.783 1.00 0.34 C ATOM 1347 C TYR A 87 -3.185 1.857 -11.506 1.00 0.24 C ATOM 1348 O TYR A 87 -2.634 1.240 -12.425 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.368 2.757 -12.368 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.922 1.447 -11.847 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.140 1.252 -10.489 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.203 0.401 -12.713 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.624 0.049 -10.013 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -6.683 -0.805 -12.245 1.00 1.03 C ATOM 1355 CZ TYR A 87 -6.891 -0.976 -10.895 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.363 -2.181 -10.424 1.00 1.27 O ATOM 0 H TYR A 87 -2.676 3.546 -13.357 1.00 0.26 H new ATOM 0 HA TYR A 87 -4.141 3.645 -10.838 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -6.074 3.556 -12.141 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.288 2.702 -13.454 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.928 2.052 -9.796 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.043 0.533 -13.773 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -6.792 -0.088 -8.955 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -6.894 -1.610 -12.934 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.500 -2.795 -11.175 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.100 1.494 -10.231 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.393 0.293 -9.816 1.00 0.20 C ATOM 1368 C ASN A 88 -3.188 -0.442 -8.737 1.00 0.20 C ATOM 1369 O ASN A 88 -3.685 0.180 -7.796 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.004 0.638 -9.278 1.00 0.21 C ATOM 1371 CG ASN A 88 -0.246 -0.592 -8.814 1.00 0.20 C ATOM 1372 OD1 ASN A 88 0.536 -1.174 -9.560 1.00 0.24 O ATOM 1373 ND2 ASN A 88 -0.479 -1.000 -7.575 1.00 0.24 N ATOM 0 H ASN A 88 -3.516 2.021 -9.463 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.283 -0.351 -10.688 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.431 1.144 -10.055 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -1.101 1.337 -8.447 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.001 -1.824 -7.211 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -1.136 -0.490 -6.985 1.00 0.24 H new ATOM 1380 N THR A 89 -3.315 -1.749 -8.885 1.00 0.23 N ATOM 1381 CA THR A 89 -4.033 -2.568 -7.924 1.00 0.26 C ATOM 1382 C THR A 89 -3.062 -3.179 -6.911 1.00 0.21 C ATOM 1383 O THR A 89 -1.943 -3.564 -7.267 1.00 0.25 O ATOM 1384 CB THR A 89 -4.814 -3.702 -8.624 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.056 -3.367 -10.003 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.135 -3.961 -7.912 1.00 0.72 C ATOM 0 H THR A 89 -2.926 -2.270 -9.670 1.00 0.23 H new ATOM 0 HA THR A 89 -4.742 -1.920 -7.409 1.00 0.26 H new ATOM 0 HB THR A 89 -4.211 -4.609 -8.582 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.733 -2.660 -10.054 1.00 0.57 H new ATOM 0 HG21 THR A 89 -6.671 -4.763 -8.420 1.00 0.72 H new ATOM 0 HG22 THR A 89 -5.941 -4.251 -6.879 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.740 -3.054 -7.927 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.486 -3.246 -5.653 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.671 -3.817 -4.587 1.00 0.21 C ATOM 1396 C TYR A 90 -3.472 -4.863 -3.820 1.00 0.23 C ATOM 1397 O TYR A 90 -4.517 -4.548 -3.245 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.195 -2.728 -3.621 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.961 -1.980 -4.079 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.249 -2.640 -4.276 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.001 -0.610 -4.297 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.380 -1.952 -4.676 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.124 0.083 -4.701 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.313 -0.592 -4.888 1.00 0.31 C ATOM 1405 OH TYR A 90 2.439 0.099 -5.281 1.00 0.36 O ATOM 0 H TYR A 90 -4.398 -2.908 -5.345 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.799 -4.287 -5.041 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -3.004 -2.013 -3.472 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.990 -3.183 -2.652 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.305 -3.706 -4.114 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.928 -0.076 -4.148 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.312 -2.478 -4.822 1.00 0.29 H new ATOM 0 HE2 TYR A 90 0.073 1.149 -4.870 1.00 0.31 H new ATOM 0 HH TYR A 90 3.131 -0.536 -5.560 1.00 0.36 H new ATOM 1415 N ILE A 91 -2.992 -6.103 -3.821 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.673 -7.186 -3.115 1.00 0.26 C ATOM 1417 C ILE A 91 -2.671 -8.071 -2.376 1.00 0.27 C ATOM 1418 O ILE A 91 -1.492 -8.131 -2.739 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.522 -8.060 -4.070 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.648 -8.649 -5.174 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.662 -7.246 -4.667 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.349 -9.701 -6.006 1.00 0.31 C ATOM 0 H ILE A 91 -2.137 -6.383 -4.301 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.343 -6.716 -2.395 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.951 -8.881 -3.496 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.313 -7.844 -5.828 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.757 -9.087 -4.725 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.248 -7.877 -5.336 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.301 -6.873 -3.867 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.254 -6.404 -5.227 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.667 -10.074 -6.770 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.660 -10.525 -5.364 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.225 -9.263 -6.484 1.00 0.31 H new ATOM 1434 N SER A 92 -3.145 -8.740 -1.334 1.00 0.33 N ATOM 1435 CA SER A 92 -2.306 -9.624 -0.537 1.00 0.37 C ATOM 1436 C SER A 92 -1.995 -10.906 -1.308 1.00 0.31 C ATOM 1437 O SER A 92 -2.903 -11.578 -1.800 1.00 0.44 O ATOM 1438 CB SER A 92 -3.016 -9.957 0.776 1.00 0.50 C ATOM 1439 OG SER A 92 -3.708 -8.824 1.276 1.00 0.82 O ATOM 0 H SER A 92 -4.114 -8.686 -1.019 1.00 0.33 H new ATOM 0 HA SER A 92 -1.365 -9.118 -0.320 1.00 0.37 H new ATOM 0 HB2 SER A 92 -3.717 -10.776 0.618 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.288 -10.298 1.512 1.00 0.50 H new ATOM 0 HG SER A 92 -3.501 -8.708 2.227 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.715 -11.245 -1.403 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.291 -12.441 -2.121 1.00 0.31 C ATOM 1447 C LYS A 93 -0.546 -13.691 -1.280 1.00 0.29 C ATOM 1448 O LYS A 93 -1.202 -14.633 -1.731 1.00 0.35 O ATOM 