USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot -25:sc= 1.12 USER MOD Set 1.2: A 102 HIS : no HD1:sc= -0.206 K(o=0.92,f=0.27) USER MOD Set 2.1: A 61 SER OG : rot -72:sc= 1.3 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -1.59 K(o=0.81,f=1.7) USER MOD Set 2.3: A 66 SER OG : rot 180:sc= 1.09 USER MOD Set 3.1: A 40 GLN : amide:sc= -0.297 K(o=0.85,f=0.22) USER MOD Set 3.2: A 47 MET CE :methyl -161:sc= -0.0647 (180deg=-0.446) USER MOD Set 3.3: A 49 SER OG : rot 89:sc= 1.21 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -0.0586 X(o=-0.59,f=-0.82) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -0.531 K(o=-0.59,f=-3.6!) USER MOD Set 5.1: A 3 HIS : no HE2:sc= -2.49 K(o=-2.9,f=-4.9) USER MOD Set 5.2: A 4 MET CE :methyl -171:sc= -0.366 (180deg=-0.00364) USER MOD Set 5.3: A 28 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -120:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0.993) USER MOD Single : A 23 THR OG1 : rot 170:sc= 0 USER MOD Single : A 33 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 36 ASN : amide:sc= -0.0242 K(o=-0.024,f=-2.1) USER MOD Single : A 41 MET CE :methyl -162:sc= -1.73 (180deg=-3.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.316 K(o=-0.32,f=-0.89) USER MOD Single : A 45 THR OG1 : rot -1:sc= 0.205 USER MOD Single : A 50 ASN : amide:sc= -0.0821 X(o=-0.082,f=-0.086) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0683 K(o=-0.068,f=-0.65) USER MOD Single : A 83 GLN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.482 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : A 103 TYR OH : rot 120:sc= -0.0236 USER MOD Single : A 107 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.11) USER MOD Single : A 108 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.1) USER MOD Single : A 109 MET CE :methyl -142:sc= -0.477 (180deg=-2.94!) USER MOD Single : A 113 ASN : amide:sc= 1.79 K(o=1.8,f=-0.43) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -111:sc= 0.538 (180deg=-0.0214) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.313 -2.590 11.752 1.00 0.00 N ATOM 2 CA GLY A 1 -14.231 -2.630 10.770 1.00 0.00 C ATOM 3 C GLY A 1 -13.789 -4.054 10.476 1.00 0.00 C ATOM 4 O GLY A 1 -12.757 -4.484 10.989 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.587 -1.602 11.926 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.132 -3.117 11.388 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.991 -3.022 12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.560 -2.154 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.382 -2.055 11.140 1.00 0.00 H new ATOM 8 N SER A 2 -14.523 -4.796 9.637 1.00 0.00 N ATOM 9 CA SER A 2 -14.063 -6.087 9.127 1.00 0.00 C ATOM 10 C SER A 2 -12.909 -5.932 8.130 1.00 0.00 C ATOM 11 O SER A 2 -12.112 -6.861 8.008 1.00 0.00 O ATOM 12 CB SER A 2 -15.220 -6.816 8.432 1.00 0.00 C ATOM 13 OG SER A 2 -16.245 -7.150 9.358 1.00 0.00 O ATOM 0 H SER A 2 -15.444 -4.519 9.297 1.00 0.00 H new ATOM 0 HA SER A 2 -13.706 -6.663 9.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.630 -6.185 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.848 -7.722 7.954 1.00 0.00 H new ATOM 0 HG SER A 2 -16.971 -7.612 8.890 1.00 0.00 H new ATOM 19 N HIS A 3 -12.839 -4.787 7.439 1.00 0.00 N ATOM 20 CA HIS A 3 -12.080 -4.407 6.246 1.00 0.00 C ATOM 21 C HIS A 3 -12.098 -5.435 5.112 1.00 0.00 C ATOM 22 O HIS A 3 -12.542 -5.064 4.027 1.00 0.00 O ATOM 23 CB HIS A 3 -10.692 -3.839 6.578 1.00 0.00 C ATOM 24 CG HIS A 3 -9.622 -4.879 6.699 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.414 -5.701 7.780 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.730 -5.227 5.724 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.444 -6.560 7.447 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.002 -6.305 6.206 1.00 0.00 N ATOM 0 H HIS A 3 -13.397 -3.993 7.754 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.635 -3.573 5.815 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.407 -3.128 5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.752 -3.284 7.514 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -9.908 -5.663 8.672 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.614 -4.753 4.761 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.070 -7.346 8.086 1.00 0.00 H new ATOM 36 N MET A 4 -11.718 -6.694 5.353 1.00 0.00 N ATOM 37 CA MET A 4 -11.488 -7.769 4.397 1.00 0.00 C ATOM 38 C MET A 4 -12.605 -7.810 3.370 1.00 0.00 C ATOM 39 O MET A 4 -12.314 -7.808 2.178 1.00 0.00 O ATOM 40 CB MET A 4 -11.448 -9.122 5.131 1.00 0.00 C ATOM 41 CG MET A 4 -10.257 -9.328 6.071 1.00 0.00 C ATOM 42 SD MET A 4 -8.939 -10.398 5.433 1.00 0.00 S ATOM 43 CE MET A 4 -7.992 -9.265 4.382 1.00 0.00 C ATOM 0 H MET A 4 -11.550 -7.009 6.309 1.00 0.00 H new ATOM 0 HA MET A 4 -10.537 -7.585 3.897 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.367 -9.230 5.708 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.443 -9.919 4.387 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.829 -8.354 6.306 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.623 -9.750 7.007 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.256 -9.829 3.809 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.668 -8.752 3.698 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.481 -8.531 5.006 1.00 0.00 H new ATOM 53 N GLU A 5 -13.860 -7.795 3.824 1.00 0.00 N ATOM 54 CA GLU A 5 -15.037 -8.042 3.001 1.00 0.00 C ATOM 55 C GLU A 5 -15.095 -7.110 1.778 1.00 0.00 C ATOM 56 O GLU A 5 -15.634 -7.478 0.737 1.00 0.00 O ATOM 57 CB GLU A 5 -16.352 -7.884 3.795 1.00 0.00 C ATOM 58 CG GLU A 5 -16.340 -8.140 5.309 1.00 0.00 C ATOM 59 CD GLU A 5 -16.118 -9.591 5.721 1.00 0.00 C ATOM 60 OE1 GLU A 5 -14.972 -10.075 5.632 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.062 -10.206 6.275 1.00 0.00 O ATOM 0 H GLU A 5 -14.087 -7.605 4.800 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.941 -9.075 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.713 -6.868 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.087 -8.557 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.558 -7.528 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.289 -7.802 5.726 1.00 0.00 H new ATOM 68 N VAL A 6 -14.566 -5.889 1.902 1.00 0.00 N ATOM 69 CA VAL A 6 -14.540 -4.894 0.825 1.00 0.00 C ATOM 70 C VAL A 6 -13.661 -5.377 -0.331 1.00 0.00 C ATOM 71 O VAL A 6 -14.048 -5.259 -1.492 1.00 0.00 O ATOM 72 CB VAL A 6 -14.072 -3.532 1.393 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.821 -2.452 0.333 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.141 -3.013 2.353 1.00 0.00 C ATOM 0 H VAL A 6 -14.137 -5.559 2.767 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.543 -4.760 0.421 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.116 -3.719 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.497 -1.532 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.046 -2.791 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.741 -2.264 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.827 -2.053 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.082 -2.888 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.278 -3.727 3.165 1.00 0.00 H new ATOM 84 N PHE A 7 -12.487 -5.903 0.000 1.00 0.00 N ATOM 85 CA PHE A 7 -11.396 -6.267 -0.901 1.00 0.00 C ATOM 86 C PHE A 7 -11.404 -7.758 -1.267 1.00 0.00 C ATOM 87 O PHE A 7 -10.659 -8.199 -2.140 1.00 0.00 O ATOM 88 CB PHE A 7 -10.095 -5.964 -0.137 1.00 0.00 C ATOM 89 CG PHE A 7 -9.956 -4.568 0.457 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.966 -3.436 -0.379 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.766 -4.397 1.843 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.727 -2.155 0.143 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.530 -3.113 2.369 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.487 -1.996 1.517 1.00 0.00 C ATOM 0 H PHE A 7 -12.255 -6.101 0.973 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.495 -5.708 -1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.000 -6.688 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.257 -6.130 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.160 -3.554 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.802 -5.252 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.728 -1.295 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.381 -2.986 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.270 -1.017 1.919 1.00 0.00 H new ATOM 104 N ALA A 8 -12.248 -8.547 -0.610 1.00 0.00 N ATOM 105 CA ALA A 8 -12.156 -9.995 -0.490 1.00 0.00 C ATOM 106 C ALA A 8 -12.390 -10.694 -1.812 1.00 0.00 C ATOM 107 O ALA A 8 -12.211 -11.901 -1.918 1.00 0.00 O ATOM 108 CB ALA A 8 -13.240 -10.472 0.477 1.00 0.00 C ATOM 0 H ALA A 8 -13.060 -8.170 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.152 -10.234 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.185 -11.556 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.088 -10.008 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.220 -10.193 0.091 1.00 0.00 H new ATOM 114 N GLU A 9 -12.880 -9.957 -2.794 1.00 0.00 N ATOM 115 CA GLU A 9 -13.394 -10.436 -4.053 1.00 0.00 C ATOM 116 C GLU A 9 -12.458 -10.013 -5.166 1.00 0.00 C ATOM 117 O GLU A 9 -12.350 -10.737 -6.157 1.00 0.00 O ATOM 118 CB GLU A 9 -14.791 -9.826 -4.224 1.00 0.00 C ATOM 119 CG GLU A 9 -15.692 -10.096 -3.016 1.00 0.00 C ATOM 120 CD GLU A 9 -17.174 -9.915 -3.328 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.560 -8.841 -3.848 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.947 -10.837 -2.978 1.00 0.00 O ATOM 0 H GLU A 9 -12.930 -8.941 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.463 -11.523 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.700 -8.750 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.257 -10.235 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.522 -11.113 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.412 -9.425 -2.204 1.00 0.00 H new ATOM 129 N TYR A 10 -11.733 -8.905 -4.983 1.00 0.00 N ATOM 130 CA TYR A 10 -10.811 -8.447 -6.006 1.00 0.00 C ATOM 131 C TYR A 10 -9.633 -9.429 -6.004 1.00 0.00 C ATOM 132 O TYR A 10 -9.088 -9.757 -7.057 1.00 0.00 O ATOM 133 CB TYR A 10 -10.336 -7.011 -5.744 1.00 0.00 C ATOM 134 CG TYR A 10 -8.997 -6.792 -5.083 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.838 -6.934 -5.868 1.00 0.00 C ATOM 136 CD2 TYR A 10 -8.888 -6.379 -3.750 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.572 -6.772 -5.296 1.00 0.00 C ATOM 138 CE2 TYR A 10 -7.624 -6.248 -3.158 1.00 0.00 C ATOM 139 CZ TYR A 10 -6.467 -6.494 -3.919 1.00 0.00 C ATOM 140 OH TYR A 10 -5.248 -6.455 -3.330 1.00 0.00 O ATOM 0 H TYR A 10 -11.771 -8.322 -4.147 1.00 0.00 H new ATOM 0 HA TYR A 10 -11.302 -8.424 -6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.319 -6.490 -6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -11.091 -6.522 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.926 -7.169 -6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.778 -6.161 -3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.684 -6.859 -5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.539 -5.959 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.206 -7.129 -2.620 1.00 0.00 H new ATOM 150 N LEU A 11 -9.294 -9.930 -4.809 1.00 0.00 N ATOM 151 CA LEU A 11 -8.298 -10.989 -4.594 1.00 0.00 C ATOM 152 C LEU A 11 -8.512 -12.193 -5.513 1.00 0.00 C ATOM 153 O LEU A 11 -7.555 -12.642 -6.147 1.00 0.00 O ATOM 154 CB LEU A 11 -8.229 -11.447 -3.117 1.00 0.00 C ATOM 155 CG LEU A 11 -7.183 -10.769 -2.202 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.867 -10.436 -2.920 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.710 -9.510 -1.515 1.00 0.00 C ATOM 0 H LEU A 11 -9.716 -9.601 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.339 -10.539 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.212 -11.294 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.038 -12.520 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.978 -11.521 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.180 -9.963 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.420 -11.353 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.066 -9.756 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.927 -9.083 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.008 -8.782 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.571 -9.766 -0.897 1.00 0.00 H new ATOM 169 N LYS A 12 -9.732 -12.722 -5.642 1.00 0.00 N ATOM 170 CA LYS A 12 -10.011 -13.814 -6.566 1.00 0.00 C ATOM 171 C LYS A 12 -9.752 -13.454 -8.025 1.00 0.00 C ATOM 172 O LYS A 12 -9.474 -14.343 -8.831 1.00 0.00 O ATOM 173 CB LYS A 12 -11.472 -14.217 -6.416 1.00 0.00 C ATOM 174 CG LYS A 12 -11.740 -14.962 -5.117 1.00 0.00 C ATOM 175 CD LYS A 12 -12.138 -14.160 -3.885 1.00 0.00 C ATOM 176 CE LYS A 12 -13.663 -14.031 -3.874 1.00 0.00 C ATOM 177 NZ LYS A 12 -14.188 -13.735 -2.525 1.00 0.00 N ATOM 0 H LYS A 12 -10.544 -12.406 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.334 -14.630 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.097 -13.325 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.760 -14.846 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.530 -15.688 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.842 -15.527 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.792 -14.657 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.673 -13.174 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.964 -13.240 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.107 -14.957 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.178 -13.424 -2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.137 -14.591 -1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.620 -12.981 -2.089 1.00 0.00 H new ATOM 191 N GLY A 13 -9.861 -12.174 -8.359 1.00 0.00 N ATOM 192 CA GLY A 13 -9.576 -11.651 -9.686 1.00 0.00 C ATOM 193 C GLY A 13 -8.078 -11.531 -9.973 1.00 0.00 C ATOM 194 O GLY A 13 -7.710 -11.301 -11.125 1.00 0.00 O ATOM 0 H GLY A 13 -10.157 -11.456 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.032 -12.301 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.040 -10.670 -9.791 1.00 0.00 H new ATOM 198 N ILE A 14 -7.198 -11.651 -8.971 1.00 0.00 N ATOM 199 CA ILE A 14 -5.766 -11.793 -9.194 1.00 0.00 C ATOM 200 C ILE A 14 -5.534 -13.231 -9.649 1.00 0.00 C ATOM 201 O ILE A 14 -5.704 -14.172 -8.870 