USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -54:sc= 1.13 USER MOD Set 1.2: A 70 MET CE :methyl -179:sc= -1.03 (180deg=-0.972) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -140:sc= -2.63! (180deg=-2.99!) USER MOD Set 2.2: A 94 CYS SG : rot 110:sc= -1.6 USER MOD Set 3.1: A 11 TYR OH : rot 165:sc= 0.977 USER MOD Set 3.2: A 15 HIS : no HD1:sc= 0 X(o=2.8,f=2.5) USER MOD Set 3.3: A 25 SER OG : rot -66:sc= 1.86 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.18 (180deg=-0.18) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 CYS SG : rot 71:sc= -0.029 USER MOD Single : A 10 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 13 SER OG : rot -50:sc= 1.06 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0237 K(o=-0.024,f=-0.71) USER MOD Single : A 29 HIS : no HD1:sc= -0.692 X(o=-0.69,f=-1.2) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 44 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.13) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -36:sc= 0.0429 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00135 USER MOD Single : A 78 ASN : amide:sc= -1.65 K(o=-1.6,f=-0.16) USER MOD Single : A 84 GLN : amide:sc= -0.847 K(o=-0.85,f=-5.4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -13:sc= 0.0644 USER MOD Single : A 92 LYS NZ :NH3+ 151:sc= -0.106 (180deg=-0.613) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.107 -0.621 0.380 1.00 0.00 N ATOM 2 CA MET A 1 2.607 -0.376 -0.968 1.00 0.00 C ATOM 3 C MET A 1 1.844 -1.211 -1.991 1.00 0.00 C ATOM 4 O MET A 1 1.679 -2.420 -1.821 1.00 0.00 O ATOM 5 CB MET A 1 4.101 -0.691 -1.047 1.00 0.00 C ATOM 6 CG MET A 1 4.889 0.303 -1.886 1.00 0.00 C ATOM 7 SD MET A 1 6.571 0.542 -1.282 1.00 0.00 S ATOM 8 CE MET A 1 6.574 2.307 -0.980 1.00 0.00 C ATOM 0 H1 MET A 1 2.641 -0.042 1.059 1.00 0.00 H new ATOM 0 H2 MET A 1 1.099 -0.369 0.428 1.00 0.00 H new ATOM 0 H3 MET A 1 2.224 -1.627 0.616 1.00 0.00 H new ATOM 0 HA MET A 1 2.454 0.678 -1.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.514 -0.710 -0.038 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.232 -1.690 -1.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.924 -0.046 -2.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.369 1.261 -1.891 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.550 2.610 -0.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.366 2.836 -1.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.808 2.552 -0.244 1.00 0.00 H new ATOM 18 N ASP A 2 1.381 -0.561 -3.053 1.00 0.00 N ATOM 19 CA ASP A 2 0.636 -1.245 -4.104 1.00 0.00 C ATOM 20 C ASP A 2 1.580 -1.997 -5.037 1.00 0.00 C ATOM 21 O ASP A 2 2.714 -1.576 -5.260 1.00 0.00 O ATOM 22 CB ASP A 2 -0.198 -0.242 -4.902 1.00 0.00 C ATOM 23 CG ASP A 2 -1.622 -0.139 -4.393 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.897 -0.658 -3.291 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.463 0.460 -5.096 1.00 0.00 O ATOM 0 H ASP A 2 1.508 0.439 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.031 -1.967 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.274 0.739 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.211 -0.538 -5.951 1.00 0.00 H new ATOM 30 N ASN A 3 1.104 -3.114 -5.578 1.00 0.00 N ATOM 31 CA ASN A 3 1.906 -3.926 -6.486 1.00 0.00 C ATOM 32 C ASN A 3 2.440 -3.084 -7.640 1.00 0.00 C ATOM 33 O ASN A 3 3.615 -3.176 -7.997 1.00 0.00 O ATOM 34 CB ASN A 3 1.076 -5.090 -7.030 1.00 0.00 C ATOM 35 CG ASN A 3 0.820 -6.158 -5.983 1.00 0.00 C ATOM 36 OD1 ASN A 3 -0.304 -6.323 -5.510 1.00 0.00 O ATOM 37 ND2 ASN A 3 1.867 -6.888 -5.616 1.00 0.00 N ATOM 0 H ASN A 3 0.167 -3.477 -5.403 1.00 0.00 H new ATOM 0 HA ASN A 3 2.753 -4.323 -5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.123 -4.711 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.593 -5.535 -7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.757 -7.621 -4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.781 -6.716 -6.035 1.00 0.00 H new ATOM 44 N ARG A 4 1.570 -2.264 -8.220 1.00 0.00 N ATOM 45 CA ARG A 4 1.953 -1.406 -9.335 1.00 0.00 C ATOM 46 C ARG A 4 2.960 -0.351 -8.887 1.00 0.00 C ATOM 47 O ARG A 4 3.983 -0.137 -9.538 1.00 0.00 O ATOM 48 CB ARG A 4 0.719 -0.728 -9.933 1.00 0.00 C ATOM 49 CG ARG A 4 -0.234 -1.694 -10.619 1.00 0.00 C ATOM 50 CD ARG A 4 -1.672 -1.208 -10.537 1.00 0.00 C ATOM 51 NE ARG A 4 -2.197 -1.279 -9.176 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.474 -1.077 -8.869 1.00 0.00 C ATOM 53 NH1 ARG A 4 -4.351 -0.793 -9.822 1.00 0.00 N ATOM 54 NH2 ARG A 4 -3.875 -1.158 -7.607 1.00 0.00 N ATOM 0 H ARG A 4 0.594 -2.176 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 4 2.420 -2.030 -10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.184 -0.203 -9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.041 0.024 -10.653 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.053 -1.810 -11.664 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.154 -2.677 -10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.728 -0.180 -10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.296 -1.809 -11.198 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.548 -1.496 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.046 -0.729 -10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.331 -0.638 -9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.203 -1.375 -6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.855 -1.003 -7.372 1.00 0.00 H new ATOM 68 N VAL A 5 2.663 0.307 -7.770 1.00 0.00 N ATOM 69 CA VAL A 5 3.542 1.340 -7.235 1.00 0.00 C ATOM 70 C VAL A 5 4.923 0.777 -6.918 1.00 0.00 C ATOM 71 O VAL A 5 5.939 1.430 -7.153 1.00 0.00 O ATOM 72 CB VAL A 5 2.953 1.972 -5.960 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.892 3.032 -5.406 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.579 2.561 -6.244 1.00 0.00 C ATOM 0 H VAL A 5 1.821 0.143 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 5 3.633 2.107 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 5 2.841 1.192 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.459 3.467 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.852 2.577 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.039 3.813 -6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.177 3.003 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.664 3.329 -7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.910 1.773 -6.590 1.00 0.00 H new ATOM 84 N ARG A 6 4.951 -0.440 -6.384 1.00 0.00 N ATOM 85 CA ARG A 6 6.208 -1.091 -6.034 1.00 0.00 C ATOM 86 C ARG A 6 7.064 -1.322 -7.275 1.00 0.00 C ATOM 87 O ARG A 6 8.291 -1.243 -7.218 1.00 0.00 O ATOM 88 CB ARG A 6 5.938 -2.424 -5.332 1.00 0.00 C ATOM 89 CG ARG A 6 7.000 -2.801 -4.313 1.00 0.00 C ATOM 90 CD ARG A 6 6.379 -3.203 -2.984 1.00 0.00 C ATOM 91 NE ARG A 6 7.163 -4.230 -2.302 1.00 0.00 N ATOM 92 CZ ARG A 6 7.232 -5.492 -2.709 1.00 0.00 C ATOM 93 NH1 ARG A 6 6.569 -5.881 -3.790 1.00 0.00 N ATOM 94 NH2 ARG A 6 7.966 -6.369 -2.036 1.00 0.00 N ATOM 0 H ARG A 6 4.118 -0.995 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 6 6.752 -0.434 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.970 -2.373 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.869 -3.212 -6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.600 -3.625 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.675 -1.959 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.295 -2.326 -2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.367 -3.572 -3.153 1.00 0.00 H new ATOM 0 HE ARG A 6 7.686 -3.963 -1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.004 -5.210 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.624 -6.851 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.478 -6.074 -1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.018 -7.338 -2.350 1.00 0.00 H new ATOM 108 N GLU A 7 6.409 -1.609 -8.396 1.00 0.00 N ATOM 