1449 CB LYS A 93 1.195 -12.336 -2.497 1.00 0.42 C ATOM 1450 CG LYS A 93 1.776 -13.606 -3.103 1.00 0.55 C ATOM 1451 CD LYS A 93 2.138 -14.625 -2.030 1.00 0.74 C ATOM 1452 CE LYS A 93 3.626 -14.937 -2.026 1.00 0.80 C ATOM 1453 NZ LYS A 93 4.003 -15.899 -3.097 1.00 0.80 N ATOM 0 H LYS A 93 0.048 -10.708 -0.991 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.876 -12.522 -3.037 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.322 -11.517 -3.206 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.767 -12.078 -1.606 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.054 -14.044 -3.793 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.664 -13.359 -3.685 1.00 0.55 H new ATOM 0 HD2 LYS A 93 1.844 -14.243 -1.052 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.575 -15.543 -2.196 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.189 -14.013 -2.156 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.906 -15.348 -1.056 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 4.343 -16.783 -2.666 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 3.173 -16.100 -3.691 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 4.757 -15.488 -3.683 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.031 -13.689 -0.053 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.200 -14.827 0.848 1.00 0.31 C ATOM 1469 C LYS A 94 -1.682 -15.116 1.090 1.00 0.31 C ATOM 1470 O LYS A 94 -2.089 -16.274 1.183 1.00 0.56 O ATOM 1471 CB LYS A 94 0.509 -14.574 2.184 1.00 0.36 C ATOM 1472 CG LYS A 94 0.386 -15.725 3.170 1.00 0.55 C ATOM 1473 CD LYS A 94 1.136 -15.434 4.458 1.00 0.55 C ATOM 1474 CE LYS A 94 0.606 -16.271 5.611 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.365 -16.035 6.866 1.00 0.69 N ATOM 0 H LYS A 94 0.505 -12.915 0.340 1.00 0.28 H new ATOM 0 HA LYS A 94 0.251 -15.698 0.372 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.565 -14.382 1.994 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.098 -13.673 2.638 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.666 -15.905 3.392 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.776 -16.637 2.718 1.00 0.55 H new ATOM 0 HD2 LYS A 94 2.197 -15.638 4.317 1.00 0.55 H new ATOM 0 HD3 LYS A 94 1.045 -14.376 4.703 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.446 -16.038 5.774 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.661 -17.327 5.347 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.830 -16.417 7.672 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.289 -16.510 6.808 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.508 -15.013 6.998 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.494 -14.063 1.150 1.00 0.27 N ATOM 1490 CA HIS A 95 -3.927 -14.219 1.396 1.00 0.28 C ATOM 1491 C HIS A 95 -4.711 -14.301 0.086 1.00 0.27 C ATOM 1492 O HIS A 95 -5.800 -13.740 -0.029 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.453 -13.062 2.256 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.905 -13.054 3.646 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.630 -13.454 4.749 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.690 -12.684 4.113 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.883 -13.329 5.832 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.703 -12.863 5.470 1.00 0.50 N ATOM 0 H HIS A 95 -2.187 -13.097 1.032 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.071 -15.155 1.935 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.205 -12.118 1.771 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.540 -13.120 2.303 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -1.863 -12.316 3.524 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -4.187 -13.567 6.841 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.925 -12.667 6.100 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.163 -15.018 -0.893 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.819 -15.175 -2.191 1.00 0.35 C ATOM 1509 C ALA A 96 -6.265 -15.639 -2.017 1.00 0.34 C ATOM 1510 O ALA A 96 -7.155 -15.232 -2.765 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.050 -16.157 -3.065 1.00 0.44 C ATOM 0 H ALA A 96 -3.267 -15.499 -0.813 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.828 -14.203 -2.685 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.554 -16.260 -4.026 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.037 -15.787 -3.224 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.008 -17.128 -2.571 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.490 -16.499 -1.022 1.00 0.34 N ATOM 1518 CA GLU A 97 -7.826 -17.012 -0.733 1.00 0.38 C ATOM 1519 C GLU A 97 -8.793 -15.883 -0.360 1.00 0.37 C ATOM 1520 O GLU A 97 -10.011 -16.031 -0.504 1.00 0.50 O ATOM 1521 CB GLU A 97 -7.768 -18.041 0.400 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.393 -19.443 -0.066 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.325 -19.974 -1.140 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.559 -19.950 -0.933 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -7.832 -20.411 -2.197 1.00 0.93 O ATOM 0 H GLU A 97 -5.761 -16.854 -0.403 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.197 -17.492 -1.638 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.044 -17.709 1.144 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -8.739 -18.079 0.895 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.373 -19.433 -0.449 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.406 -20.121 0.788 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.253 -14.766 0.121 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.060 -13.618 0.516 1.00 0.38 C ATOM 1534 C LYS A 98 -8.350 -12.319 0.128 1.00 0.37 C ATOM 1535 O LYS A 98 -7.979 -11.518 0.987 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.328 -13.651 2.027 1.00 0.48 C ATOM 1537 CG LYS A 98 -10.330 -14.715 2.446 1.00 0.60 C ATOM 1538 CD LYS A 98 -10.099 -15.175 3.879 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.438 -14.089 4.892 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.259 -14.558 6.296 1.00 0.89 N ATOM 0 H LYS A 98 -7.250 -14.633 0.247 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.016 -13.663 -0.006 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.388 -13.824 2.550 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.694 -12.674 2.344 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -11.341 -14.320 2.349 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -10.256 -15.569 1.773 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.706 -16.058 4.078 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -9.057 -15.471 4.001 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -9.804 -13.220 4.717 