1.00 0.00 O ATOM 202 CB ILE A 14 -4.935 -11.460 -7.936 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.287 -10.063 -7.386 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.435 -11.575 -8.304 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.507 -9.728 -6.113 1.00 0.00 C ATOM 0 H ILE A 14 -7.465 -11.652 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.435 -11.082 -9.951 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.167 -12.166 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.077 -9.312 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.356 -10.015 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.827 -11.344 -7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.219 -12.590 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.202 -10.872 -9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.789 -8.735 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.737 -10.463 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.438 -9.748 -6.325 1.00 0.00 H new ATOM 217 N ASP A 15 -5.118 -13.400 -10.904 1.00 0.00 N ATOM 218 CA ASP A 15 -4.860 -14.720 -11.492 1.00 0.00 C ATOM 219 C ASP A 15 -3.511 -15.316 -11.084 1.00 0.00 C ATOM 220 O ASP A 15 -3.140 -16.419 -11.477 1.00 0.00 O ATOM 221 CB ASP A 15 -4.904 -14.613 -13.009 1.00 0.00 C ATOM 222 CG ASP A 15 -5.033 -15.990 -13.680 1.00 0.00 C ATOM 223 OD1 ASP A 15 -5.719 -16.895 -13.144 1.00 0.00 O ATOM 224 OD2 ASP A 15 -4.440 -16.164 -14.769 1.00 0.00 O ATOM 0 H ASP A 15 -4.949 -12.625 -11.545 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.636 -15.385 -11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.745 -13.986 -13.304 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.999 -14.120 -13.364 1.00 0.00 H new ATOM 229 N HIS A 16 -2.743 -14.532 -10.340 1.00 0.00 N ATOM 230 CA HIS A 16 -1.402 -14.809 -9.849 1.00 0.00 C ATOM 231 C HIS A 16 -1.417 -15.266 -8.373 1.00 0.00 C ATOM 232 O HIS A 16 -1.228 -14.435 -7.479 1.00 0.00 O ATOM 233 CB HIS A 16 -0.531 -13.567 -10.093 1.00 0.00 C ATOM 234 CG HIS A 16 0.338 -13.621 -11.327 1.00 0.00 C ATOM 235 ND1 HIS A 16 0.951 -14.724 -11.898 1.00 0.00 N ATOM 236 CD2 HIS A 16 0.750 -12.516 -12.017 1.00 0.00 C ATOM 237 CE1 HIS A 16 1.714 -14.280 -12.913 1.00 0.00 C ATOM 238 NE2 HIS A 16 1.593 -12.950 -13.047 1.00 0.00 N ATOM 0 H HIS A 16 -3.069 -13.613 -10.041 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.968 -15.646 -10.395 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.182 -12.695 -10.165 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.109 -13.416 -9.224 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.475 -11.493 -11.806 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.337 -14.907 -13.534 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.031 -12.368 -13.761 1.00 0.00 H new ATOM 246 N PRO A 17 -1.610 -16.568 -8.082 1.00 0.00 N ATOM 247 CA PRO A 17 -1.654 -17.077 -6.711 1.00 0.00 C ATOM 248 C PRO A 17 -0.319 -16.855 -5.990 1.00 0.00 C ATOM 249 O PRO A 17 -0.294 -16.488 -4.818 1.00 0.00 O ATOM 250 CB PRO A 17 -1.998 -18.566 -6.839 1.00 0.00 C ATOM 251 CG PRO A 17 -1.440 -18.938 -8.214 1.00 0.00 C ATOM 252 CD PRO A 17 -1.694 -17.674 -9.026 1.00 0.00 C ATOM 0 HA PRO A 17 -2.395 -16.553 -6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.538 -19.155 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.073 -18.737 -6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.379 -19.185 -8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.950 -19.803 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.956 -17.566 -9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.674 -17.707 -9.503 1.00 0.00 H new ATOM 260 N ASP A 18 0.792 -17.028 -6.706 1.00 0.00 N ATOM 261 CA ASP A 18 2.150 -17.023 -6.157 1.00 0.00 C ATOM 262 C ASP A 18 2.643 -15.595 -5.916 1.00 0.00 C ATOM 263 O ASP A 18 3.828 -15.387 -5.668 1.00 0.00 O ATOM 264 CB ASP A 18 3.089 -17.822 -7.083 1.00 0.00 C ATOM 265 CG ASP A 18 2.962 -19.325 -6.826 1.00 0.00 C ATOM 266 OD1 ASP A 18 1.825 -19.854 -6.890 1.00 0.00 O ATOM 267 OD2 ASP A 18 3.972 -20.010 -6.562 1.00 0.00 O ATOM 0 H ASP A 18 0.772 -17.180 -7.714 1.00 0.00 H new ATOM 0 HA ASP A 18 2.145 -17.513 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.850 -17.606 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.120 -17.507 -6.921 1.00 0.00 H new ATOM 272 N HIS A 19 1.752 -14.601 -6.009 1.00 0.00 N ATOM 273 CA HIS A 19 2.076 -13.195 -5.810 1.00 0.00 C ATOM 274 C HIS A 19 1.022 -12.498 -4.935 1.00 0.00 C ATOM 275 O HIS A 19 1.369 -11.674 -4.089 1.00 0.00 O ATOM 276 CB HIS A 19 2.241 -12.535 -7.187 1.00 0.00 C ATOM 277 CG HIS A 19 3.070 -13.368 -8.148 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.577 -14.273 -9.060 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.420 -13.576 -8.072 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.598 -15.020 -9.506 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.751 -14.608 -8.960 1.00 0.00 N ATOM 0 H HIS A 19 0.769 -14.761 -6.229 1.00 0.00 H new ATOM 0 HA HIS A 19 3.015 -13.099 -5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.256 -12.362 -7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.711 -11.559 -7.062 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.110 -13.039 -7.438 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.504 -15.837 -10.206 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.684 -14.973 -9.153 1.00 0.00 H new ATOM 289 N ARG A 20 -0.272 -12.816 -5.099 1.00 0.00 N ATOM 290 CA ARG A 20 -1.340 -12.140 -4.354 1.00 0.00 C ATOM 291 C ARG A 20 -1.207 -12.219 -2.839 1.00 0.00 C ATOM 292 O ARG A 20 -1.435 -11.191 -2.217 1.00 0.00 O ATOM 293 CB ARG A 20 -2.732 -12.639 -4.731 1.00 0.00 C ATOM 294 CG ARG A 20 -2.915 -14.149 -4.601 1.00 0.00 C ATOM 295 CD ARG A 20 -4.074 -14.534 -3.686 1.00 0.00 C ATOM 296 NE ARG A 20 -4.911 -15.528 -4.349 1.00 0.00 N ATOM 297 CZ ARG A 20 -4.792 -16.856 -4.268 1.00 0.00 C ATOM 298 NH1 ARG A 20 -3.913 -17.432 -3.458 1.00 0.00 N ATOM 299 NH2 ARG A 20 -5.533 -17.630 -5.048 1.00 0.00 N ATOM 0 H ARG A 20 -0.601 -13.537 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.220 -11.098 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.467 -12.140 -4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.944 -12.346 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.083 -14.575 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.995 -14.589 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.692 -14.934 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.665 -13.652 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.666 -15.172 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.304 -16.858 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.846 -18.449 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.190 -17.211 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.446 -18.645 -4.990 1.00 0.00 H new ATOM 313 N ASP A 21 -0.873 -13.373 -2.257 1.00 0.00 N ATOM 314 CA ASP A 21 -0.868 -13.612 -0.800 1.00 0.00 C ATOM 315 C ASP A 21 -0.207 -12.461 -0.031 1.00 0.00 C ATOM 316 O ASP A 21 -0.761 -11.961 0.944 1.00 0.00 O ATOM 317 CB ASP A 21 -0.160 -14.940 -0.487 1.00 0.00 C ATOM 318 CG ASP A 21 -0.432 -15.472 0.924 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.075 -14.875 1.899 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.108 -16.520 1.067 1.00 0.00 O ATOM 0 H ASP A 21 -0.590 -14.193 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.906 -13.668 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.475 -15.689 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.914 -14.806 -0.613 1.00 0.00 H new ATOM 325 N ARG A 22 0.923 -11.966 -0.552 1.00 0.00 N ATOM 326 CA ARG A 22 1.696 -10.820 -0.059 1.00 0.00 C ATOM 327 C ARG A 22 0.844 -9.554 0.037 1.00 0.00 C ATOM 328 O ARG A 22 0.911 -8.827 1.024 1.00 0.00 O ATOM 329 CB ARG A 22 2.876 -10.580 -1.026 1.00 0.00 C ATOM 330 CG ARG A 22 3.843 -11.776 -1.146 1.00 0.00 C ATOM 331 CD ARG A 22 4.346 -12.059 -2.574 1.00 0.00 C ATOM 332 NE ARG A 22 4.259 -13.496 -2.870 1.00 0.00 N ATOM 333 CZ ARG A 22 5.253 -14.380 -3.029 1.00 0.00 C ATOM 334 NH1 ARG A 22 6.528 -14.017 -3.179 1.00 0.00 N ATOM 335 NH2 ARG A 22 4.934 -15.665 -3.017 1.00 0.00 N ATOM 0 H ARG A 22 1.348 -12.382 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 22 2.053 -11.046 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.480 -10.345 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.435 -9.706 -0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.704 -11.595 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.344 -12.668 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.752 -11.496 -3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.377 -11.721 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 22 3.315 -13.870 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.781 -13.029 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.250 -14.728 -3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.962 -15.948 -2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.660 -16.372 -3.135 1.00 0.00 H new ATOM 349 N THR A 23 0.059 -9.280 -1.003 1.00 0.00 N ATOM 350 CA THR A 23 -0.830 -8.126 -1.106 1.00 0.00 C ATOM 351 C THR A 23 -1.856 -8.156 0.041 1.00 0.00 C ATOM 352 O THR A 23 -2.222 -7.109 0.577 1.00 0.00 O ATOM 353 CB THR A 23 -1.533 -8.162 -2.475 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.623 -8.410 -3.528 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.229 -6.847 -2.801 1.00 0.00 C ATOM 0 H THR A 23 0.024 -9.879 -1.828 1.00 0.00 H new ATOM 0 HA THR A 23 -0.259 -7.201 -1.024 1.00 0.00 H new ATOM 0 HB THR A 23 -2.262 -8.968 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.119 -8.586 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.710 -6.922 -3.776 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.981 -6.635 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.495 -6.042 -2.820 1.00 0.00 H new ATOM 363 N GLU A 24 -2.340 -9.345 0.412 1.00 0.00 N ATOM 364 CA GLU A 24 -3.336 -9.537 1.461 1.00 0.00 C ATOM 365 C GLU A 24 -2.762 -9.173 2.825 1.00 0.00 C ATOM 366 O GLU A 24 -3.474 -8.598 3.647 1.00 0.00 O ATOM 367 CB GLU A 24 -3.848 -10.987 1.484 1.00 0.00 C ATOM 368 CG GLU A 24 -4.386 -11.438 0.123 1.00 0.00 C ATOM 369 CD GLU A 24 -4.814 -12.904 0.084 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.688 -13.302 0.892 1.00 0.00 O ATOM 371 OE2 GLU A 24 -4.328 -13.635 -0.800 1.00 0.00 O ATOM 0 H GLU A 24 -2.041 -10.219 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.174 -8.876 1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.039 -11.650 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.636 -11.079 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.238 -10.813 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.619 -11.273 -0.633 1.00 0.00 H new ATOM 378 N GLU A 25 -1.477 -9.467 3.046 1.00 0.00 N ATOM 379 CA GLU A 25 -0.788 -9.168 4.296 1.00 0.00 C ATOM 380 C GLU A 25 -0.820 -7.663 4.555 1.00 0.00 C ATOM 381 O GLU A 25 -1.163 -7.228 5.654 1.00 0.00 O ATOM 382 CB GLU A 25 0.667 -9.661 4.274 1.00 0.00 C ATOM 383 CG GLU A 25 0.846 -11.109 3.841 1.00 0.00 C ATOM 384 CD GLU A 25 2.280 -11.599 3.997 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.233 -10.868 3.641 1.00 0.00 O ATOM 386 OE2 GLU A 25 2.468 -12.775 4.382 1.00 0.00 O ATOM 0 H GLU A 25 -0.884 -9.924 2.353 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.306 -9.693 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.242 -9.023 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.092 -9.540 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.184 -11.744 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.543 -11.212 2.799 1.00 0.00 H new ATOM 393 N ILE A 26 -0.502 -6.874 3.526 1.00 0.00 N ATOM 394 CA ILE A 26 -0.497 -5.420 3.586 1.00 0.00 C ATOM 395 C ILE A 26 -1.903 -4.917 3.940 1.00 0.00 C ATOM 396 O ILE A 26 -2.019 -4.027 4.779 1.00 0.00 O ATOM 397 CB ILE A 26 0.029 -4.858 2.248 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.541 -5.154 2.067 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.191 -3.340 2.113 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.864 -5.546 0.624 1.00 0.00 C ATOM 0 H ILE A 26 -0.236 -7.240 2.612 1.00 0.00 H new ATOM 0 HA ILE A 26 0.172 -5.065 4.369 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.546 -5.363 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.121 -4.274 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.839 -5.958 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.198 -3.000 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.257 -3.120 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.330 -2.824 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.931 -5.747 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.302 -6.441 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.589 -4.730 -0.045 1.00 0.00 H new ATOM 412 N LEU A 27 -2.959 -5.456 3.319 1.00 0.00 N ATOM 413 CA LEU A 27 -4.340 -5.038 3.578 1.00 0.00 C ATOM 414 C LEU A 27 -4.675 -5.221 5.063 1.00 0.00 C ATOM 415 O LEU A 27 -5.038 -4.247 5.732 1.00 0.00 O ATOM 416 CB LEU A 27 -5.323 -5.789 2.653 1.00 0.00 C ATOM 417 CG LEU A 27 -5.259 -5.324 1.187 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.862 -6.320 0.200 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.975 -3.988 0.967 1.00 0.00 C ATOM 0 H LEU A 27 -2.879 -6.196 2.621 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.444 -3.978 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.108 -6.857 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.338 -5.652 3.026 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.190 -5.227 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.781 -5.924 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.324 -7.266 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.912 -6.482 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.901 -3.704 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.025 -4.088 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.509 -3.220 1.584 1.00 0.00 H new ATOM 431 N SER A 28 -4.494 -6.435 5.588 1.00 0.00 N ATOM 432 CA SER A 28 -4.748 -6.776 6.978 1.00 0.00 C ATOM 433 C SER A 28 -3.865 -6.005 7.958 1.00 0.00 C ATOM 434 O SER A 28 -4.282 -5.717 9.089 1.00 0.00 O ATOM 435 CB SER A 28 -4.502 -8.273 7.123 1.00 0.00 C ATOM 436 OG SER A 28 -5.528 -9.012 6.499 1.00 0.00 O ATOM 0 H SER A 28 -4.157 -7.225 5.038 1.00 0.00 H new ATOM 0 HA SER A 28 -5.774 -6.503 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.540 -8.533 6.681 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.449 -8.537 8.179 1.00 0.00 H new ATOM 0 HG SER A 28 -5.350 -9.970 6.602 1.00 0.00 H new ATOM 442 N TRP A 29 -2.632 -5.692 7.570 1.00 0.00 N ATOM 443 CA TRP A 29 -1.705 -4.935 8.389 1.00 0.00 C ATOM 444 C TRP A 29 -2.106 -3.458 8.451 1.00 0.00 C ATOM 445 O TRP A 29 -2.107 -2.886 9.547 1.00 0.00 O ATOM 446 CB TRP A 29 -0.293 -5.137 7.848 1.00 0.00 C ATOM 447 CG TRP A 29 0.728 -4.296 8.527 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.376 -4.583 9.675 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.232 -3.009 8.088 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.255 -3.558 9.965 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.224 -2.572 9.005 1.00 0.00 C ATOM 452 CE3 TRP A 29 0.959 -2.193 6.974 1.00 0.00 C ATOM 453 CZ2 TRP A 29 2.959 -1.399 8.797 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.720 -1.041 6.724 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.731 -0.664 7.623 1.00 0.00 C ATOM 0 H TRP A 29 -2.248 -5.963 6.665 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.734 -5.297 9.417 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.018 -6.186 7.955 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.286 -4.913 6.781 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.231 -5.472 10.271 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.854 -3.534 10.790 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.154 -2.457 6.