109 CA GLU A 7 7.111 -1.853 -9.650 1.00 0.00 C ATOM 110 C GLU A 7 7.887 -0.614 -10.089 1.00 0.00 C ATOM 111 O GLU A 7 9.058 -0.700 -10.455 1.00 0.00 O ATOM 112 CB GLU A 7 6.122 -2.263 -10.743 1.00 0.00 C ATOM 113 CG GLU A 7 6.099 -3.758 -11.014 1.00 0.00 C ATOM 114 CD GLU A 7 7.469 -4.310 -11.357 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.890 -4.168 -12.524 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.120 -4.884 -10.459 1.00 0.00 O ATOM 0 H GLU A 7 5.393 -1.678 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 7 7.819 -2.666 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.122 -1.939 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.375 -1.739 -11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.712 -4.276 -10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.412 -3.964 -11.835 1.00 0.00 H new ATOM 123 N ALA A 8 7.223 0.537 -10.050 1.00 0.00 N ATOM 124 CA ALA A 8 7.850 1.793 -10.441 1.00 0.00 C ATOM 125 C ALA A 8 9.073 2.089 -9.581 1.00 0.00 C ATOM 126 O ALA A 8 10.067 2.633 -10.063 1.00 0.00 O ATOM 127 CB ALA A 8 6.847 2.934 -10.347 1.00 0.00 C ATOM 0 H ALA A 8 6.252 0.625 -9.752 1.00 0.00 H new ATOM 0 HA ALA A 8 8.182 1.698 -11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.328 3.867 -10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.006 2.734 -11.010 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.488 3.019 -9.321 1.00 0.00 H new ATOM 133 N CYS A 9 8.994 1.727 -8.305 1.00 0.00 N ATOM 134 CA CYS A 9 10.095 1.955 -7.376 1.00 0.00 C ATOM 135 C CYS A 9 11.356 1.233 -7.840 1.00 0.00 C ATOM 136 O CYS A 9 12.468 1.732 -7.666 1.00 0.00 O ATOM 137 CB CYS A 9 9.711 1.486 -5.972 1.00 0.00 C ATOM 138 SG CYS A 9 8.420 2.481 -5.189 1.00 0.00 S ATOM 0 H CYS A 9 8.179 1.275 -7.890 1.00 0.00 H new ATOM 0 HA CYS A 9 10.300 3.025 -7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.374 0.451 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.599 1.500 -5.340 1.00 0.00 H new ATOM 0 HG CYS A 9 7.284 2.263 -5.782 1.00 0.00 H new ATOM 144 N GLN A 10 11.175 0.055 -8.428 1.00 0.00 N ATOM 145 CA GLN A 10 12.298 -0.737 -8.915 1.00 0.00 C ATOM 146 C GLN A 10 13.056 0.008 -10.009 1.00 0.00 C ATOM 147 O GLN A 10 14.286 -0.020 -10.055 1.00 0.00 O ATOM 148 CB GLN A 10 11.808 -2.085 -9.445 1.00 0.00 C ATOM 149 CG GLN A 10 12.931 -3.064 -9.750 1.00 0.00 C ATOM 150 CD GLN A 10 13.345 -3.873 -8.537 1.00 0.00 C ATOM 151 OE1 GLN A 10 12.665 -3.866 -7.510 1.00 0.00 O ATOM 152 NE2 GLN A 10 14.465 -4.577 -8.649 1.00 0.00 N ATOM 0 H GLN A 10 10.261 -0.372 -8.579 1.00 0.00 H new ATOM 0 HA GLN A 10 12.977 -0.909 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.137 -2.532 -8.712 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.225 -1.920 -10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.612 -3.741 -10.542 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.794 -2.515 -10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.997 -4.554 -9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.793 -5.141 -7.865 1.00 0.00 H new ATOM 161 N TYR A 11 12.314 0.673 -10.887 1.00 0.00 N ATOM 162 CA TYR A 11 12.916 1.424 -11.983 1.00 0.00 C ATOM 163 C TYR A 11 13.652 2.654 -11.461 1.00 0.00 C ATOM 164 O TYR A 11 14.782 2.932 -11.864 1.00 0.00 O ATOM 165 CB TYR A 11 11.845 1.846 -12.989 1.00 0.00 C ATOM 166 CG TYR A 11 12.336 2.840 -14.016 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.197 2.449 -15.034 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.941 4.171 -13.968 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.650 3.355 -15.974 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.387 5.083 -14.905 1.00 0.00 C ATOM 171 CZ TYR A 11 13.241 4.670 -15.906 1.00 0.00 C ATOM 172 OH TYR A 11 13.689 5.576 -16.840 1.00 0.00 O ATOM 0 H TYR A 11 11.295 0.708 -10.862 1.00 0.00 H new ATOM 0 HA TYR A 11 13.637 0.775 -12.481 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.472 0.960 -13.503 