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.469 -13.767 4.746 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -10.500 -13.788 6.953 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -10.882 -15.372 6.472 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -9.269 -14.842 6.444 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.145 -12.128 -1.170 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.479 -10.928 -1.670 1.00 0.48 C ATOM 1556 C ASN A 99 -8.454 -9.754 -1.740 1.00 0.44 C ATOM 1557 O ASN A 99 -9.339 -9.718 -2.596 1.00 0.78 O ATOM 1558 CB ASN A 99 -6.841 -11.192 -3.047 1.00 0.64 C ATOM 1559 CG ASN A 99 -7.861 -11.493 -4.135 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -8.480 -12.557 -4.144 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.027 -10.572 -5.075 1.00 1.07 N ATOM 0 H ASN A 99 -8.429 -12.786 -1.895 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.684 -10.666 -0.972 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.253 -10.322 -3.340 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.150 -12.031 -2.965 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -8.685 -10.734 -5.837 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -7.497 -9.702 -5.035 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.292 -8.805 -0.824 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.150 -7.629 -0.772 1.00 0.32 C ATOM 1570 C TRP A 100 -8.342 -6.358 -1.019 1.00 0.32 C ATOM 1571 O TRP A 100 -7.204 -6.238 -0.559 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.868 -7.554 0.577 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.841 -8.675 0.786 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.597 -9.866 1.403 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.212 -8.712 0.369 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.732 -10.641 1.400 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.738 -9.955 0.772 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -13.048 -7.814 -0.304 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.060 -10.320 0.523 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.359 -8.178 -0.550 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.854 -9.422 -0.137 1.00 1.08 C ATOM 0 H TRP A 100 -7.570 -8.829 -0.104 1.00 0.33 H new ATOM 0 HA TRP A 100 -9.898 -7.715 -1.560 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.128 -7.568 1.377 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.397 -6.603 0.649 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.650 -10.158 1.832 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -11.812 -11.576 1.800 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.675 -6.853 -0.626 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.444 -11.278 0.840 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -15.012 -7.492 -1.069 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.883 -9.677 -0.344 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.939 -5.415 -1.742 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.277 -4.153 -2.071 1.00 0.29 C ATOM 1594 C PHE A 101 -8.043 -3.297 -0.827 1.00 0.29 C ATOM 1595 O PHE A 101 -8.928 -3.162 0.026 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.102 -3.358 -3.087 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.369 -4.096 -4.370 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.328 -4.661 -5.091 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.658 -4.217 -4.855 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.572 -5.335 -6.272 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.909 -4.891 -6.036 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.863 -5.451 -6.745 1.00 0.64 C ATOM 0 H PHE A 101 -9.885 -5.500 -2.114 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.309 -4.403 -2.505 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -10.054 -3.085 -2.632 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.580 -2.429 -3.316 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.316 -4.573 -4.725 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.478 -3.780 -4.305 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.753 -5.771 -6.825 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.921 -4.980 -6.404 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.056 -5.978 -7.668 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.853 -2.716 -0.743 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.479 -1.864 0.382 1.00 0.35 C ATOM 1614 C VAL A 102 -7.019 -0.434 0.188 1.00 0.55 C ATOM 1615 O VAL A 102 -8.140 -0.254 -0.298 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.941 -1.848 0.573 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.431 -3.239 0.920 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.238 -1.318 -0.673 1.00 0.82 C ATOM 0 H VAL A 102 -6.123 -2.820 -1.447 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.929 -2.278 1.284 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.713 -1.177 1.401 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.349 -3.208 1.050 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.898 -3.578 1.845 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.680 -3.929 0.114 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.160 -1.318 -0.510 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.477 -1.956 -1.524 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.574 -0.301 -0.876 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.246 0.582 0.584 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.686 1.956 0.428 1.00 0.46 C ATOM 1630 C GLY A 103 -6.998 2.608 1.755 1.00 0.41 C ATOM 1631 O GLY A 103 -8.004 2.275 2.394 1.00 0.59 O ATOM 0 H GLY A 103 -5.325 0.473 1.009 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -5.912 2.528 -0.083 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.573 1.982 -0.206 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.139 3.532 2.167 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.312 4.237 3.428 1.00 0.34 C ATOM 1637 C LEU A 104 -7.023 5.567 3.211 1.00 0.34 C ATOM 1638 O LEU A 104 -7.107 6.067 2.086 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.957 4.481 4.105 1.00 0.38 C ATOM 1640 CG LEU A 104 -3.943 5.278 3.273 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.208 6.285 4.144 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -2.950 4.343 2.598 1.00 0.66 C ATOM 0 H LEU A 104 -5.311 3.811 1.641 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.924 3.611 4.077 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.128 5.009 5.043 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.517 3.516 4.358 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.489 5.820 