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.686 -1.067 9.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.529 -0.446 5.843 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.340 0.202 7.409 1.00 0.00 H new ATOM 466 N VAL A 30 -2.478 -2.839 7.322 1.00 0.00 N ATOM 467 CA VAL A 30 -2.941 -1.453 7.287 1.00 0.00 C ATOM 468 C VAL A 30 -4.147 -1.316 8.214 1.00 0.00 C ATOM 469 O VAL A 30 -4.125 -0.475 9.113 1.00 0.00 O ATOM 470 CB VAL A 30 -3.252 -0.996 5.840 1.00 0.00 C ATOM 471 CG1 VAL A 30 -4.066 0.306 5.817 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.965 -0.733 5.038 1.00 0.00 C ATOM 0 H VAL A 30 -2.465 -3.290 6.407 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.151 -0.792 7.643 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.822 -1.810 5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.264 0.593 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.011 0.154 6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.502 1.097 6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.224 -0.414 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.385 0.049 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.373 -1.647 4.989 1.00 0.00 H new ATOM 482 N ALA A 31 -5.175 -2.149 8.027 1.00 0.00 N ATOM 483 CA ALA A 31 -6.433 -2.029 8.756 1.00 0.00 C ATOM 484 C ALA A 31 -6.256 -2.158 10.274 1.00 0.00 C ATOM 485 O ALA A 31 -7.064 -1.615 11.032 1.00 0.00 O ATOM 486 CB ALA A 31 -7.391 -3.100 8.245 1.00 0.00 C ATOM 0 H ALA A 31 -5.155 -2.925 7.365 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.834 -1.031 8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.338 -3.026 8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.563 -2.955 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.957 -4.086 8.412 1.00 0.00 H new ATOM 492 N ALA A 32 -5.209 -2.859 10.722 1.00 0.00 N ATOM 493 CA ALA A 32 -4.877 -2.995 12.130 1.00 0.00 C ATOM 494 C ALA A 32 -4.087 -1.784 12.627 1.00 0.00 C ATOM 495 O ALA A 32 -4.418 -1.230 13.677 1.00 0.00 O ATOM 496 CB ALA A 32 -4.065 -4.278 12.341 1.00 0.00 C ATOM 0 H ALA A 32 -4.565 -3.351 10.103 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.803 -3.050 12.703 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.815 -4.381 13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.654 -5.138 12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.148 -4.229 11.754 1.00 0.00 H new ATOM 502 N THR A 33 -3.016 -1.412 11.922 1.00 0.00 N ATOM 503 CA THR A 33 -2.063 -0.404 12.375 1.00 0.00 C ATOM 504 C THR A 33 -2.673 0.999 12.290 1.00 0.00 C ATOM 505 O THR A 33 -2.478 1.796 13.213 1.00 0.00 O ATOM 506 CB THR A 33 -0.771 -0.490 11.543 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.350 -1.835 11.367 1.00 0.00 O ATOM 508 CG2 THR A 33 0.410 0.215 12.223 1.00 0.00 C ATOM 0 H THR A 33 -2.786 -1.809 11.011 1.00 0.00 H new ATOM 0 HA THR A 33 -1.819 -0.599 13.419 1.00 0.00 H new ATOM 0 HB THR A 33 -1.021 -0.014 10.595 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.930 -2.276 10.711 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.297 0.126 11.596 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.171 1.269 12.366 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.602 -0.248 13.191 1.00 0.00 H new ATOM 516 N PHE A 34 -3.425 1.295 11.221 1.00 0.00 N ATOM 517 CA PHE A 34 -3.948 2.626 10.929 1.00 0.00 C ATOM 518 C PHE A 34 -5.474 2.561 10.735 1.00 0.00 C ATOM 519 O PHE A 34 -5.979 2.788 9.637 1.00 0.00 O ATOM 520 CB PHE A 34 -3.191 3.308 9.772 1.00 0.00 C ATOM 521 CG PHE A 34 -1.775 2.818 9.560 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.716 3.250 10.378 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.547 1.853 8.570 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.572 2.717 10.180 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.271 1.316 8.372 1.00 0.00 C ATOM 526 CZ PHE A 34 0.783 1.741 9.190 1.00 0.00 C ATOM 0 H PHE A 34 -3.689 0.598 10.524 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.768 3.275 11.786 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.754 3.158 8.851 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.164 4.382 9.958 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.889 3.984 11.151 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.367 1.520 7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.397 3.057 10.788 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.101 0.583 7.598 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.767 1.315 9.059 1.00 0.00 H new ATOM 536 N PRO A 35 -6.248 2.230 11.781 1.00 0.00 N ATOM 537 CA PRO A 35 -7.670 1.917 11.654 1.00 0.00 C ATOM 538 C PRO A 35 -8.557 3.140 11.372 1.00 0.00 C ATOM 539 O PRO A 35 -9.757 2.964 11.157 1.00 0.00 O ATOM 540 CB PRO A 35 -8.043 1.264 12.986 1.00 0.00 C ATOM 541 CG PRO A 35 -7.113 1.971 13.963 1.00 0.00 C ATOM 542 CD PRO A 35 -5.822 2.092 13.164 1.00 0.00 C ATOM 0 HA PRO A 35 -7.839 1.269 10.794 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.092 1.421 13.237 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.876 0.187 12.972 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.500 2.946 14.258 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.971 1.395 14.877 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.238 2.955 13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.191 1.213 13.297 1.00 0.00 H new ATOM 550 N ASN A 36 -8.018 4.366 11.401 1.00 0.00 N ATOM 551 CA ASN A 36 -8.746 5.578 10.995 1.00 0.00 C ATOM 552 C ASN A 36 -8.929 5.629 9.474 1.00 0.00 C ATOM 553 O ASN A 36 -9.754 6.378 8.950 1.00 0.00 O ATOM 554 CB ASN A 36 -7.997 6.839 11.464 1.00 0.00 C ATOM 555 CG ASN A 36 -8.895 8.044 11.719 1.00 0.00 C ATOM 556 OD1 ASN A 36 -10.119 7.971 11.662 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.298 9.155 12.112 1.00 0.00 N ATOM 0 H ASN A 36 -7.062 4.547 11.707 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.729 5.546 11.465 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.454 6.605 12.380 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.254 7.107 10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.855 9.968 12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.280 9.199 12.154 1.00 0.00 H new ATOM 564 N LEU A 37 -8.155 4.815 8.747 1.00 0.00 N ATOM 565 CA LEU A 37 -8.402 4.521 7.352 1.00 0.00 C ATOM 566 C LEU A 37 -9.638 3.639 7.261 1.00 0.00 C ATOM 567 O LEU A 37 -9.760 2.639 7.971 1.00 0.00 O ATOM 568 CB LEU A 37 -7.229 3.749 6.748 1.00 0.00 C ATOM 569 CG LEU A 37 -5.921 4.536 6.611 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.868 3.557 6.117 1.00 0.00 C ATOM 571 CD2 LEU A 37 -6.040 5.687 5.614 1.00 0.00 C ATOM 0 H LEU A 37 -7.334 4.343 9.125 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.535 5.458 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.040 2.869 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.522 3.391 5.761 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.662 4.974 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.915 4.074 6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.758 2.747 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.175 3.147 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.088 6.214 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.301 5.292 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.816 6.377 5.946 1.00 0.00 H new ATOM 583 N GLU A 38 -10.526 3.965 6.338 1.00 0.00 N ATOM 584 CA GLU A 38 -11.683 3.162 5.989 1.00 0.00 C ATOM 585 C GLU A 38 -11.330 2.372 4.732 1.00 0.00 C ATOM 586 O GLU A 38 -10.614 2.894 3.875 1.00 0.00 O ATOM 587 CB GLU A 38 -12.894 4.053 5.693 1.00 0.00 C ATOM 588 CG GLU A 38 -13.193 5.109 6.745 1.00 0.00 C ATOM 589 CD GLU A 38 -13.576 6.498 6.218 1.00 0.00 C ATOM 590 OE1 GLU A 38 -13.284 6.896 5.061 1.00 0.00 O ATOM 591 OE2 GLU A 38 -14.268 7.200 6.991 1.00 0.00 O ATOM 0 H GLU A 38 -10.458 4.825 5.793 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.938 2.502 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.734 4.551 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.773 3.418 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.005 4.745 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.316 5.214 7.384 1.00 0.00 H new ATOM 598 N PRO A 39 -11.847 1.150 4.565 1.00 0.00 N ATOM 599 CA PRO A 39 -11.621 0.372 3.354 1.00 0.00 C ATOM 600 C PRO A 39 -12.331 1.038 2.169 1.00 0.00 C ATOM 601 O PRO A 39 -13.399 1.630 2.346 1.00 0.00 O ATOM 602 CB PRO A 39 -12.217 -0.999 3.669 1.00 0.00 C ATOM 603 CG PRO A 39 -13.335 -0.682 4.665 1.00 0.00 C ATOM 604 CD PRO A 39 -12.766 0.485 5.472 1.00 0.00 C ATOM 0 HA PRO A 39 -10.569 0.298 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.604 -1.484 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.474 -1.670 4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.260 -0.407 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.562 -1.538 5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.556 1.161 5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.253 0.134 6.368 1.00 0.00 H new ATOM 612 N GLN A 40 -11.781 0.939 0.955 1.00 0.00 N ATOM 613 CA GLN A 40 -12.432 1.434 -0.242 1.00 0.00 C ATOM 614 C GLN A 40 -11.884 0.691 -1.461 1.00 0.00 C ATOM 615 O GLN A 40 -10.736 0.896 -1.843 1.00 0.00 O ATOM 616 CB GLN A 40 -12.195 2.951 -0.326 1.00 0.00 C ATOM 617 CG GLN A 40 -13.117 3.571 -1.376 1.00 0.00 C ATOM 618 CD GLN A 40 -12.995 5.093 -1.463 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.015 5.674 -2.546 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.866 5.794 -0.349 1.00 0.00 N ATOM 0 H GLN A 40 -10.871 0.512 0.784 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.507 1.256 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.378 3.410 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.154 3.150 -0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.889 3.139 -2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.149 3.309 -1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.849 5.319 0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.784 6.810 -0.392 1.00 0.00 H new ATOM 629 N MET A 41 -12.678 -0.174 -2.089 1.00 0.00 N ATOM 630 CA MET A 41 -12.384 -0.593 -3.456 1.00 0.00 C ATOM 631 C MET A 41 -12.794 0.548 -4.390 1.00 0.00 C ATOM 632 O MET A 41 -13.909 1.072 -4.285 1.00 0.00 O ATOM 633 CB MET A 41 -13.136 -1.887 -3.799 1.00 0.00 C ATOM 634 CG MET A 41 -12.419 -3.137 -3.287 1.00 0.00 C ATOM 635 SD MET A 41 -10.754 -3.423 -3.927 1.00 0.00 S ATOM 636 CE MET A 41 -11.203 -3.701 -5.635 1.00 0.00 C ATOM 0 H MET A 41 -13.515 -0.591 -1.682 1.00 0.00 H new ATOM 0 HA MET A 41 -11.321 -0.803 -3.570 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.137 -1.846 -3.370 1.00 0.00 H new ATOM 0 HB3 MET A 41 -13.255 -1.958 -4.880 1.00 0.00 H new ATOM 0 HG2 MET A 41 -12.362 -3.078 -2.200 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.032 -4.006 -3.527 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.384 -4.204 -6.149 1.00 0.00 H new ATOM 0 HE2 MET A 41 -12.097 -4.324 -5.680 1.00 0.00 H new ATOM 0 HE3 MET A 41 -11.402 -2.745 -6.119 1.00 0.00 H new ATOM 646 N LYS A 42 -11.908 0.934 -5.309 1.00 0.00 N ATOM 647 CA LYS A 42 -12.152 1.907 -6.374 1.00 0.00 C ATOM 648 C LYS A 42 -11.483 1.360 -7.617 1.00 0.00 C ATOM 649 O LYS A 42 -10.404 0.808 -7.498 1.00 0.00 O ATOM 650 CB LYS A 42 -11.533 3.253 -5.966 1.00 0.00 C ATOM 651 CG LYS A 42 -12.164 4.402 -6.758 1.00 0.00 C ATOM 652 CD LYS A 42 -13.416 4.928 -6.051 1.00 0.00 C ATOM 653 CE LYS A 42 -14.244 5.769 -7.023 1.00 0.00 C ATOM 654 NZ LYS A 42 -15.440 6.338 -6.375 1.00 0.00 N ATOM 0 H LYS A 42 -10.959 0.560 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.215 2.065 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.679 3.417 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.457 3.232 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.441 5.209 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.424 4.059 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.012 4.095 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.132 5.529 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.628 6.575 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.548 5.153 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.975 6.901 -7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.040 5.568 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.149 6.947 -5.583 1.00 0.00 H new ATOM 668 N TRP A 43 -12.076 1.466 -8.803 1.00 0.00 N ATOM 669 CA TRP A 43 -11.465 1.025 -10.061 1.00 0.00 C ATOM 670 C TRP A 43 -11.216 -0.495 -10.187 1.00 0.00 C ATOM 671 O TRP A 43 -10.737 -0.958 -11.223 1.00 0.00 O ATOM 672 CB TRP A 43 -10.178 1.828 -10.352 1.00 0.00 C ATOM 673 CG TRP A 43 -10.331 3.002 -11.255 1.00 0.00 C ATOM 674 CD1 TRP A 43 -10.889 4.189 -10.938 1.00 0.00 C ATOM 675 CD2 TRP A 43 -9.876 3.127 -12.630 1.00 0.00 C ATOM 676 NE1 TRP A 43 -10.802 5.040 -12.022 1.00 0.00 N ATOM 677 CE2 TRP A 43 -10.171 4.441 -13.092 1.00 0.00 C ATOM 678 CE3 TRP A 43 -9.233 2.253 -13.528 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -9.811 4.875 -14.376 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -8.883 2.667 -14.825 1.00 0.00 C ATOM 681 CH2 TRP A 43 -9.153 3.982 -15.236 1.00 0.00 C ATOM 0 H TRP A 43 -13.007 1.865 -8.923 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.214 1.236 -10.824 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.768 2.175 -9.404 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.443 1.152 -10.789 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.334 4.435 -9.985 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -11.161 5.995 -12.030 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.004 1.245 -13.