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.003 2.280 -12.450 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.518 1.419 -15.092 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.274 4.499 -13.185 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.321 3.035 -16.758 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.069 6.114 -14.854 1.00 0.00 H new ATOM 0 HH TYR A 11 13.137 6.385 -16.802 1.00 0.00 H new ATOM 182 N ILE A 12 13.004 3.386 -10.562 1.00 0.00 N ATOM 183 CA ILE A 12 13.596 4.586 -9.984 1.00 0.00 C ATOM 184 C ILE A 12 14.851 4.249 -9.186 1.00 0.00 C ATOM 185 O ILE A 12 15.817 5.012 -9.178 1.00 0.00 O ATOM 186 CB ILE A 12 12.600 5.319 -9.066 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.330 5.679 -9.839 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.241 6.568 -8.479 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.165 6.052 -8.949 1.00 0.00 C ATOM 0 H ILE A 12 12.069 3.169 -10.218 1.00 0.00 H new ATOM 0 HA ILE A 12 13.860 5.240 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 12 12.328 4.654 -8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.546 6.511 -10.509 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.043 4.833 -10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.525 7.075 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.119 6.287 -7.898 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.539 7.238 -9.286 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.299 6.295 -9.565 1.00 0.00 H new ATOM 0 HD12 ILE A 12 9.922 5.213 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.433 6.917 -8.343 1.00 0.00 H new ATOM 201 N SER A 13 14.831 3.100 -8.518 1.00 0.00 N ATOM 202 CA SER A 13 15.967 2.662 -7.715 1.00 0.00 C ATOM 203 C SER A 13 17.173 2.361 -8.600 1.00 0.00 C ATOM 204 O SER A 13 18.301 2.735 -8.279 1.00 0.00 O ATOM 205 CB SER A 13 15.595 1.422 -6.900 1.00 0.00 C ATOM 206 OG SER A 13 15.591 0.261 -7.712 1.00 0.00 O ATOM 0 H SER A 13 14.040 2.455 -8.517 1.00 0.00 H new ATOM 0 HA SER A 13 16.232 3.470 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.304 1.295 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.611 1.559 -6.451 1.00 0.00 H new ATOM 0 HG SER A 13 15.066 0.430 -8.522 1.00 0.00 H new ATOM 212 N ASP A 14 16.926 1.682 -9.715 1.00 0.00 N ATOM 213 CA ASP A 14 17.990 1.330 -10.647 1.00 0.00 C ATOM 214 C ASP A 14 18.562 2.576 -11.315 1.00 0.00 C ATOM 215 O ASP A 14 19.739 2.616 -11.674 1.00 0.00 O ATOM 216 CB ASP A 14 17.466 0.362 -11.710 1.00 0.00 C ATOM 217 CG ASP A 14 17.413 -1.069 -11.213 1.00 0.00 C ATOM 218 OD1 ASP A 14 16.912 -1.289 -10.091 1.00 0.00 O ATOM 219 OD2 ASP A 14 17.872 -1.970 -11.947 1.00 0.00 O ATOM 0 H ASP A 14 15.998 1.365 -9.995 1.00 0.00 H new ATOM 0 HA ASP A 14 18.786 0.844 -10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.469 0.673 -12.021 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.105 0.414 -12.592 1.00 0.00 H new ATOM 224 N HIS A 15 17.721 3.593 -11.478 1.00 0.00 N ATOM 225 CA HIS A 15 18.143 4.841 -12.103 1.00 0.00 C ATOM 226 C HIS A 15 18.540 5.870 -11.048 1.00 0.00 C ATOM 227 O HIS A 15 18.608 7.067 -11.329 1.00 0.00 O ATOM 228 CB HIS A 15 17.024 5.400 -12.982 1.00 0.00 C ATOM 229 CG HIS A 15 16.972 4.788 -14.348 1.00 0.00 C ATOM 230 ND1 HIS A 15 16.756 5.523 -15.494 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.111 3.502 -14.747 1.00 0.00 C ATOM 232 CE1 HIS A 15 16.763 4.716 -16.540 1.00 0.00 C ATOM 233 NE2 HIS A 15 16.977 3.484 -16.114 1.00 0.00 N ATOM 0 H HIS A 15 16.744 3.577 -11.186 1.00 0.00 H new ATOM 0 HA HIS A 15 19.013 4.631 -12.726 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.068 5.239 -12.484 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.155 6.478 -13.081 1.00 0.00 H new ATOM 0 HD2 HIS A 15 17.293 2.649 -14.110 1.00 0.00 H new ATOM 0 HE1 HIS A 15 16.618 5.013 -17.568 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.034 2.654 -16.704 1.00 0.00 H