2.501 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.494 6.840 3.535 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -3.925 6.978 4.584 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.677 5.760 4.938 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.240 4.927 2.013 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.413 3.773 3.357 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.485 3.658 1.940 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.542 6.123 4.293 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.236 7.397 4.249 1.00 0.41 C ATOM 1656 C LYS A 105 -7.350 8.487 4.832 1.00 0.32 C ATOM 1657 O LYS A 105 -6.756 8.303 5.897 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.552 7.316 5.028 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.637 8.230 4.485 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.072 7.803 3.091 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.350 8.499 2.662 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.164 9.962 2.498 1.00 0.60 N ATOM 0 H LYS A 105 -7.494 5.705 5.222 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.463 7.638 3.210 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.912 6.287 5.010 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.363 7.570 6.071 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.496 8.217 5.156 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.270 9.256 4.456 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.279 8.028 2.378 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.222 6.724 3.072 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.697 8.071 1.721 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.128 8.314 3.402 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -13.087 10.414 2.338 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.731 10.355 3.358 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.544 10.144 1.683 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.275 9.618 4.133 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.454 10.758 4.556 1.00 0.46 C ATOM 1678 C LYS A 106 -6.480 10.960 6.076 1.00 0.51 C ATOM 1679 O LYS A 106 -5.451 11.256 6.679 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.923 12.040 3.856 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.400 12.349 4.062 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.780 13.691 3.460 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.193 14.097 3.855 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.460 15.536 3.593 1.00 1.43 N ATOM 0 H LYS A 106 -7.779 9.773 3.260 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.426 10.536 4.269 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.332 12.879 4.222 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.726 11.952 2.788 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.003 11.562 3.609 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.627 12.351 5.128 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.075 14.453 3.792 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.705 13.639 2.374 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.911 13.490 3.303 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.346 13.888 4.914 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -11.434 15.766 3.877 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -9.793 16.118 4.139 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.340 15.732 2.579 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.658 10.789 6.682 1.00 0.53 N ATOM 1699 CA ASN A 107 -7.822 10.953 8.130 1.00 0.70 C ATOM 1700 C ASN A 107 -6.806 10.120 8.918 1.00 0.65 C ATOM 1701 O ASN A 107 -6.415 10.490 10.027 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.241 10.556 8.552 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.548 10.925 9.996 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.304 10.144 10.915 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.098 12.112 10.203 1.00 1.38 N ATOM 0 H ASN A 107 -8.515 10.536 6.191 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.649 12.005 8.357 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -9.961 11.044 7.895 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.368 9.481 8.421 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.334 12.406 11.151 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.285 12.732 9.415 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.373 9.003 8.337 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.417 8.137 9.004 1.00 0.55 C ATOM 1714 C GLY A 108 -6.037 6.810 9.391 1.00 0.52 C ATOM 1715 O GLY A 108 -5.880 6.349 10.522 1.00 1.00 O ATOM 0 H GLY A 108 -6.668 8.683 7.415 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.564 7.963 8.348 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.036 8.634 9.896 1.00 0.55 H new ATOM 1719 N SER A 109 -6.749 6.203 8.450 1.00 0.52 N ATOM 1720 CA SER A 109 -7.408 4.925 8.680 1.00 0.56 C ATOM 1721 C SER A 109 -7.411 4.110 7.390 1.00 0.51 C ATOM 1722 O SER A 109 -7.604 4.666 6.306 1.00 0.81 O ATOM 1723 CB SER A 109 -8.846 5.158 9.166 1.00 0.75 C ATOM 1724 OG SER A 109 -8.913 6.270 10.049 1.00 0.97 O ATOM 0 H SER A 109 -6.885 6.580 7.512 1.00 0.52 H new ATOM 0 HA SER A 109 -6.866 4.372 9.447 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.499 5.329 8.310 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.211 4.265 9.673 1.00 0.75 H new ATOM 0 HG SER A 109 -9.839 6.399 10.343 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.178 2.809 7.498 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.156 1.939 6.330 1.00 0.38 C ATOM 1732 C CYS A 110 -8.439 1.118 6.250 1.00 0.36 C ATOM 1733 O CYS A 110 -8.794 0.413 7.194 1.00 0.54 O ATOM 1734 CB CYS A 110 -5.938 1.010 6.378 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.349 1.869 6.476 1.00 0.61 S ATOM 0 H CYS A 110 -7.002 2.333 8.383 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.086 2.563 5.439 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.034 0.349 7.239 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -5.942 0.379 5.489 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.386 0.997 6.514 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.135 1.212 5.123 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.378 0.478 4.942 1.00 0.44 C ATOM 1743 C LYS A 111 -10.222 -0.608 3.885 1.00 0.47 C ATOM 1744 O LYS A 111 -10.483 -0.387 2.698 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.523 1.423 4.572 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.848 2.443 5.653 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.055 1.788 7.013 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.383 