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.037 5.881 -14.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.407 1.975 -15.504 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.852 4.309 -16.221 1.00 0.00 H new ATOM 692 N ASN A 44 -11.572 -1.279 -9.166 1.00 0.00 N ATOM 693 CA ASN A 44 -11.144 -2.646 -8.874 1.00 0.00 C ATOM 694 C ASN A 44 -9.714 -2.732 -8.328 1.00 0.00 C ATOM 695 O ASN A 44 -9.132 -3.817 -8.273 1.00 0.00 O ATOM 696 CB ASN A 44 -11.317 -3.636 -10.018 1.00 0.00 C ATOM 697 CG ASN A 44 -11.518 -5.046 -9.458 1.00 0.00 C ATOM 698 OD1 ASN A 44 -12.329 -5.243 -8.554 1.00 0.00 O ATOM 699 ND2 ASN A 44 -10.822 -6.053 -9.953 1.00 0.00 N ATOM 0 H ASN A 44 -12.226 -0.941 -8.460 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.838 -2.948 -8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.173 -3.352 -10.630 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.441 -3.614 -10.666 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.957 -6.995 -9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.150 -5.889 -10.702 1.00 0.00 H new ATOM 706 N THR A 45 -9.137 -1.618 -7.900 1.00 0.00 N ATOM 707 CA THR A 45 -7.892 -1.584 -7.167 1.00 0.00 C ATOM 708 C THR A 45 -8.206 -1.222 -5.704 1.00 0.00 C ATOM 709 O THR A 45 -9.173 -0.511 -5.408 1.00 0.00 O ATOM 710 CB THR A 45 -6.912 -0.632 -7.884 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.437 0.664 -8.087 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.550 -1.160 -9.277 1.00 0.00 C ATOM 0 H THR A 45 -9.536 -0.693 -8.060 1.00 0.00 H new ATOM 0 HA THR A 45 -7.390 -2.551 -7.142 1.00 0.00 H new ATOM 0 HB THR A 45 -6.046 -0.582 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.352 0.705 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.858 -0.469 -9.759 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.080 -2.139 -9.184 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.454 -1.248 -9.879 1.00 0.00 H new ATOM 720 N PRO A 46 -7.433 -1.748 -4.750 1.00 0.00 N ATOM 721 CA PRO A 46 -7.589 -1.412 -3.345 1.00 0.00 C ATOM 722 C PRO A 46 -7.078 0.004 -3.073 1.00 0.00 C ATOM 723 O PRO A 46 -6.014 0.411 -3.550 1.00 0.00 O ATOM 724 CB PRO A 46 -6.771 -2.458 -2.593 1.00 0.00 C ATOM 725 CG PRO A 46 -5.702 -2.846 -3.611 1.00 0.00 C ATOM 726 CD PRO A 46 -6.432 -2.779 -4.934 1.00 0.00 C ATOM 0 HA PRO A 46 -8.632 -1.422 -3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.333 -2.051 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.380 -3.313 -2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.855 -2.160 -3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.309 -3.845 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.752 -2.530 -5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.890 -3.736 -5.182 1.00 0.00 H new ATOM 734 N MET A 47 -7.811 0.757 -2.266 1.00 0.00 N ATOM 735 CA MET A 47 -7.327 1.958 -1.611 1.00 0.00 C ATOM 736 C MET A 47 -7.972 2.021 -0.226 1.00 0.00 C ATOM 737 O MET A 47 -8.737 1.129 0.164 1.00 0.00 O ATOM 738 CB MET A 47 -7.584 3.208 -2.481 1.00 0.00 C ATOM 739 CG MET A 47 -9.055 3.391 -2.877 1.00 0.00 C ATOM 740 SD MET A 47 -9.571 5.077 -3.304 1.00 0.00 S ATOM 741 CE MET A 47 -9.346 5.918 -1.709 1.00 0.00 C ATOM 0 H MET A 47 -8.783 0.542 -2.045 1.00 0.00 H new ATOM 0 HA MET A 47 -6.245 1.931 -1.483 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.250 4.092 -1.938 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.979 3.141 -3.385 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.263 2.744 -3.729 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.677 3.042 -2.053 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.920 6.844 -1.702 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.692 5.270 -0.904 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.290 6.145 -1.563 1.00 0.00 H new ATOM 751 N PHE A 48 -7.657 3.064 0.533 1.00 0.00 N ATOM 752 CA PHE A 48 -8.314 3.329 1.799 1.00 0.00 C ATOM 753 C PHE A 48 -8.530 4.831 1.901 1.00 0.00 C ATOM 754 O PHE A 48 -7.829 5.606 1.241 1.00 0.00 O ATOM 755 CB PHE A 48 -7.475 2.837 2.988 1.00 0.00 C ATOM 756 CG PHE A 48 -6.791 1.485 2.891 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.606 1.354 2.142 1.00 0.00 C ATOM 758 CD2 PHE A 48 -7.260 0.392 3.649 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.875 0.159 2.173 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.530 -0.811 3.674 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.327 -0.916 2.953 1.00 0.00 C ATOM 0 H PHE A 48 -6.940 3.746 0.285 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.262 2.793 1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.704 3.584 3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.124 2.817 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.258 2.180 1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.179 0.478 4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.966 0.066 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.893 -1.652 4.246 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.749 -1.827 3.000 1.00 0.00 H new ATOM 771 N SER A 49 -9.436 5.260 2.770 1.00 0.00 N ATOM 772 CA SER A 49 -9.754 6.660 2.956 1.00 0.00 C ATOM 773 C SER A 49 -9.597 7.040 4.416 1.00 0.00 C ATOM 774 O SER A 49 -10.321 6.532 5.265 1.00 0.00 O ATOM 775 CB SER A 49 -11.136 6.954 2.388 1.00 0.00 C ATOM 776 OG SER A 49 -12.162 6.061 2.806 1.00 0.00 O ATOM 0 H SER A 49 -9.974 4.634 3.370 1.00 0.00 H new ATOM 0 HA SER A 49 -9.054 7.287 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.420 7.968 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.077 6.932 1.300 1.00 0.00 H new ATOM 0 HG SER A 49 -12.571 6.396 3.631 1.00 0.00 H new ATOM 782 N ASN A 50 -8.639 7.907 4.730 1.00 0.00 N ATOM 783 CA ASN A 50 -8.515 8.457 6.078 1.00 0.00 C ATOM 784 C ASN A 50 -9.679 9.409 6.271 1.00 0.00 C ATOM 785 O ASN A 50 -9.639 10.521 5.741 1.00 0.00 O ATOM 786 CB ASN A 50 -7.183 9.175 6.330 1.00 0.00 C ATOM 787 CG ASN A 50 -7.133 9.512 7.814 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.745 8.671 8.615 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.583 10.690 8.206 1.00 0.00 N ATOM 0 H ASN A 50 -7.937 8.244 4.071 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.533 7.638 6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.343 8.539 6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.112 10.080 5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.614 10.919 9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.900 11.371 7.515 1.00 0.00 H new ATOM 796 N GLN A 51 -10.742 8.925 6.906 1.00 0.00 N ATOM 797 CA GLN A 51 -12.007 9.622 7.088 1.00 0.00 C ATOM 798 C GLN A 51 -12.469 10.313 5.793 1.00 0.00 C ATOM 799 O GLN A 51 -12.776 11.506 5.789 1.00 0.00 O ATOM 800 CB GLN A 51 -11.933 10.576 8.291 1.00 0.00 C ATOM 801 CG GLN A 51 -11.350 9.915 9.549 1.00 0.00 C ATOM 802 CD GLN A 51 -11.868 10.602 10.805 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.236 11.503 11.357 1.00 0.00 O ATOM 804 NE2 GLN A 51 -13.056 10.219 11.239 1.00 0.00 N ATOM 0 H GLN A 51 -10.743 7.995 7.326 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.777 8.885 7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.323 11.439 8.025 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.933 10.949 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.618 8.859 9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.262 9.967 9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.556 9.469 10.761 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.473 10.673 12.052 1.00 0.00 H new ATOM 813 N GLY A 52 -12.457 9.597 4.665 1.00 0.00 N ATOM 814 CA GLY A 52 -12.841 10.160 3.373 1.00 0.00 C ATOM 815 C GLY A 52 -11.747 10.985 2.681 1.00 0.00 C ATOM 816 O GLY A 52 -12.072 11.967 2.018 1.00 0.00 O ATOM 0 H GLY A 52 -12.182 8.616 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.136 9.346 2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.719 10.791 3.514 1.00 0.00 H new ATOM 820 N THR A 53 -10.468 10.609 2.800 1.00 0.00 N ATOM 821 CA THR A 53 -9.353 11.193 2.032 1.00 0.00 C ATOM 822 C THR A 53 -8.775 10.126 1.056 1.00 0.00 C ATOM 823 O THR A 53 -9.490 9.161 0.756 1.00 0.00 O ATOM 824 CB THR A 53 -8.354 11.893 2.978 1.00 0.00 C ATOM 825 OG1 THR A 53 -9.005 12.531 4.064 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.646 13.032 2.244 1.00 0.00 C ATOM 0 H THR A 53 -10.170 9.877 3.444 1.00 0.00 H new ATOM 0 HA THR A 53 -9.690 12.000 1.381 1.00 0.00 H new ATOM 0 HB THR A 53 -7.676 11.112 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.058 11.913 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.943 13.519 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.106 12.632 1.386 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.383 13.758 1.902 1.00 0.00 H new ATOM 834 N PHE A 54 -7.578 10.297 0.467 1.00 0.00 N ATOM 835 CA PHE A 54 -6.977 9.423 -0.561 1.00 0.00 C ATOM 836 C PHE A 54 -5.528 9.022 -0.194 1.00 0.00 C ATOM 837 O PHE A 54 -4.794 8.477 -1.014 1.00 0.00 O ATOM 838 CB PHE A 54 -7.052 10.137 -1.928 1.00 0.00 C ATOM 839 CG PHE A 54 -6.744 9.273 -3.140 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.742 8.448 -3.687 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.457 9.279 -3.718 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.458 7.614 -4.782 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.166 8.421 -4.793 1.00 0.00 C ATOM 844 CZ PHE A 54 -6.163 7.584 -5.324 1.00 0.00 C ATOM 0 H PHE A 54 -6.974 11.084 0.704 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.540 8.492 -0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.053 10.553 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.357 10.977 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.735 8.455 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.696 9.942 -3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.236 6.996 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.171 8.405 -5.213 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.934 6.921 -6.145 1.00 0.00 H new ATOM 854 N ILE A 55 -5.121 9.261 1.056 1.00 0.00 N ATOM 855 CA ILE A 55 -3.761 9.228 1.601 1.00 0.00 C ATOM 856 C ILE A 55 -3.080 7.837 1.483 1.00 0.00 C ATOM 857 O ILE A 55 -1.943 7.681 1.925 1.00 0.00 O ATOM 858 CB ILE A 55 -3.797 9.827 3.051 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.361 11.276 3.036 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.420 9.862 3.744 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.539 11.953 4.405 1.00 0.00 C ATOM 0 H ILE A 55 -5.798 9.505 1.779 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.108 9.854 0.994 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.444 9.157 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.697 11.895 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.328 11.261 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.525 10.289 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.026 8.849 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.733 10.474 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.938 12.958 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.231 11.369 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.575 12.013 4.909 1.00 0.00 H new ATOM 873 N ILE A 56 -3.703 6.796 0.912 1.00 0.00 N ATOM 874 CA ILE A 56 -3.041 5.573 0.491 1.00 0.00 C ATOM 875 C ILE A 56 -3.840 4.825 -0.590 1.00 0.00 C ATOM 876 O ILE A 56 -5.063 4.683 -0.482 1.00 0.00 O ATOM 877 CB ILE A 56 -2.801 4.725 1.749 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.111 3.399 1.397 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.056 4.548 2.626 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.233 3.026 2.580 1.00 0.00 C ATOM 0 H ILE A 56 -4.707 6.791 0.730 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.086 5.802 0.018 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.114 5.287 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.849 2.620 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.513 3.504 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.809 3.938 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.410 5.525 2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.838 4.056 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.722 2.086 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.495 3.811 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.851 2.913 3.471 1.00 0.00 H new ATOM 892 N GLY A 57 -3.136 4.259 -1.575 1.00 0.00 N ATOM 893 CA GLY A 57 -3.660 3.292 -2.533 1.00 0.00 C ATOM 894 C GLY A 57 -2.562 2.316 -2.957 1.00 0.00 C ATOM 895 O GLY A 57 -1.382 2.564 -2.692 1.00 0.00 O ATOM 0 H GLY A 57 -2.150 4.472 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.491 2.744 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.051 3.812 -3.407 1.00 0.00 H new ATOM 899 N PHE A 58 -2.934 1.202 -3.600 1.00 0.00 N ATOM 900 CA PHE A 58 -2.001 0.347 -4.329 1.00 0.00 C ATOM 901 C PHE A 58 -2.720 -0.496 -5.380 1.00 0.00 C ATOM 902 O PHE A 58 -3.947 -0.480 -5.494 1.00 0.00 O ATOM 903 CB PHE A 58 -1.165 -0.532 -3.379 1.00 0.00 C ATOM 904 CG PHE A 58 -1.854 -1.322 -2.291 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.260 -2.656 -2.502 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.915 -0.769 -1.002 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.777 -3.414 -1.436 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.396 -1.544 0.065 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.839 -2.858 -0.148 1.00 0.00 C ATOM 0 H PHE A 58 -3.898 0.870 -3.627 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.307 1.004 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.610 -1.240 -3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.432 0.115 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.174 -3.097 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.593 0.248 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.126 -4.422 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.425 -1.125 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.226 -3.440 0.675 1.00 0.00 H new ATOM 919 N SER A 59 -1.952 -1.256 -6.159 1.00 0.00 N ATOM 920 CA SER A 59 -2.449 -2.341 -6.991 1.00 0.00 C ATOM 921 C SER A 59 -1.265 -3.238 -7.338 1.00 0.00 C ATOM 922 O SER A 59 -0.117 -2.785 -7.324 1.00 0.00 O ATOM 923 CB SER A 59 -3.177 -1.811 -8.238 1.00 0.00 C ATOM 924 OG SER A 59 -2.730 -0.529 -8.662 1.00 0.00 O ATOM 0 H SER A 59 -0.942 -1.128 -6.228 1.00 0.00 H new ATOM 0 HA SER A 59 -3.196 -2.923 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.043 -2.521 -9.054 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.246 -1.762 -8.030 1.00 0.00 H new ATOM 0 HG SER A 59 -3.232 -0.254 -9.458 1.00 0.00 H new ATOM 930 N THR A 60 -1.521 -4.509 -7.642 1.00 0.00 N ATOM 931 CA THR A 60 -0.481 -5.410 -8.102 1.00 0.00 C ATOM 932 C THR A 60 0.040 -4.867 -9.433 1.00 0.00 C ATOM 933 O THR A 60 -0.745 -4.534 -10.330 1.00 0.00 O ATOM 934 CB THR A 60 -0.998 -6.861 -8.180 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.150 -7.020 -8.990 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.329 -7.406 -6.789 1.00 0.00 C ATOM 0 H THR A 60 -2.446 -4.934 -7.576 1.00 0.00 H new ATOM 0 HA THR A 60 0.349 -5.451 -7.397 1.00 0.00 H new ATOM 0 HB THR A 60 -0.180 -7.418 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.419 -7.962 -8.994 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.691 -8.430 -6.876 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.433 -7.389 -6.169 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.100 -6.787 -6.330 1.00 0.00 H new ATOM 944 N SER A 61 1.352 -4.698 -9.554 1.00 0.00 N ATOM 945 CA SER A 61 2.007 -4.508 -10.832 1.00 0.00 C ATOM 946 C SER A 61 2.196 -5.890 -11.468 1.00 0.00 C ATOM 947 O SER A 61 1.987 -6.923 -10.828 1.00 0.00 O ATOM 948 CB SER A 61 3.370 -3.838 -10.628 1.00 0.00 C ATOM 949 OG SER A 61 3.506 -3.139 -9.400 1.00 0.00 O ATOM 0 H SER A 61 1.991 -4.690 -8.759 1.00 0.00 H new ATOM 0 HA SER A 61 1.405 -3.868 -11.477 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.147 -4.600 -10.685 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.545 -3.142 -11.449 1.00 0.00 H new ATOM 0 HG SER A 61 2.969 -2.320 -9.429 1.00 0.00 H new ATOM 955 N LYS A 62 2.669 -5.941 -12.712 1.00 0.00 N ATOM 956 CA LYS A 62 2.834 -7.205 -13.426 1.00 0.00 C ATOM 957 C LYS A 62 3.909 -8.110 -12.803 1.00 0.00 C ATOM 958 O LYS A 62 3.820 -9.330 -12.933 1.00 0.00 O ATOM 959 CB LYS A 62 3.093 -6.874 -14.909 1.00 0.00 C ATOM 960 CG LYS A 62 2.607 -7.968 -15.871 1.00 0.00 C ATOM 961 CD LYS A 62 2.611 -7.506 -17.335 1.00 0.00 C ATOM 962 CE LYS A 62 4.041 -7.330 -17.851 1.00 0.00 C ATOM 963 NZ LYS A 62 4.083 -6.756 -19.210 1.00 0.00 N ATOM 0 H LYS A 62 2.946 -5.118 -13.248 1.00 0.00 H new ATOM 0 HA LYS A 62 1.923 -7.798 -13.344 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.596 -5.936 -15.156 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.161 -6.718 -15.058 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.244 -8.847 -15.769 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.598 -8.271 -15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.085 -8.235 -17.952 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.070 -6.564 -17.424 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.593 -6.683 -17.169 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.545 -8.296 -17.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.072 -6.657 -19.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.580 -7.385 -19.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.626 -5.822 -19.206 1.00 0.00 H new ATOM 977 N HIS A 63 4.905 -7.540 -12.117 1.00 0.00 N ATOM 978 CA HIS A 63 6.073 -8.254 -11.583 1.00 0.00 C ATOM 979 C HIS A 63 6.498 -7.762 -10.193 1.00 0.00 C ATOM 980 O HIS A 63 7.544 -8.154 -9.666 1.00 0.00 O ATOM 981 CB HIS A 63 7.217 -8.115 -12.594 1.00 0.00 C ATOM 982 CG HIS A 63 7.084 -9.122 -13.690 1.00 0.00 C ATOM 983 ND1 HIS A 63 7.437 -10.436 -13.561 1.00 0.00 N ATOM 984 CD2 HIS A 63 6.513 -8.948 -14.921 1.00 0.00 C ATOM 985 CE1 HIS A 63 7.082 -11.056 -14.690 1.00 0.00 C ATOM 986 NE2 HIS A 63 6.507 -10.194 -15.553 1.00 0.00 N ATOM 0 H HIS A 63 4.923 -6.541 -11.911 1.00 0.00 H new ATOM 0 HA HIS A 63 5.806 -9.302 -11.446 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.215 -7.110 -13.016 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.173 -8.246 -12.088 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.137 -8.021 -15.328 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.235 -12.107 -14.885 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.141 -10.409 -16.481 1.00 0.00 H new ATOM 994 N HIS A 64 5.713 -6.862 -9.618 1.00 0.00 N ATOM 995 CA HIS A 64 6.014 -6.110 -8.419 1.00 0.00 C ATOM 996 C HIS A 64 4.669 -5.657 -7.832 1.00 0.00 C ATOM 997 O HIS A 64 3.617 -5.970 -8.398 1.00 0.00 O ATOM 998 CB HIS A 64 7.000 -4.962 -8.762 1.00 0.00 C ATOM 999 CG HIS A 64 6.998 -4.404 -10.170 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.669 -4.932 -11.257 1.00 0.00 N ATOM 1001 CD2 HIS A 64 6.398 -3.246 -10.579 1.00 0.00 C ATOM 1002 CE1 HIS A 64 7.425 -4.141 -12.313 1.00 0.00 C ATOM 1003 NE2 HIS A 64 6.653 -3.103 -11.948 1.00 0.00 N ATOM 0 H HIS A 64 4.798 -6.627 -10.002 1.00 0.00 H new ATOM 0 HA HIS A 64 6.526 -6.698 -7.657 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.799 -4.137 -8.078 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.008 -5.316 -8.547 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.831 -2.566 -9.960 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.796 -4.314 -13.313 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.317 -2.354 -12.553 1.00 0.00 H new ATOM 1011 N LEU A 65 4.674 -4.935 -6.715 1.00 0.00 N ATOM 1012 CA LEU A 65 3.488 -4.299 -6.140 1.00 0.00 C ATOM 1013 C LEU A 65 3.771 -2.802 -6.104 1.00 0.00 C ATOM 1014 O LEU A 65 4.878 -2.425 -5.721 1.00 0.00 O ATOM 1015 CB LEU A 65 3.236 -4.871 -4.734 1.00 0.00 C ATOM 1016 CG LEU A 65 1.754 -4.901 -4.314 1.00 0.00 C ATOM 1017 CD1 LEU A 65 1.638 -5.545 -2.936 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.084 -3.547 -4.183 1.00 0.00 C ATOM 0 H LEU A 65 5.521 -4.771 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 65 2.590 -4.489 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.633 -5.885 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.794 -4.279 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 65 1.258 -5.449 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.591 -5.569 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.028 -6.562 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.212 -4.964 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.045 -3.683 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.604 -2.955 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.121 -3.029 -5.141 1.00 0.00 H new ATOM 1030 N SER A 66 2.825 -1.965 -6.533 1.00 0.00 N ATOM 1031 CA SER A 66 2.988 -0.514 -6.639 1.00 0.00 C ATOM 1032 C SER A 66 2.243 0.172 -5.486 1.00 0.00 C ATOM 1033 O SER A 66 1.043 -0.073 -5.365 1.00 0.00 O ATOM 1034 CB SER A 66 2.434 0.017 -7.976 1.00 0.00 C ATOM 1035 OG SER A 66 2.031 -0.962 -8.918 1.00 0.00 O ATOM 0 H SER A 66 1.901 -2.285 -6.824 1.00 0.00 H new ATOM 0 HA SER A 66 4.054 -0.291 -6.590 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.580 0.659 -7.762 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.196 0.644 -8.438 1.00 0.00 H new ATOM 0 HG SER A 66 1.696 -0.520 -9.726 1.00 0.00 H new ATOM 1041 N VAL A 67 2.883 1.028 -4.678 1.00 0.00 N ATOM 1042 CA VAL A 67 2.258 1.695 -3.521 1.00 0.00 C ATOM 1043 C VAL A 67 2.789 3.135 -3.399 1.00 0.00 C ATOM 1044 O VAL A 67 3.927 3.405 -3.790 1.00 0.00 O ATOM 1045 CB VAL A 67 2.573 0.911 -2.227 1.00 0.00 C ATOM 1046 CG1 VAL A 67 1.673 1.362 -1.063 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.465 -0.615 -2.362 1.00 0.00 C ATOM 0 H VAL A 67 3.862 1.282 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 67 1.178 1.722 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 67 3.617 1.146 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.921 0.790 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.831 2.423 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.628 1.192 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.703 -1.083 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.450 -0.883 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.166 -0.964 -3.121 1.00 0.00 H new ATOM 1057 N SER A 68 1.999 4.048 -2.824 1.00 0.00 N ATOM 1058 CA SER A 68 2.396 5.376 -2.343 1.00 0.00 C ATOM 1059 C SER A 68 1.306 5.853 -1.359 1.00 0.00 C ATOM 1060 O SER A 68 0.258 5.201 -1.259 1.00 0.00 O ATOM 1061 CB SER A 68 2.544 6.307 -3.555 1.00 0.00 C ATOM 1062 OG SER A 68 2.739 7.674 -3.234 1.00 0.00 O ATOM 0 H SER A 68 1.006 3.869 -2.673 1.00 0.00 H new ATOM 0 HA SER A 68 3.353 5.365 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.386 5.966 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.652 6.218 -4.175 1.00 0.00 H new ATOM 0 HG SER A 68 2.825 8.195 -4.060 1.00 0.00 H new ATOM 1068 N PRO A 69 1.538 6.895 -0.536 1.00 0.00 N ATOM 1069 CA PRO A 69 0.471 7.574 0.181 1.00 0.00 C ATOM 1070 C PRO A 69 -0.154 8.692 -0.666 1.00 0.00 C ATOM 1071 O PRO A 69 -1.347 8.655 -0.953 1.00 0.00 O ATOM 1072 CB PRO A 69 1.118 8.111 1.465 1.00 0.00 C ATOM 1073 CG PRO A 69 2.580 8.331 1.070 1.00 0.00 C ATOM 1074 CD PRO A 69 2.827 7.215 0.050 1.00 0.00 C ATOM 0 HA PRO A 69 -0.354 6.900 0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.648 9.038 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.028 7.400 2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.738 9.318 0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.247 8.250 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.531 7.540 -0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.262 6.339 0.532 1.00 0.00 H new ATOM 1082 N GLU A 70 0.657 9.640 -1.139 1.00 0.00 N ATOM 1083 CA GLU A 70 0.263 10.754 -1.988 1.00 0.00 C ATOM 1084 C GLU A 70 1.443 11.003 -2.922 1.00 0.00 C ATOM 1085 O GLU A 70 1.455 10.534 -4.061 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.086 12.023 -1.173 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.418 11.961 -0.416 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.828 13.342 0.117 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.033 13.997 0.833 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -2.940 13.823 -0.211 1.00 0.00 O ATOM 0 H GLU A 70 1.655 9.647 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.645 10.513 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.714 12.207 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.110 12.877 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.196 11.580 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.333 11.260 0.414 1.00 0.00 H new ATOM 1097 N GLU A 71 2.452 11.715 -2.417 1.00 0.00 N ATOM 1098 CA GLU A 71 3.662 12.100 -3.147 1.00 0.00 C ATOM 1099 C GLU A 71 4.884 12.170 -2.225 1.00 0.00 C ATOM 1100 O GLU A 71 5.973 11.773 -2.631 1.00 0.00 O ATOM 1101 CB GLU A 71 3.449 13.431 -3.888 1.00 0.00 C ATOM 1102 CG GLU A 71 3.086 14.587 -2.950 1.00 0.00 C ATOM 1103 CD GLU A 71 2.862 15.879 -3.722 1.00 0.00 C ATOM 1104 OE1 GLU A 71 1.756 16.046 -4.284 1.00 0.00 O ATOM 1105 OE2 GLU A 71 3.776 16.735 -3.724 1.00 0.00 O ATOM 0 H GLU A 71 2.449 12.052 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 71 3.862 11.325 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.357 13.685 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.657 13.307 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.185 14.335 -2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.884 14.730 -2.221 1.00 0.00 H new ATOM 1112 N ILE A 72 4.722 12.616 -0.969 1.00 0.00 N ATOM 1113 CA ILE A 72 5.844 12.820 -0.050 1.00 0.00 C ATOM 1114 C ILE A 72 6.589 11.502 0.201 1.00 0.00 C ATOM 1115 O ILE A 72 7.814 11.492 0.337 1.00 0.00 O ATOM 1116 CB ILE A 72 5.342 13.486 1.251 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.536 14.055 2.047 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.506 12.520 2.106 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.151 14.686 3.386 1.00 0.00 C ATOM 0 H ILE A 72 3.812 12.843 -0.567 1.00 0.00 H new ATOM 0 HA ILE A 72 6.568 13.498 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 72 4.682 14.309 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.253 13.254 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.042 14.804 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.174 13.029 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.638 12.188 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.113 11.656 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.046 15.061 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.459 15.510 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.673 13.937 4.017 1.00 0.00 H new ATOM 1131 N GLY A 73 5.854 10.386 0.180 1.00 0.00 N ATOM 1132 CA GLY A 73 6.350 9.023 0.302 1.00 0.00 C ATOM 1133 C GLY A 73 7.344 8.627 -0.790 1.00 0.00 C ATOM 1134 O GLY A 73 8.056 7.639 -0.621 1.00 0.00 O ATOM 0 H GLY A 73 4.840 10.418 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.828 8.906 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.505 8.335 0.277 1.00 0.00 H new ATOM 1138 N ILE A 74 7.388 9.362 -1.899 1.00 0.00 N ATOM 1139 CA ILE A 74 8.289 9.172 -3.033 1.00 0.00 C ATOM 1140 C ILE A 74 9.245 10.378 -3.115 1.00 0.00 C ATOM 1141 O ILE A 74 10.125 10.428 -3.979 1.00 0.00 O ATOM 1142 CB ILE A 74 7.448 8.978 -4.324 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.283 7.981 -4.154 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.302 8.543 -5.524 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.740 6.568 -3.779 1.00 0.00 C ATOM 0 H ILE A 74 6.759 10.153 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 74 8.900 8.278 