2.817 8.086 1.00 0.94 C ATOM 1749 NZ LYS A 111 -12.216 2.275 9.462 1.00 1.27 N ATOM 0 H LYS A 111 -8.860 1.786 4.326 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.622 -0.001 5.891 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.265 1.950 3.653 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.415 0.833 4.361 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -11.039 3.170 5.720 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.747 2.992 5.375 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -12.863 1.059 6.947 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.155 1.241 7.295 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.738 3.687 7.960 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.410 3.159 7.955 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -12.451 3.013 10.157 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -12.850 1.461 9.594 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -11.230 1.972 9.599 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.753 -1.767 4.328 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.572 -2.919 3.455 1.00 0.36 C ATOM 1765 C ARG A 112 -10.547 -4.014 3.871 1.00 0.37 C ATOM 1766 O ARG A 112 -11.307 -4.526 3.053 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.124 -3.422 3.528 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.840 -4.645 2.658 1.00 0.42 C ATOM 1769 CD ARG A 112 -7.780 -5.928 3.481 1.00 0.55 C ATOM 1770 NE ARG A 112 -6.753 -5.871 4.531 1.00 0.81 N ATOM 1771 CZ ARG A 112 -6.490 -6.869 5.383 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -7.159 -8.022 5.307 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -5.559 -6.712 6.321 1.00 1.57 N ATOM 0 H ARG A 112 -9.488 -1.935 5.299 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.773 -2.632 2.423 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.456 -2.615 3.229 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.888 -3.665 4.564 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -8.616 -4.738 1.898 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.895 -4.506 2.134 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -8.753 -6.110 3.937 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.575 -6.771 2.821 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.205 -5.015 4.616 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -7.878 -8.148 4.595 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -6.951 -8.776 5.961 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -5.047 -5.832 6.390 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -5.357 -7.471 6.971 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.516 -4.357 5.157 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.409 -5.368 5.683 1.00 0.43 C ATOM 1789 C GLY A 113 -12.839 -4.869 5.842 1.00 0.41 C ATOM 1790 O GLY A 113 -13.772 -5.548 5.413 1.00 0.46 O ATOM 0 H GLY A 113 -9.883 -3.948 5.845 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.403 -6.232 5.019 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.038 -5.706 6.650 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.045 -3.677 6.454 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.378 -3.107 6.668 1.00 0.50 C ATOM 1796 C PRO A 114 -15.329 -3.379 5.505 1.00 0.41 C ATOM 1797 O PRO A 114 -16.364 -4.023 5.675 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.081 -1.610 6.796 1.00 0.62 C ATOM 1799 CG PRO A 114 -12.739 -1.555 7.440 1.00 0.71 C ATOM 1800 CD PRO A 114 -11.993 -2.792 6.999 1.00 0.52 C ATOM 0 HA PRO A 114 -14.882 -3.538 7.533 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.075 -1.121 5.822 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -14.834 -1.105 7.402 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.204 -0.654 7.142 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -12.832 -1.526 8.526 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.242 -2.556 6.245 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.471 -3.261 7.833 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.951 -2.904 4.325 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.757 -3.072 3.123 1.00 0.39 C ATOM 1810 C ARG A 115 -15.079 -2.360 1.960 1.00 0.44 C ATOM 1811 O ARG A 115 -15.237 -1.148 1.781 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.173 -2.521 3.344 1.00 0.51 C ATOM 1813 CG ARG A 115 -18.150 -2.830 2.215 1.00 0.57 C ATOM 1814 CD ARG A 115 -17.964 -1.906 1.023 1.00 0.69 C ATOM 1815 NE ARG A 115 -17.740 -0.520 1.437 1.00 0.90 N ATOM 1816 CZ ARG A 115 -18.707 0.395 1.600 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -19.976 0.095 1.330 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.396 1.617 2.035 1.00 1.47 N ATOM 0 H ARG A 115 -14.081 -2.394 4.175 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.843 -4.134 2.892 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.569 -2.931 4.273 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -17.114 -1.440 3.472 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -18.017 -3.863 1.895 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -19.171 -2.740 2.586 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -17.118 -2.248 0.427 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -18.845 -1.956 0.384 1.00 0.69 H new ATOM 0 HE ARG A 115 -16.779 -0.229 1.614 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.220 -0.837 0.996 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -20.704 0.798 1.457 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.426 1.853 2.242 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.129 2.316 2.160 1.00 1.47 H new ATOM 1832 N THR A 116 -14.300 -3.110 1.194 1.00 0.36 N ATOM 1833 CA THR A 116 -13.587 -2.559 0.054 1.00 0.38 C ATOM 1834 C THR A 116 -14.240 -3.016 -1.258 1.00 0.39 C ATOM 1835 O THR A 116 -14.550 -4.198 -1.429 1.00 0.51 O ATOM 1836 CB THR A 116 -12.087 -2.954 0.100 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.284 -1.938 -0.517 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.837 -4.295 -0.579 1.00 0.58 C ATOM 0 H THR A 116 -14.146 -4.107 1.344 1.00 0.36 H new ATOM 0 HA THR A 116 -13.646 -1.472 0.101 1.00 0.38 H new ATOM 0 HB THR A 116 -11.806 -3.050 1.149 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.336 -2.127 -0.355 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.776 -4.537 -0.526 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.412 -5.071 -0.074 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.145 -4.237 -1.623 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.460 -2.064 -2.165 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.090 -2.322 -3.466 1.00 0.39 C ATOM 1848 C HIS A 117 -15.622 -1.017 -4.046 