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 74 7.028 9.965 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.607 8.352 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.715 7.936 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.664 8.422 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.057 9.302 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.792 7.596 -5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.870 5.920 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.393 6.178 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.283 6.600 -2.834 1.00 0.00 H new ATOM 1157 N SER A 75 9.095 11.345 -2.204 1.00 0.00 N ATOM 1158 CA SER A 75 9.956 12.493 -2.069 1.00 0.00 C ATOM 1159 C SER A 75 11.070 12.139 -1.084 1.00 0.00 C ATOM 1160 O SER A 75 12.116 11.653 -1.511 1.00 0.00 O ATOM 1161 CB SER A 75 9.123 13.729 -1.693 1.00 0.00 C ATOM 1162 OG SER A 75 9.857 14.901 -1.963 1.00 0.00 O ATOM 0 H SER A 75 8.337 11.336 -1.521 1.00 0.00 H new ATOM 0 HA SER A 75 10.441 12.758 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.190 13.735 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.856 13.691 -0.637 1.00 0.00 H new ATOM 0 HG SER A 75 9.321 15.685 -1.723 1.00 0.00 H new ATOM 1168 N GLN A 76 10.836 12.291 0.224 1.00 0.00 N ATOM 1169 CA GLN A 76 11.863 12.182 1.249 1.00 0.00 C ATOM 1170 C GLN A 76 12.099 10.710 1.559 1.00 0.00 C ATOM 1171 O GLN A 76 13.240 10.255 1.663 1.00 0.00 O ATOM 1172 CB GLN A 76 11.465 13.015 2.489 1.00 0.00 C ATOM 1173 CG GLN A 76 10.128 12.639 3.169 1.00 0.00 C ATOM 1174 CD GLN A 76 9.614 13.725 4.115 1.00 0.00 C ATOM 1175 OE1 GLN A 76 9.521 14.889 3.734 1.00 0.00 O ATOM 1176 NE2 GLN A 76 9.240 13.398 5.344 1.00 0.00 N ATOM 0 H GLN A 76 9.910 12.496 0.600 1.00 0.00 H new ATOM 0 HA GLN A 76 12.808 12.595 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.261 12.928 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.416 14.063 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.378 12.448 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.258 11.711 3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.317 12.431 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.875 14.113 5.973 1.00 0.00 H new ATOM 1185 N PHE A 77 11.018 9.935 1.674 1.00 0.00 N ATOM 1186 CA PHE A 77 11.121 8.545 2.080 1.00 0.00 C ATOM 1187 C PHE A 77 11.729 7.666 0.980 1.00 0.00 C ATOM 1188 O PHE A 77 12.160 6.546 1.259 1.00 0.00 O ATOM 1189 CB PHE A 77 9.770 8.006 2.550 1.00 0.00 C ATOM 1190 CG PHE A 77 9.092 8.806 3.652 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.247 9.875 3.313 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.260 8.465 5.007 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.549 10.581 4.301 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.535 9.154 6.006 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.674 10.211 5.643 1.00 0.00 C ATOM 0 H PHE A 77 10.066 10.252 1.491 1.00 0.00 H new ATOM 0 HA PHE A 77 11.807 8.506 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.099 7.961 1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 77 9.909 6.983 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.134 10.157 2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.944 7.676 5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.915 11.411 4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.640 8.872 7.043 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.111 10.734 6.402 1.00 0.00 H new ATOM 1205 N ALA A 78 11.807 8.170 -0.259 1.00 0.00 N ATOM 1206 CA ALA A 78 12.400 7.459 -1.378 1.00 0.00 C ATOM 1207 C ALA A 78 13.863 7.114 -1.132 1.00 0.00 C ATOM 1208 O ALA A 78 14.320 6.062 -1.582 1.00 0.00 O ATOM 1209 CB ALA A 78 12.279 8.300 -2.648 1.00 0.00 C ATOM 0 H ALA A 78 11.453 9.094 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 78 11.855 6.522 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.725 7.762 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.227 8.491 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.798 9.248 -2.508 1.00 0.00 H new ATOM 1215 N ASP A 79 14.588 7.959 -0.401 1.00 0.00 N ATOM 1216 CA ASP A 79 16.003 7.738 -0.140 1.00 0.00 C ATOM 1217 C ASP A 79 16.190 6.484 0.703 1.00 0.00 C ATOM 1218 O ASP A 79 17.054 5.652 0.408 1.00 0.00 O ATOM 1219 CB ASP A 79 16.601 8.935 0.600 1.00 0.00 C ATOM 1220 CG ASP A 79 16.972 10.107 -0.314 1.00 0.00 C ATOM 1221 OD1 ASP A 79 17.243 9.877 -1.518 1.00 0.00 O ATOM 1222 OD2 ASP A 79 17.127 11.231 0.203 1.00 0.00 O ATOM 0 H ASP A 79 14.212 8.808 0.022 1.00 0.00 H new ATOM 0 HA ASP A 79 16.513 7.614 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.887 9.281 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.492 8.610 1.137 1.00 0.00 H new ATOM 1227 N ALA A 80 15.382 6.351 1.753 1.00 0.00 N ATOM 1228 CA ALA A 80 15.395 5.227 2.672 1.00 0.00 C ATOM 1229 C ALA A 80 14.911 3.949 1.977 1.00 0.00 C ATOM 1230 O ALA A 80 15.501 2.887 2.191 1.00 0.00 O ATOM 1231 CB ALA A 80 14.519 5.574 3.879 1.00 0.00 C ATOM 0 H ALA A 80 14.678 7.050 1.991 1.00 0.00 H new ATOM 0 HA ALA A 80 16.414 5.037 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.518 4.739 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.915 6.462 4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.500 5.769 3.545 1.00 0.00 H new ATOM 1237 N ILE A 81 13.870 4.038 1.141 1.00 0.00 N ATOM 1238 CA ILE A 81 13.400 2.915 0.327 1.00 0.00 C ATOM 1239 C ILE A 81 14.553 2.433 -0.563 1.00 0.00 C ATOM 1240 O ILE A 81 14.802 1.230 -0.661 1.00 0.00 O ATOM 1241 CB ILE A 81 12.149 3.329 -0.493 1.00 0.00 C ATOM 1242 CG1 ILE A 81 10.925 3.516 0.430 1.00 0.00 C ATOM 1243 CG2 ILE A 81 11.796 2.305 -1.594 1.00 0.00 C ATOM 1244 CD1 ILE A 81 9.756 4.266 -0.224 1.00 0.00 C ATOM 0 H ILE A 81 13.330 4.893 1.011 1.00 0.00 H new ATOM 0 HA ILE A 81 13.093 2.086 0.964 1.00 0.00 H new ATOM 0 HB ILE A 81 12.400 4.274 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.577 2.536 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.236 4.058 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.914 2.644 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.633 2.211 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.592 1.336 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.937 4.356 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.085 5.260 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.415 3.715 -1.101 1.00 0.00 H new ATOM 1256 N ALA A 82 15.256 3.357 -1.227 1.00 0.00 N ATOM 1257 CA ALA A 82 16.244 2.999 -2.238 1.00 0.00 C ATOM 1258 C ALA A 82 17.370 2.167 -1.632 1.00 0.00 C ATOM 1259 O ALA A 82 17.723 1.117 -2.173 1.00 0.00 O ATOM 1260 CB ALA A 82 16.798 4.277 -2.866 1.00 0.00 C ATOM 0 H ALA A 82 15.155 4.361 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 82 15.765 2.392 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.538 4.019 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.985 4.837 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.267 4.888 -2.094 1.00 0.00 H new ATOM 1266 N GLN A 83 17.922 2.656 -0.520 1.00 0.00 N ATOM 1267 CA GLN A 83 19.104 2.111 0.132 1.00 0.00 C ATOM 1268 C GLN A 83 18.888 0.711 0.693 1.00 0.00 C ATOM 1269 O GLN A 83 19.868 -0.009 0.881 1.00 0.00 O ATOM 1270 CB GLN A 83 19.509 3.044 1.268 1.00 0.00 C ATOM 1271 CG GLN A 83 20.122 4.344 0.752 1.00 0.00 C ATOM 1272 CD GLN A 83 20.271 5.318 1.907 1.00 0.00 C ATOM 1273 OE1 GLN A 83 21.298 5.322 2.576 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.242 6.077 2.231 1.00 0.00 N ATOM 0 H GLN A 83 17.542 3.470 -0.036 1.00 0.00 H new ATOM 0 HA GLN A 83 19.886 2.034 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.635 3.273 1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 83 20.225 2.537 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.094 4.147 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.490 4.775 -0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.396 6.060 1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.292 6.681 3.051 1.00 0.00 H new ATOM 1283 N ALA A 84 17.646 0.325 0.992 1.00 0.00 N ATOM 1284 CA ALA A 84 17.345 -1.030 1.429 1.00 0.00 C ATOM 1285 C ALA A 84 17.688 -2.004 0.298 1.00 0.00 C ATOM 1286 O ALA A 84 18.401 -2.988 0.506 1.00 0.00 O ATOM 1287 CB ALA A 84 15.874 -1.107 1.836 1.00 0.00 C ATOM 0 H ALA A 84 16.833 0.938 0.938 1.00 0.00 H new ATOM 0 HA ALA A 84 17.943 -1.305 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.640 -2.120 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.685 -0.408 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.246 -0.848 0.983 1.00 0.00 H new ATOM 1293 N GLY A 85 17.245 -1.677 -0.916 1.00 0.00 N ATOM 1294 CA GLY A 85 17.596 -2.386 -2.134 1.00 0.00 C ATOM 1295 C GLY A 85 16.394 -2.498 -3.051 1.00 0.00 C ATOM 1296 O GLY A 85 16.014 -3.603 -3.440 1.00 0.00 O ATOM 0 H GLY A 85 16.616 -0.890 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.403 -1.863 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.967 -3.381 -1.888 1.00 0.00 H new ATOM 1300 N TYR A 86 15.791 -1.356 -3.387 1.00 0.00 N ATOM 1301 CA TYR A 86 14.636 -1.272 -4.269 1.00 0.00 C ATOM 1302 C TYR A 86 14.842 -0.130 -5.272 1.00 0.00 C ATOM 1303 O TYR A 86 15.759 0.678 -5.124 1.00 0.00 O ATOM 1304 CB TYR A 86 13.366 -1.043 -3.430 1.00 0.00 C ATOM 1305 CG TYR A 86 13.087 -2.025 -2.299 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.977 -3.409 -2.539 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.859 -1.541 -1.000 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.601 -4.294 -1.510 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.459 -2.408 0.025 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.299 -3.788 -0.225 1.00 0.00 C ATOM 1311 OH TYR A 86 11.838 -4.596 0.768 1.00 0.00 O ATOM 0 H TYR A 86 16.102 -0.447 -3.044 1.00 0.00 H new ATOM 0 HA TYR A 86 14.522 -2.204 -4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.421 -0.042 -3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.510 -1.054 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.184 -3.797 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.993 -0.490 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.544 -5.355 -1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.272 -2.018 1.014 1.00 0.00 H new ATOM 0 HH TYR A 86 11.393 -5.376 0.375 1.00 0.00 H new ATOM 1321 N SER A 87 13.957 -0.035 -6.266 1.00 0.00 N ATOM 1322 CA SER A 87 13.883 1.051 -7.234 1.00 0.00 C ATOM 1323 C SER A 87 12.432 1.531 -7.294 1.00 0.00 C ATOM 1324 O SER A 87 11.575 0.834 -7.846 1.00 0.00 O ATOM 1325 CB SER A 87 14.310 0.556 -8.620 1.00 0.00 C ATOM 1326 OG SER A 87 15.707 0.426 -8.808 1.00 0.00 O ATOM 0 H SER A 87 13.243 -0.746 -6.422 1.00 0.00 H new ATOM 0 HA SER A 87 14.548 1.861 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.843 -0.412 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.921 1.244 -9.370 1.00 0.00 H new ATOM 0 HG SER A 87 15.886 0.104 -9.716 1.00 0.00 H new ATOM 1332 N ALA A 88 12.132 2.705 -6.738 1.00 0.00 N ATOM 1333 CA ALA A 88 10.842 3.357 -6.929 1.00 0.00 C ATOM 1334 C ALA A 88 10.720 3.951 -8.335 1.00 0.00 C ATOM 1335 O ALA A 88 11.610 3.801 -9.174 1.00 0.00 O ATOM 1336 CB ALA A 88 10.651 4.431 -5.859 1.00 0.00 C ATOM 0 H ALA A 88 12.776 3.227 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 88 10.054 2.611 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.687 4.919 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.683 3.970 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.447 5.171 -5.940 1.00 0.00 H new ATOM 1342 N THR A 89 9.596 4.604 -8.603 1.00 0.00 N ATOM 1343 CA THR A 89 9.423 5.525 -9.708 1.00 0.00 C ATOM 1344 C THR A 89 9.370 6.936 -9.097 1.00 0.00 C ATOM 1345 O THR A 89 9.767 7.163 -7.953 1.00 0.00 O ATOM 1346 CB THR A 89 8.211 5.127 -10.593 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.966 5.565 -10.078 1.00 0.00 O ATOM 1348 CG2 THR A 89 8.125 3.614 -10.838 1.00 0.00 C ATOM 0 H THR A 89 8.755 4.500 -8.035 1.00 0.00 H new ATOM 0 HA THR A 89 10.254 5.495 -10.413 1.00 0.00 H new ATOM 0 HB THR A 89 8.399 5.639 -11.537 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.246 5.285 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.259 3.395 -11.462 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.030 3.275 -11.342 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.025 3.096 -9.884 1.00 0.00 H new ATOM 1356 N LYS A 90 8.908 7.908 -9.873 1.00 0.00 N ATOM 1357 CA LYS A 90 8.645 9.281 -9.452 1.00 0.00 C ATOM 1358 C LYS A 90 7.154 9.506 -9.201 1.00 0.00 C ATOM 1359 O LYS A 90 6.723 10.650 -9.105 1.00 0.00 O ATOM 1360 CB LYS A 90 9.199 10.217 -10.538 1.00 0.00 C ATOM 1361 CG LYS A 90 10.490 10.931 -10.106 1.00 0.00 C ATOM 1362 CD LYS A 90 10.197 12.342 -9.574 1.00 0.00 C ATOM 1363 CE LYS A 90 11.384 12.954 -8.817 1.00 0.00 C ATOM 1364 NZ LYS A 90 11.294 12.720 -7.361 1.00 0.00 N ATOM 0 H LYS A 90 8.696 7.755 -10.859 1.00 0.00 H new ATOM 0 HA LYS A 90 9.141 9.491 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.393 9.641 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.444 10.962 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.991 10.346 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.174 10.994 -10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.931 12.991 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.332 12.303 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.313 12.528 -9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.423 14.026 -9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.115 13.150 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.420 13.148 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.283 11.697 -7.174 1.00 0.00 H new ATOM 1378 N GLY A 91 6.354 8.444 -9.161 1.00 0.00 N ATOM 1379 CA GLY A 91 4.918 8.506 -8.938 1.00 0.00 C ATOM 1380 C GLY A 91 4.523 7.607 -7.783 1.00 0.00 C ATOM 1381 O GLY A 91 3.627 7.951 -7.010 1.00 0.00 O ATOM 0 H GLY A 91 6.699 7.492 -9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.621 9.533 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.390 8.201 -9.841 1.00 0.00 H new ATOM 1385 N LEU A 92 5.207 6.472 -7.651 1.00 0.00 N ATOM 1386 CA LEU A 92 4.985 5.472 -6.607 1.00 0.00 C ATOM 1387 C LEU A 92 6.257 4.647 -6.425 1.00 0.00 C ATOM 1388 O LEU A 92 7.195 4.812 -7.203 1.00 0.00 O ATOM 1389 CB LEU A 92 3.741 4.615 -6.912 1.00 0.00 C ATOM 1390 CG LEU A 92 3.584 4.035 -8.330 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.627 