1.00 0.36 C ATOM 1849 O HIS A 117 -15.305 -0.655 -5.178 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.242 -3.335 -3.354 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.969 -4.634 -4.053 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.894 -5.267 -4.859 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -14.871 -5.425 -4.056 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.376 -6.387 -5.322 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.151 -6.506 -4.851 1.00 0.89 N ATOM 0 H HIS A 117 -14.206 -1.087 -2.020 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.330 -2.746 -4.123 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.439 -3.533 -2.301 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.147 -2.891 -3.770 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -13.946 -5.239 -3.530 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.872 -7.089 -5.977 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.514 -7.278 -5.047 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.429 -0.316 -3.253 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.013 0.955 -3.668 1.00 0.41 C ATOM 1866 C TYR A 118 -16.035 2.094 -3.393 1.00 0.39 C ATOM 1867 O TYR A 118 -15.221 2.009 -2.469 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.328 1.211 -2.921 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.414 0.189 -3.195 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.374 -1.071 -2.609 1.00 0.75 C ATOM 1871 CD2 TYR A 118 -20.482 0.487 -4.031 1.00 0.79 C ATOM 1872 CE1 TYR A 118 -20.365 -2.000 -2.849 1.00 0.87 C ATOM 1873 CE2 TYR A 118 -21.480 -0.439 -4.273 1.00 0.92 C ATOM 1874 CZ TYR A 118 -21.417 -1.681 -3.679 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.413 -2.605 -3.914 1.00 1.05 O ATOM 0 H TYR A 118 -16.694 -0.610 -2.313 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.219 0.908 -4.737 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.126 1.230 -1.850 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.699 2.199 -3.192 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -18.553 -1.327 -1.955 1.00 0.75 H new ATOM 0 HD2 TYR A 118 -20.534 1.458 -4.500 1.00 0.79 H new ATOM 0 HE1 TYR A 118 -20.316 -2.975 -2.387 1.00 0.87 H new ATOM 0 HE2 TYR A 118 -22.305 -0.190 -4.924 1.00 0.92 H new ATOM 0 HH TYR A 118 -23.080 -2.220 -4.521 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.123 3.155 -4.187 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.236 4.286 -4.012 1.00 0.39 C ATOM 1887 C GLY A 119 -13.913 4.067 -4.712 1.00 0.37 C ATOM 1888 O GLY A 119 -13.197 3.110 -4.410 1.00 0.44 O ATOM 0 H GLY A 119 -16.794 3.251 -4.949 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.711 5.186 -4.403 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.063 4.453 -2.949 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.588 4.957 -5.644 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.349 4.862 -6.419 1.00 0.38 C ATOM 1894 C GLN A 120 -11.155 4.510 -5.534 1.00 0.37 C ATOM 1895 O GLN A 120 -10.275 3.759 -5.950 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.086 6.170 -7.169 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.107 6.452 -8.262 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.752 7.663 -9.097 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -12.036 7.555 -10.092 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.262 8.820 -8.710 1.00 1.00 N ATOM 0 H GLN A 120 -14.169 5.760 -5.885 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.475 4.056 -7.142 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.088 6.996 -6.457 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.091 6.133 -7.612 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.188 5.580 -8.911 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.086 6.604 -7.808 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.851 8.865 -7.878 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -13.066 9.667 -9.243 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.135 5.039 -4.310 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.047 4.762 -3.370 1.00 0.61 C ATOM 1911 C LYS A 121 -9.804 3.255 -3.245 1.00 0.58 C ATOM 1912 O LYS A 121 -8.677 2.819 -3.017 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.360 5.364 -1.986 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.125 4.426 -1.052 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.191 3.467 -0.316 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.890 2.164 0.047 1.00 1.34 C ATOM 1917 NZ LYS A 121 -9.964 1.187 0.684 1.00 1.70 N ATOM 0 H LYS A 121 -11.858 5.660 -3.946 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.141 5.227 -3.758 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.424 5.651 -1.507 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -10.941 6.276 -2.122 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -11.686 5.015 -0.326 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -11.852 3.854 -1.628 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.324 3.253 -0.941 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -9.820 3.945 0.590 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.717 2.374 0.726 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.320 1.722 -0.852 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.504 0.551 1.305 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.488 0.629 -0.053 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -9.253 1.698 1.245 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.867 2.468 -3.396 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.774 1.018 -3.284 1.00 0.65 C ATOM 1933 C ALA A 122 -9.899 0.420 -4.379 1.00 0.57 C ATOM 1934 O ALA A 122 -9.208 -0.572 -4.150 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.160 0.395 -3.318 1.00 0.77 C ATOM 0 H ALA A 122 -11.805 2.814 -3.597 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.304 0.792 -2.327 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -12.074 -0.688 -3.233 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.752 0.778 -2.487 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.650 0.648 -4.258 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.915 1.022 -5.566 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.126 0.504 -6.677 1.00 0.48 C ATOM 1943 C ILE A 123 -8.627 1.631 -7.586 1.00 0.41 C ATOM 1944 O ILE A 123 -8.907 1.647 -8.788 1.00 0.61 O ATOM 1945 CB ILE A 123 -9.912 -0.535 -7.525 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.180 -1.020 -6.806 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.019 -1.721 -7.845 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.346 -0.056 -6.893 1.00 0.79 C ATOM 0 H ILE