2.969 -8.680 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.174 3.441 -8.421 1.00 0.00 C ATOM 0 H LEU A 92 5.958 6.214 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 92 4.773 5.966 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.731 3.782 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.860 5.221 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 92 3.740 4.839 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.452 2.608 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.625 3.402 -8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.547 2.138 -7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.021 3.018 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.060 2.658 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.437 4.224 -8.243 1.00 0.00 H new ATOM 1404 N PHE A 93 6.329 3.767 -5.422 1.00 0.00 N ATOM 1405 CA PHE A 93 7.431 2.808 -5.323 1.00 0.00 C ATOM 1406 C PHE A 93 6.949 1.430 -5.736 1.00 0.00 C ATOM 1407 O PHE A 93 5.742 1.179 -5.796 1.00 0.00 O ATOM 1408 CB PHE A 93 8.119 2.810 -3.951 1.00 0.00 C ATOM 1409 CG PHE A 93 7.302 2.268 -2.799 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.333 0.902 -2.455 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.520 3.152 -2.047 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.581 0.434 -1.360 1.00 0.00 C ATOM 1413 CE2 PHE A 93 5.767 2.689 -0.963 1.00 0.00 C ATOM 1414 CZ PHE A 93 5.804 1.331 -0.610 1.00 0.00 C ATOM 0 H PHE A 93 5.641 3.699 -4.672 1.00 0.00 H new ATOM 0 HA PHE A 93 8.210 3.124 -6.017 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.037 2.227 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.410 3.833 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.934 0.214 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.498 4.200 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.602 -0.613 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.157 3.377 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.236 0.977 0.237 1.00 0.00 H new ATOM 1424 N ARG A 94 7.890 0.531 -6.041 1.00 0.00 N ATOM 1425 CA ARG A 94 7.565 -0.822 -6.456 1.00 0.00 C ATOM 1426 C ARG A 94 8.575 -1.809 -5.895 1.00 0.00 C ATOM 1427 O ARG A 94 9.770 -1.659 -6.138 1.00 0.00 O ATOM 1428 CB ARG A 94 7.354 -0.901 -7.977 1.00 0.00 C ATOM 1429 CG ARG A 94 8.507 -0.454 -8.897 1.00 0.00 C ATOM 1430 CD ARG A 94 9.508 -1.571 -9.246 1.00 0.00 C ATOM 1431 NE ARG A 94 9.712 -1.666 -10.705 1.00 0.00 N ATOM 1432 CZ ARG A 94 10.309 -2.667 -11.361 1.00 0.00 C ATOM 1433 NH1 ARG A 94 10.842 -3.700 -10.729 1.00 0.00 N ATOM 1434 NH2 ARG A 94 10.381 -2.653 -12.682 1.00 0.00 N ATOM 0 H ARG A 94 8.890 0.727 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 94 6.606 -1.117 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.111 -1.934 -8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.479 -0.299 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.086 -0.057 -9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.045 0.363 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.461 -1.376 -8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.142 -2.524 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 94 9.363 -0.891 -11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.805 -3.750 -9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.290 -4.447 -11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.980 -1.876 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.838 -3.420 -13.176 1.00 0.00 H new ATOM 1448 N ILE A 95 8.097 -2.765 -5.107 1.00 0.00 N ATOM 1449 CA ILE A 95 8.904 -3.815 -4.490 1.00 0.00 C ATOM 1450 C ILE A 95 8.814 -5.017 -5.436 1.00 0.00 C ATOM 1451 O ILE A 95 7.741 -5.238 -5.999 1.00 0.00 O ATOM 1452 CB ILE A 95 8.294 -4.113 -3.094 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.177 -2.847 -2.214 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.020 -5.216 -2.307 1.00 0.00 C ATOM 1455 CD1 ILE A 95 9.472 -2.046 -2.033 1.00 0.00 C ATOM 0 H ILE A 95 7.107 -2.834 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 95 9.950 -3.546 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 95 7.295 -4.484 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.423 -2.191 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.813 -3.142 -1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.529 -5.360 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.989 -6.147 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.058 -4.924 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.279 -1.180 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.227 -2.677 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.832 -1.711 -3.006 1.00 0.00 H new ATOM 1467 N PRO A 96 9.870 -5.828 -5.634 1.00 0.00 N ATOM 1468 CA PRO A 96 9.776 -7.014 -6.483 1.00 0.00 C ATOM 1469 C PRO A 96 8.885 -8.054 -5.801 1.00 0.00 C ATOM 1470 O PRO A 96 8.815 -8.102 -4.571 1.00 0.00 O ATOM 1471 CB PRO A 96 11.213 -7.534 -6.616 1.00 0.00 C ATOM 1472 CG PRO A 96 11.832 -7.103 -5.291 1.00 0.00 C ATOM 1473 CD PRO A 96 11.185 -5.748 -5.014 1.00 0.00 C ATOM 0 HA PRO A 96 9.341 -6.799 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.245 -8.616 -6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.729 -7.093 -7.469 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.618 -7.819 -4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.917 -7.022 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.106 -5.559 -3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.773 -4.935 -5.439 1.00 0.00 H new ATOM 1481 N TRP A 97 8.264 -8.956 -6.566 1.00 0.00 N ATOM 1482 CA TRP A 97 7.543 -10.066 -5.945 1.00 0.00 C ATOM 1483 C TRP A 97 8.428 -11.049 -5.159 1.00 0.00 C ATOM 1484 O TRP A 97 7.898 -11.844 -4.386 1.00 0.00 O ATOM 1485 CB TRP A 97 6.713 -10.811 -6.996 1.00 0.00 C ATOM 1486 CG TRP A 97 5.430 -10.141 -7.386 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.929 -10.033 -8.638 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.425 -9.553 -6.506 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.722 -9.354 -8.602 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.391 -8.993 -7.310 1.00 0.00 C ATOM 1491 CE3 TRP A 97 4.266 -9.475 -5.105 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.304 -8.308 -6.745 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 3.159 -8.838 -4.529 1.00 0.00 C ATOM 1494 CH2 TRP A 97 2.188 -8.243 -5.348 1.00 0.00 C ATOM 0 H TRP A 97 8.245 -8.942 -7.586 1.00 0.00 H new ATOM 0 HA TRP A 97 6.889 -9.612 -5.201 1.00 0.00 H new ATOM 0 HB2 TRP A 97 7.322 -10.943 -7.890 1.00 0.00 H new ATOM 0 HB3 TRP A 97 6.484 -11.807 -6.616 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.399 -10.418 -9.531 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.152 -9.147 -9.422 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.014 -9.916 -4.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.566 -7.837 -7.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.053 -8.805 -3.455 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.347 -7.733 -4.901 1.00 0.00 H new ATOM 1505 N ASN A 98 9.748 -11.028 -5.366 1.00 0.00 N ATOM 1506 CA ASN A 98 10.688 -11.936 -4.710 1.00 0.00 C ATOM 1507 C ASN A 98 10.861 -11.613 -3.226 1.00 0.00 C ATOM 1508 O ASN A 98 10.707 -12.483 -2.373 1.00 0.00 O ATOM 1509 CB ASN A 98 12.054 -11.869 -5.413 1.00 0.00 C ATOM 1510 CG ASN A 98 13.057 -12.812 -4.754 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.128 -13.983 -5.108 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.867 -12.338 -3.822 1.00 0.00 N ATOM 0 H ASN A 98 10.198 -10.370 -6.003 1.00 0.00 H new ATOM 0 HA ASN A 98 10.276 -12.942 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.939 -12.132 -6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.434 -10.848 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.560 -12.949 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.799 -11.361 -3.535 1.00 0.00 H new ATOM 1519 N ASP A 99 11.279 -10.381 -2.937 1.00 0.00 N ATOM 1520 CA ASP A 99 11.792 -9.980 -1.627 1.00 0.00 C ATOM 1521 C ASP A 99 10.649 -9.741 -0.636 1.00 0.00 C ATOM 1522 O ASP A 99 9.494 -9.601 -1.052 1.00 0.00 O ATOM 1523 CB ASP A 99 12.644 -8.701 -1.759 1.00 0.00 C ATOM 1524 CG ASP A 99 14.138 -8.982 -1.813 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.557 -9.979 -2.448 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.903 -8.170 -1.244 1.00 0.00 O ATOM 0 H ASP A 99 11.271 -9.621 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 99 12.413 -10.791 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.348 -8.166 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.434 -8.043 -0.915 1.00 0.00 H new ATOM 1531 N PRO A 100 10.941 -9.651 0.673 1.00 0.00 N ATOM 1532 CA PRO A 100 10.028 -9.026 1.616 1.00 0.00 C ATOM 1533 C PRO A 100 9.837 -7.537 1.281 1.00 0.00 C ATOM 1534 O PRO A 100 10.495 -6.953 0.413 1.00 0.00 O ATOM 1535 CB PRO A 100 10.650 -9.254 3.000 1.00 0.00 C ATOM 1536 CG PRO A 100 12.145 -9.279 2.693 1.00 0.00 C ATOM 1537 CD PRO A 100 12.198 -9.982 1.338 1.00 0.00 C ATOM 0 HA PRO A 100 9.027 -9.455 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.393 -8.456 3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.312 -10.189 3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.565 -8.274 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.705 -9.823 3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.052 -9.641 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.305 -11.060 1.460 1.00 0.00 H new ATOM 1545 N VAL A 101 8.915 -6.910 1.998 1.00 0.00 N ATOM 1546 CA VAL A 101 8.433 -5.548 1.809 1.00 0.00 C ATOM 1547 C VAL A 101 8.907 -4.719 3.019 1.00 0.00 C ATOM 1548 O VAL A 101 9.545 -5.265 3.919 1.00 0.00 O ATOM 1549 CB VAL A 101 6.907 -5.638 1.528 1.00 0.00 C ATOM 1550 CG1 VAL A 101 6.155 -6.592 2.469 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.179 -4.289 1.467 1.00 0.00 C ATOM 0 H VAL A 101 8.452 -7.371 2.781 1.00 0.00 H new ATOM 0 HA VAL A 101 8.836 -5.014 0.948 1.00 0.00 H new ATOM 0 HB VAL A 101 6.883 -6.060 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.096 -6.600 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.561 -7.598 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.273 -6.255 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.121 -4.455 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.291 -3.772 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.608 -3.680 0.671 1.00 0.00 H new ATOM 1561 N HIS A 102 8.676 -3.400 3.041 1.00 0.00 N ATOM 1562 CA HIS A 102 9.134 -2.525 4.120 1.00 0.00 C ATOM 1563 C HIS A 102 7.969 -1.836 4.810 1.00 0.00 C ATOM 1564 O HIS A 102 7.702 -0.647 4.625 1.00 0.00 O ATOM 1565 CB HIS A 102 10.228 -1.558 3.632 1.00 0.00 C ATOM 1566 CG HIS A 102 11.570 -1.867 4.227 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.083 -1.357 5.400 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.527 -2.652 3.655 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.345 -1.795 5.504 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.667 -2.567 4.456 1.00 0.00 N ATOM 0 H HIS A 102 8.164 -2.911 2.307 1.00 0.00 H new ATOM 0 HA HIS A 102 9.605 -3.141 4.886 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.295 -1.608 2.545 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.947 -0.536 3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.422 -3.232 2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.012 -1.559 6.320 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.570 -3.007 4.279 1.00 0.00 H new ATOM 1578 N TYR A 103 7.302 -2.599 5.673 1.00 0.00 N ATOM 1579 CA TYR A 103 6.219 -2.111 6.512 1.00 0.00 C ATOM 1580 C TYR A 103 6.674 -0.914 7.360 1.00 0.00 C ATOM 1581 O TYR A 103 5.883 -0.008 7.618 1.00 0.00 O ATOM 1582 CB TYR A 103 5.726 -3.252 7.403 1.00 0.00 C ATOM 1583 CG TYR A 103 4.880 -4.337 6.760 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.837 -4.573 5.370 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.107 -5.141 7.612 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.028 -5.599 4.855 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.308 -6.175 7.110 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.280 -6.421 5.726 1.00 0.00 C ATOM 1589 OH TYR A 103 2.517 -7.428 5.238 1.00 0.00 O ATOM 0 H TYR A 103 7.505 -3.589 5.808 1.00 0.00 H new ATOM 0 HA TYR A 103 5.402 -1.767 5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.598 -3.728 7.851 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.148 -2.815 8.218 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.427 -3.964 4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.129 -4.958 8.676 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.978 -5.760 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.717 -6.780 7.782 1.00 0.00 H new ATOM 0 HH TYR A 103 2.824 -8.281 5.610 1.00 0.00 H new ATOM 1599 N GLU A 104 7.956 -0.847 7.734 1.00 0.00 N ATOM 1600 CA GLU A 104 8.466 0.258 8.527 1.00 0.00 C ATOM 1601 C GLU A 104 8.463 1.579 7.745 1.00 0.00 C ATOM 1602 O GLU A 104 8.205 2.625 8.339 1.00 0.00 O ATOM 1603 CB GLU A 104 9.871 -0.085 9.016 1.00 0.00 C ATOM 1604 CG GLU A 104 10.292 0.812 10.184 1.00 0.00 C ATOM 1605 CD GLU A 104 11.747 0.547 10.541 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.071 -0.624 10.867 1.00 0.00 O ATOM 1607 OE2 GLU A 104 12.585 1.463 10.369 1.00 0.00 O ATOM 0 H GLU A 104 8.655 -1.551 7.496 1.00 0.00 H new ATOM 0 HA GLU A 104 7.806 0.403 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.905 -1.129 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.580 0.026 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.159 1.860 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.656 0.621 11.048 1.00 0.00 H new ATOM 1614 N LEU A 105 8.745 1.573 6.434 1.00 0.00 N ATOM 1615 CA LEU A 105 8.646 2.809 5.649 1.00 0.00 C ATOM 1616 C LEU A 105 7.185 3.124 5.368 1.00 0.00 C ATOM 1617 O LEU A 105 6.810 4.295 5.400 1.00 0.00 O ATOM 1618 CB LEU A 105 9.396 2.747 4.299 1.00 0.00 C ATOM 1619 CG LEU A 105 10.909 3.025 4.334 1.00 0.00 C ATOM 1620 CD1 LEU A 105 11.170 4.525 4.518 1.00 0.00 C ATOM 1621 CD2 LEU A 105 11.657 2.209 5.391 1.00 0.00 C ATOM 0 H LEU A 105 9.036 0.749 5.907 1.00 0.00 H new ATOM 0 HA LEU A 105 9.116 3.586 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.242 1.757 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.934 3.464 3.620 1.00 0.00 H new ATOM 0 HG LEU A 105 11.305 2.702 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.244 4.707 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.726 5.076 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.725 4.859 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.718 2.457 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.260 2.443 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.526 1.146 5.190 1.00 0.00 H new ATOM 1633 N LEU A 106 6.361 2.101 5.128 1.00 0.00 N ATOM 1634 CA LEU A 106 4.926 2.267 4.942 1.00 0.00 C ATOM 1635 C LEU A 106 4.335 3.030 6.120 1.00 0.00 C ATOM 1636 O LEU A 106 3.695 4.063 5.922 1.00 0.00 O ATOM 1637 CB LEU A 106 4.240 0.903 4.764 1.00 0.00 C ATOM 1638 CG LEU A 106 4.137 0.452 3.298 1.00 0.00 C ATOM 1639 CD1 LEU A 106 4.608 -0.986 3.081 1.00 0.00 C ATOM 1640 CD2 LEU A 106 2.687 0.571 2.827 1.00 0.00 C ATOM 0 H LEU A 106 6.676 1.133 5.058 1.00 0.00 H new ATOM 0 HA LEU A 106 4.752 2.845 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.792 0.152 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.239 0.951 5.192 1.00 0.00 H new ATOM 0 HG LEU A 106 4.793 1.104 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.511 -1.245 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.652 -1.076 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.998 -1.663 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.615 0.251 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.050 -0.061 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.361 1.608 2.911 1.00 0.00 H new ATOM 1652 N LYS A 107 4.548 2.529 7.340 1.00 0.00 N ATOM 1653 CA LYS A 107 3.958 3.088 8.542 1.00 0.00 C ATOM 1654 C LYS A 107 4.448 4.514 8.772 1.00 0.00 C ATOM 1655 O LYS A 107 3.612 5.398 8.933 1.00 0.00 O ATOM 1656 CB LYS A 107 4.170 2.121 9.718 1.00 0.00 C ATOM 1657 CG LYS A 107 5.478 2.286 10.472 1.00 0.00 C ATOM 1658 CD LYS A 107 5.756 1.174 11.477 1.00 0.00 C ATOM 1659 CE LYS A 107 4.698 1.101 12.584 1.00 0.00 C ATOM 1660 NZ LYS A 107 4.552 2.366 13.325 1.00 0.00 N ATOM 0 H LYS A 107 5.141 1.717 7.514 1.00 0.00 H new ATOM 0 HA LYS A 107 2.878 3.187 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.347 2.246 10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.114 1.100 9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.297 2.327 9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.466 3.242 10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.796 0.218 10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.736 1.332 11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.738 0.831 12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.964 0.306 13.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.070 2.185 14.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.492 2.771 13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.991 3.036 12.761 1.00 0.00 H new ATOM 1674 N GLN A 108 5.768 4.751 8.718 1.00 0.00 N ATOM 1675 CA GLN A 108 6.332 6.066 9.011 1.00 0.00 C ATOM 1676 C GLN A 108 5.670 7.136 8.144 1.00 0.00 C ATOM 1677 O GLN A 108 5.174 8.140 8.653 1.00 0.00 O ATOM 1678 CB GLN A 108 7.871 6.084 8.992 1.00 0.00 C ATOM 1679 CG GLN A 108 8.465 5.829 7.642 1.00 0.00 C ATOM 1680 CD GLN A 108 9.977 5.618 7.714 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.762 6.468 7.311 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.429 4.474 8.199 1.00 0.00 N ATOM 0 H GLN A 108 6.461 4.044 8.473 1.00 0.00 H new ATOM 0 HA GLN A 108 6.093 6.316 10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.218 7.052 9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.242 5.332 9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.997 4.950 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.247 6.671 6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.774 3.768 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.433 4.298 8.238 1.00 0.00 H new ATOM 1691 N MET A 109 5.599 6.893 6.832 1.00 0.00 N ATOM 1692 CA MET A 109 5.041 7.889 5.945 1.00 0.00 C ATOM 1693 C MET A 109 3.527 7.996 6.099 1.00 0.00 C ATOM 1694 O MET A 109 3.019 9.111 6.054 1.00 0.00 O ATOM 1695 CB MET A 109 5.493 7.659 4.500 1.00 0.00 C ATOM 1696 CG MET A 109 4.876 6.437 3.823 1.00 0.00 C ATOM 1697 SD MET A 109 5.530 6.153 2.166 1.00 0.00 S ATOM 1698 CE MET A 109 7.229 5.613 2.492 1.00 0.00 C ATOM 0 H MET A 109 5.915 6.035 6.380 1.00 0.00 H new ATOM 0 HA MET A 109 5.435 8.863 6.235 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.249 8.544 3.913 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.578 7.556 4.486 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.059 5.555 4.437 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.795 6.566 3.765 1.00 0.00 H new ATOM 0 HE1 MET A 109 7.895 6.030 1.736 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.538 5.959 3.478 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.278 4.525 2.458 1.00 0.00 H new ATOM 1708 N ILE A 110 2.779 6.899 6.248 1.00 0.00 N ATOM 1709 CA ILE A 110 1.319 6.993 6.241 1.00 0.00 C ATOM 1710 C ILE A 110 0.847 7.703 7.522 1.00 0.00 C ATOM 1711 O ILE A 110 0.078 8.656 7.427 1.00 0.00 O ATOM 1712 CB ILE A 110 0.696 5.609 5.926 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.712 5.687 5.306 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.737 4.621 7.097 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.829 6.014 6.289 1.00 0.00 C ATOM 0 H ILE A 110 3.150 5.957 6.372 1.00 0.00 H new ATOM 0 HA ILE A 110 0.950 7.625 5.433 1.00 0.00 H new ATOM 0 HB ILE A 110 1.355 5.203 5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.706 6.443 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.936 4.733 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.282 3.678 6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.772 4.446 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.186 5.035 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.781 6.047 5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.870 5.246 7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.636 6.983 6.750 1.00 0.00 H new ATOM 1727 N GLU A 111 1.366 7.316 8.694 1.00 0.00 N ATOM 1728 CA GLU A 111 1.053 7.932 9.988 1.00 0.00 C ATOM 1729 C GLU A 111 1.317 9.436 9.949 1.00 0.00 C ATOM 1730 O GLU A 111 0.498 10.232 10.416 1.00 0.00 O ATOM 1731 CB GLU A 111 1.909 7.303 11.100 1.00 0.00 C ATOM 1732 CG GLU A 111 1.559 5.840 11.390 1.00 0.00 C ATOM 1733 CD GLU A 111 2.545 5.225 12.384 1.00 0.00 C ATOM 1734 OE1 GLU A 111 2.461 5.501 13.603 1.00 0.00 O ATOM 1735 OE2 GLU A 111 3.455 4.467 11.976 1.00 0.00 O ATOM 0 H GLU A 111 2.032 6.547 8.770 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.003 7.758 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.960 7.367 10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.788 7.885 12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.547 5.777 11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.570 5.269 10.461 1.00 0.00 H new ATOM 1742 N PHE A 112 2.460 9.826 9.379 1.00 0.00 N ATOM 1743 CA PHE A 112 2.806 11.220 9.207 1.00 0.00 C ATOM 1744 C PHE A 112 1.841 11.901 8.246 1.00 0.00 C ATOM 1745 O PHE A 112 1.296 12.937 8.591 1.00 0.00 O ATOM 1746 CB PHE A 112 4.252 11.334 8.728 1.00 0.00 C ATOM 1747 CG PHE A 112 4.685 12.757 8.442 1.00 0.00 C ATOM 1748 CD1 PHE A 112 5.165 13.567 9.485 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.542 13.298 7.148 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.509 14.902 9.223 1.00 0.00 C ATOM 1751 CE2 PHE A 112 4.892 14.633 6.890 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.394 15.430 7.928 1.00 0.00 C ATOM 0 H PHE A 112 3.164 9.177 9.027 1.00 0.00 H new ATOM 0 HA PHE A 112 2.721 11.733 10.165 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.911 10.907 9.484 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.375 10.737 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.269 13.165 10.482 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.160 12.680 6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.866 15.529 10.026 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.775 15.043 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.692 16.449 7.731 1.00 0.00 H new ATOM 1762 N ASN A 113 1.597 11.344 7.057 1.00 0.00 N ATOM 1763 CA ASN A 113 0.816 12.005 6.003 1.00 0.00 C ATOM 1764 C ASN A 113 -0.618 12.299 6.463 1.00 0.00 C ATOM 1765 O ASN A 113 -1.260 13.187 5.908 1.00 0.00 O ATOM 1766 CB ASN A 113 0.799 11.131 4.733 1.00 0.00 C ATOM 1767 CG ASN A 113 0.621 11.885 3.415 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.332 11.581 2.460 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.291 12.834 3.312 1.00 0.00 N ATOM 0 H ASN A 113 1.936 10.418 6.795 1.00 0.00 H new ATOM 0 HA ASN A 113 1.294 12.959 5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.733 10.570 4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.006 10.402 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.415 13.329 2.429 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.872 13.072 4.116 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.126 11.557 7.450 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.373 11.851 8.137 1.00 0.00 C ATOM 1778 C ILE A 114 -2.157 13.023 9.102 1.00 0.00 C ATOM 1779 O ILE A 114 -2.884 14.011 9.012 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.884 10.588 8.864 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.189 9.430 7.880 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -4.173 10.899 9.640 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.397 8.074 8.574 1.00 0.00 C ATOM 0 H ILE A 114 -0.666 10.716 7.798 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.138 12.144 7.418 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.088 10.280 9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.083 9.677 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.368 9.343 7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.519 9.998 10.146 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.975 11.676 10.378 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.941 11.244 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.606 7.310 7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.496 7.805 9.125 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.237 8.144 9.265 1.00 0.00 H new ATOM 1795 N GLN A 115 -1.214 12.927 10.047 1.00 0.00 N ATOM 1796 CA GLN A 115 -1.063 13.923 11.119 1.00 0.00 C ATOM 1797 C GLN A 115 -0.683 15.298 10.576 1.00 0.00 C ATOM 1798 O GLN A 115 -1.036 16.354 11.104 1.00 0.00 O ATOM 1799 CB GLN A 115 0.010 13.463 12.064 1.00 0.00 C ATOM 1800 CG GLN A 115 -0.527 12.485 13.089 1.00 0.00 C ATOM 1801 CD GLN A 115 0.536 12.097 14.106 1.00 0.00 C ATOM 1802 OE1 GLN A 115 0.610 12.639 15.209 1.00 0.00 O ATOM 1803 NE2 GLN A 115 1.367 11.131 13.758 1.00 0.00 N ATOM 0 H GLN A 115 -0.538 12.164 10.092 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.023 14.015 11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.815 12.993 11.499 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.440 14.325 12.574 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.379 12.929 13.604 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.891 11.591 12.583 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.287 10.696 12.839 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.088 10.820 14.408 1.00 0.00 H new ATOM 1812 N ASP A 116 0.046 15.249 9.480 1.00 0.00 N ATOM 1813 CA ASP A 116 0.539 16.392 8.719 1.00 0.00 C ATOM 1814 C ASP A 116 -0.552 17.068 7.885 1.00 0.00 C ATOM 1815 O ASP A 116 -0.302 18.059 7.200 1.00 0.00 O ATOM 1816 CB ASP A 116 1.716 15.956 7.846 1.00 0.00 C ATOM 1817 CG ASP A 116 2.618 17.132 7.488 1.00 0.00 C ATOM 1818 OD1 ASP A 116 3.026 17.882 8.410 1.00 0.00 O ATOM 1819 OD2 ASP A 116 2.999 17.255 6.302 1.00 0.00 O ATOM 0 H ASP A 116 0.330 14.360 9.068 1.00 0.00 H new ATOM 0 HA ASP A 116 0.876 17.144 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.297 15.198 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.340 15.494 6.933 1.00 0.00 H new ATOM 1824 N LYS A 117 -1.768 16.520 7.929 1.00 0.00 N ATOM 1825 CA LYS A 117 -2.978 17.033 7.303 1.00 0.00 C ATOM 1826 C LYS A 117 -4.124 17.156 8.297 1.00 0.00 C ATOM 1827 O LYS A 117 -5.233 17.540 7.920 1.00 0.00 O ATOM 1828 CB LYS A 117 -3.372 16.101 6.149 1.00 0.00 C ATOM 1829 CG LYS A 117 -2.372 16.136 4.990 1.00 0.00 C ATOM 1830 CD LYS A 117 -2.444 17.455 4.202 1.00 0.00 C ATOM 1831 CE LYS A 117 -1.555 17.416 2.953 1.00 0.00 C ATOM 1832 NZ LYS A 117 -2.072 16.524 1.889 1.00 0.00 N ATOM 0 H LYS A 117 -1.940 15.652 8.436 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.775 18.035 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.452 15.080 6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.358 16.383 5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.363 16.001 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -2.568 15.301 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.476 17.648 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.135 18.280 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -1.457 18.426 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.555 17.088 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.447 15.698 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.030 16.206 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -2.102 17.041 0.987 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.891 16.797 9.553 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.895 16.710 10.588 1.00 0.00 C ATOM 1848 C GLU A 118 -5.189 18.099 11.134 1.00 0.00 C ATOM 1849 O GLU A 118 -6.385 18.455 11.204 1.00 0.00 O ATOM 1850 CB GLU A 118 -4.416 15.670 11.607 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.992 15.945 12.978 1.00 0.00 C ATOM 1852 CD GLU A 118 -4.879 14.783 13.957 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -3.756 14.272 14.156 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -5.893 14.365 14.569 1.00 0.00 O ATOM 0 H GLU A 118 -2.958 16.550 9.884 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.861 16.360 10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.710 14.673 11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.327 15.681 11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.486 16.812 13.403 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -6.043 16.211 12.869 1.00 0.00 H new TER 1861 GLU A 118