A 123 -10.459 1.858 -5.780 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.269 0.001 -6.229 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.220 -0.043 -8.447 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.482 -1.978 -7.230 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.945 -1.196 -5.756 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -9.576 -2.446 -8.439 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.150 -1.381 -8.408 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.690 -2.189 -6.917 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.202 -0.471 -6.361 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.066 0.896 -6.442 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.610 0.102 -7.939 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.892 2.575 -7.006 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.339 3.693 -7.768 1.00 0.29 C ATOM 1962 C LEU A 124 -6.127 4.289 -7.048 1.00 0.26 C ATOM 1963 O LEU A 124 -6.133 5.457 -6.642 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.405 4.769 -8.009 1.00 0.33 C ATOM 1965 CG LEU A 124 -8.034 5.829 -9.055 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.785 5.182 -10.412 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.126 6.885 -9.155 1.00 0.58 C ATOM 0 H LEU A 124 -7.665 2.589 -6.012 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.012 3.315 -8.737 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.328 4.281 -8.321 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.613 5.271 -7.064 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.113 6.317 -8.737 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.523 5.951 -11.139 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.966 4.467 -10.329 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.687 4.665 -10.739 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.846 7.628 -9.901 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -10.064 6.412 -9.448 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.251 7.371 -8.188 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.089 3.473 -6.888 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.862 3.903 -6.222 1.00 0.23 C ATOM 1981 C PHE A 125 -2.835 4.359 -7.252 1.00 0.17 C ATOM 1982 O PHE A 125 -2.738 3.776 -8.336 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.278 2.767 -5.374 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.297 2.072 -4.514 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.932 2.750 -3.486 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.620 0.742 -4.737 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.872 2.116 -2.701 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.559 0.103 -3.953 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.185 0.789 -2.933 1.00 0.54 C ATOM 0 H PHE A 125 -5.073 2.506 -7.212 1.00 0.20 H new ATOM 0 HA PHE A 125 -4.106 4.738 -5.566 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.812 2.035 -6.034 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.490 3.169 -4.737 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.688 3.785 -3.298 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.131 0.200 -5.533 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.364 2.656 -1.905 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -5.803 -0.933 -4.138 1.00 0.51 H new ATOM 0 HZ PHE A 125 -6.918 0.291 -2.317 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.071 5.393 -6.910 1.00 0.18 N ATOM 2000 CA LEU A 126 -1.056 5.928 -7.809 1.00 0.19 C ATOM 2001 C LEU A 126 0.338 5.801 -7.192 1.00 0.20 C ATOM 2002 O LEU A 126 0.809 6.707 -6.497 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.361 7.393 -8.141 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.429 8.039 -9.171 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.603 7.390 -10.539 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.685 9.537 -9.250 1.00 0.59 C ATOM 0 H LEU A 126 -2.137 5.877 -6.015 1.00 0.18 H new ATOM 0 HA LEU A 126 -1.074 5.347 -8.731 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.385 7.459 -8.510 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.316 7.974 -7.220 1.00 0.32 H new ATOM 0 HG LEU A 126 0.601 7.881 -8.851 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.068 7.864 -11.255 1.00 0.44 H new ATOM 0 HD12 LEU A 126 -0.368 6.328 -10.470 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.634 7.513 -10.872 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.015 9.982 -9.986 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.719 9.714 -9.546 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.504 9.989 -8.275 1.00 0.59 H new ATOM 2018 N PRO A 127 1.000 4.653 -7.399 1.00 0.21 N ATOM 2019 CA PRO A 127 2.344 4.417 -6.889 1.00 0.29 C ATOM 2020 C PRO A 127 3.412 4.900 -7.869 1.00 0.25 C ATOM 2021 O PRO A 127 3.131 5.104 -9.052 1.00 0.38 O ATOM 2022 CB PRO A 127 2.380 2.901 -6.748 1.00 0.42 C ATOM 2023 CG PRO A 127 1.510 2.398 -7.851 1.00 0.43 C ATOM 2024 CD PRO A 127 0.488 3.478 -8.132 1.00 0.32 C ATOM 0 HA PRO A 127 2.550 4.951 -5.961 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.397 2.519 -6.840 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.007 2.585 -5.774 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.101 2.184 -8.742 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.020 1.468 -7.563 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.403 3.679 -9.200 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.503 3.190 -7.782 1.00 0.32 H new ATOM 2032 N LEU A 128 4.633 5.089 -7.379 1.00 0.22 N ATOM 2033 CA LEU A 128 5.728 5.545 -8.233 1.00 0.21 C ATOM 2034 C LEU A 128 6.166 4.425 -9.179 1.00 0.23 C ATOM 2035 O LEU A 128 6.243 3.265 -8.775 1.00 0.26 O ATOM 2036 CB LEU A 128 6.917 6.014 -7.387 1.00 0.23 C ATOM 2037 CG LEU A 128 7.823 7.053 -8.056 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.040 8.315 -8.398 1.00 0.38 C ATOM 2039 CD2 LEU A 128 8.997 7.387 -7.155 1.00 0.37 C ATOM 0 H LEU A 128 4.890 4.936 -6.404 1.00 0.22 H new ATOM 0 HA LEU A 128 5.371 6.388 -8.825 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.537 6.433 -6.455 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.520 5.145 -7.123 1.00 0.23 H new ATOM 0 HG LEU A 128 8.204 6.627 -8.984 1.00 0.30 H new ATOM 0 HD11 LEU A 128 7.704 9.038 -8.872 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.228 8.066 -9.081 1.00 0.38 H new ATOM 0 HD13 LEU A 128 6.627 8.745 -7.486 1.00 0.38 H new ATOM 0 HD21 LEU A 128 9.632 8.126 -7.644 1.00 0.37 H new ATOM 0 HD22 LEU A 128 8.629 7.791 -6.212 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.575 6.484 -6.961 1.00 0.37 H new ATOM 2051 N PRO A 129 6.460 4.765 -10.450 1.00 0.27 N ATOM 2052 CA PRO A 129 6.881 3.792 -11.467 1.00 0.33 C ATOM 2053 C PRO A 129 7.893 2.771 -10.946 1.00 0.33 C ATOM 2054 O PRO A 129 7.770 1.577 -11.228 1.00 0.67 O ATOM 2055 CB PRO A 129 7.515 4.674 -12.540 1.00 0.45 C ATOM 2056 CG PRO A 129 6.760 5.953 -12.456 1.00 0.47 C ATOM 2057 CD PRO A 129 6.397 6.133 -11.003 1.00 0.30 C ATOM 0 HA PRO A 129 6.045 3.187 -11.816 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.578 4.826 -12.353 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.427 4.224 -13.529 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.365 6.786 -12.812 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.866 5.919 -13.079 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.094 6.801 -10.497 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.402 6.564 -10.890 1.00 0.30 H new ATOM 2065 N VAL A 130 8.884 3.242 -10.186 1.00 0.37 N ATOM 2066 CA VAL A 130 9.916 2.365 -9.632 1.00 0.35 C ATOM 2067 C VAL A 130 9.290 1.132 -8.975 1.00 0.38 C ATOM 2068 O VAL A 130 8.752 1.203 -7.869 1.00 0.57 O ATOM 2069 CB VAL A 130 10.820 3.108 -8.618 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.651 4.165 -9.330 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.999 3.740 -7.499 1.00 0.44 C ATOM 0 H VAL A 130 8.993 4.226 -9.941 1.00 0.37 H new ATOM 0 HA VAL A 130 10.542 2.042 -10.464 1.00 0.35 H new ATOM 0 HB VAL A 130 11.490 2.376 -8.166 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.282 4.680 -8.606 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.278 3.688 -10.084 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.989 4.885 -9.811 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.664 4.253 -6.805 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.295 4.456 -7.924 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.450 2.963 -6.967 1.00 0.44 H new ATOM 2081 N SER A 131 9.348 0.009 -9.679 1.00 0.34 N ATOM 2082 CA SER A 131 8.776 -1.238 -9.191 1.00 0.40 C ATOM 2083 C SER A 131 9.515 -2.439 -9.791 1.00 0.39 C ATOM 2084 O SER A 131 10.582 -2.276 -10.389 1.00 0.47 O ATOM 2085 CB SER A 131 7.288 -1.288 -9.556 1.00 0.50 C ATOM 2086 OG SER A 131 6.684 -0.006 -9.418 1.00 0.88 O ATOM 0 H SER A 131 9.789 -0.063 -10.596 1.00 0.34 H new ATOM 0 HA SER A 131 8.883 -1.283 -8.107 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.173 -1.639 -10.581 1.00 0.50 H new ATOM 0 HB3 SER A 131 6.777 -2.006 -8.914 1.00 0.50 H new ATOM 0 HG SER A 131 6.959 0.567 -10.164 1.00 0.88 H new ATOM 2092 N SER A 132 8.955 -3.635 -9.627 1.00 0.48 N ATOM 2093 CA SER A 132 9.561 -4.848 -10.164 1.00 0.54 C ATOM 2094 C SER A 132 8.758 -5.378 -11.351 1.00 0.49 C ATOM 2095 O SER A 132 7.573 -5.068 -11.501 1.00 0.96 O ATOM 2096 CB SER A 132 9.656 -5.922 -9.077 1.00 0.76 C ATOM 2097 OG SER A 132 10.567 -5.548 -8.053 1.00 1.03 O ATOM 0 H SER A 132 8.080 -3.789 -9.125 1.00 0.48 H new ATOM 0 HA SER A 132 10.565 -4.601 -10.508 1.00 0.54 H new ATOM 0 HB2 SER A 132 8.670 -6.091 -8.644 1.00 0.76 H new ATOM 0 HB3 SER A 132 9.975 -6.865 -9.522 1.00 0.76 H new ATOM 0 HG SER A 132 10.829 -4.612 -8.175 1.00 1.03 H new ATOM 2103 N ASP A 133 9.413 -6.173 -12.194 1.00 0.56 N ATOM 2104 CA ASP A 133 8.768 -6.755 -13.367 1.00 0.58 C ATOM 2105 C ASP A 133 9.596 -7.918 -13.903 1.00 0.63 C ATOM 2106 O ASP A 133 10.811 -7.731 -14.119 1.00 0.80 O ATOM 2107 CB ASP A 133 8.580 -5.691 -14.455 1.00 0.80 C ATOM 2108 CG ASP A 133 7.951 -6.247 -15.717 1.00 0.92 C ATOM 2109 OD1 ASP A 133 6.723 -6.467 -15.725 1.00 1.06 O ATOM 2110 OD2 ASP A 133 8.678 -6.451 -16.710 1.00 1.07 O ATOM 2111 OXT ASP A 133 9.039 -9.019 -14.094 1.00 0.75 O ATOM 0 H ASP A 133 10.394 -6.429 -12.085 1.00 0.56 H new ATOM 0 HA ASP A 133 7.787 -7.130 -13.074 1.00 0.58 H new ATOM 0 HB2 ASP A 133 7.955 -4.887 -14.067 1.00 0.80 H new ATOM 0 HB3 ASP A 133 9.548 -5.253 -14.699 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.323 4.370 3.735 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.264 4.119 2.224 1.00 3.47 C HETATM 2119 C3 IHP A 134 -16.973 5.275 1.469 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.248 6.586 1.783 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.279 6.860 3.296 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.622 5.704 4.056 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.660 3.311 4.452 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.447 2.426 5.562 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.676 1.773 5.049 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.787 3.431 6.767 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.398 1.352 6.140 1.00 5.52 O HETATM 2128 O12 IHP A 134 -14.928 4.021 1.766 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.394 2.676 1.061 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.427 1.997 1.954 1.00 4.60 O HETATM 2131 O32 IHP A 134 -15.684 1.761 0.780 1.00 4.76 O HETATM 2132 O42 IHP A 134 -13.735 3.133 -0.319 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.919 5.045 0.062 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.271 4.952 -0.811 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.146 6.098 -0.470 1.00 5.53 O HETATM 2136 O33 IHP A 134 -18.946 3.542 -0.426 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.876 4.959 -2.368 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.891 7.669 1.110 1.00 4.60 O HETATM 2139 P4 IHP A 134 -16.064 8.549 0.044 1.00 5.38 P HETATM 2140 O24 IHP A 134 -15.887 7.771 -1.204 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.666 8.857 0.772 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.846 9.928 -0.203 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.579 8.069 3.583 1.00 4.36 O HETATM 2144 P5 IHP A 134 -16.314 9.302 4.306 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.479 9.733 3.501 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.767 8.776 5.764 1.00 5.32 O HETATM 2147 O45 IHP A 134 -15.235 10.477 4.471 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.669 5.981 5.459 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.329 6.146 6.332 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.631 6.431 7.761 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.562 7.373 5.627 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.456 4.815 6.169 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.582 5.610 3.743 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.318 6.954 3.612 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.215 6.498 1.447 1.00 3.79 H new HETATM 0 H3 IHP A 134 -18.015 5.328 1.786 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.769 3.174 2.026 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.368 4.406 4.042 1.00 3.43 H new