new ATOM 241 N LEU A 16 18.799 5.396 -9.835 1.00 0.00 N ATOM 242 CA LEU A 16 19.188 6.274 -8.737 1.00 0.00 C ATOM 243 C LEU A 16 20.503 6.983 -9.047 1.00 0.00 C ATOM 244 O LEU A 16 20.775 8.063 -8.525 1.00 0.00 O ATOM 245 CB LEU A 16 19.320 5.474 -7.440 1.00 0.00 C ATOM 246 CG LEU A 16 19.427 6.294 -6.154 1.00 0.00 C ATOM 247 CD1 LEU A 16 18.044 6.610 -5.606 1.00 0.00 C ATOM 248 CD2 LEU A 16 20.257 5.553 -5.116 1.00 0.00 C ATOM 0 H LEU A 16 18.747 4.408 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 16 18.410 7.028 -8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.458 4.813 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.202 4.839 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 16 19.927 7.234 -6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 16 18.140 7.194 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.482 7.182 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.517 5.681 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 16 20.322 6.152 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.785 4.597 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.259 5.378 -5.508 1.00 0.00 H new ATOM 260 N ALA A 17 21.314 6.367 -9.901 1.00 0.00 N ATOM 261 CA ALA A 17 22.598 6.941 -10.284 1.00 0.00 C ATOM 262 C ALA A 17 22.463 7.804 -11.534 1.00 0.00 C ATOM 263 O ALA A 17 23.303 8.663 -11.800 1.00 0.00 O ATOM 264 CB ALA A 17 23.623 5.839 -10.509 1.00 0.00 C ATOM 0 H ALA A 17 21.105 5.471 -10.341 1.00 0.00 H new ATOM 0 HA ALA A 17 22.940 7.579 -9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.577 6.282 -10.794 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.749 5.266 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.278 5.178 -11.304 1.00 0.00 H new ATOM 270 N ASP A 18 21.402 7.568 -12.298 1.00 0.00 N ATOM 271 CA ASP A 18 21.157 8.324 -13.520 1.00 0.00 C ATOM 272 C ASP A 18 20.947 9.803 -13.212 1.00 0.00 C ATOM 273 O ASP A 18 20.393 10.157 -12.171 1.00 0.00 O ATOM 274 CB ASP A 18 19.938 7.765 -14.256 1.00 0.00 C ATOM 275 CG ASP A 18 20.290 6.596 -15.155 1.00 0.00 C ATOM 276 OD1 ASP A 18 20.863 6.833 -16.238 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.992 5.444 -14.775 1.00 0.00 O ATOM 0 H ASP A 18 20.698 6.859 -12.092 1.00 0.00 H new ATOM 0 HA ASP A 18 22.034 8.226 -14.160 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.192 7.448 -13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.484 8.555 -14.854 1.00 0.00 H new ATOM 282 N SER A 19 21.393 10.662 -14.122 1.00 0.00 N ATOM 283 CA SER A 19 21.258 12.103 -13.945 1.00 0.00 C ATOM 284 C SER A 19 19.902 12.588 -14.451 1.00 0.00 C ATOM 285 O SER A 19 19.180 13.291 -13.746 1.00 0.00 O ATOM 286 CB SER A 19 22.381 12.836 -14.680 1.00 0.00 C ATOM 287 OG SER A 19 22.471 14.186 -14.259 1.00 0.00 O ATOM 0 H SER A 19 21.851 10.385 -14.990 1.00 0.00 H new ATOM 0 HA SER A 19 21.328 12.321 -12.879 1.00 0.00 H new ATOM 0 HB2 SER A 19 23.329 12.331 -14.497 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.202 12.798 -15.754 1.00 0.00 H new ATOM 0 HG SER A 19 23.198 14.632 -14.743 1.00 0.00 H new ATOM 293 N ASN A 20 19.564 12.205 -15.678 1.00 0.00 N ATOM 294 CA ASN A 20 18.296 12.601 -16.279 1.00 0.00 C ATOM 295 C ASN A 20 17.161 11.702 -15.797 1.00 0.00 C ATOM 296 O ASN A 20 17.075 10.535 -16.177 1.00 0.00 O ATOM 297 CB ASN A 20 18.392 12.544 -17.805 1.00 0.00 C ATOM 298 CG ASN A 20 19.365 13.566 -18.362 1.00 0.00 C ATOM 299 OD1 ASN A 20 20.564 13.305 -18.465 1.00 0.00 O ATOM 300 ND2 ASN A 20 18.852 14.736 -18.722 1.00 0.00 N ATOM 0 H ASN A 20 20.150 11.621 -16.275 1.00 0.00 H new ATOM 0 HA ASN A 20 18.081 13.625 -15.972 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.705 11.545 -18.110 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.405 12.714 -18.235 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.458 15.463 -19.102 1.00 0.00 H new ATOM 0 HD22 ASN A 20 17.852 14.908 -18.619 1.00 0.00 H new ATOM 307 N PHE A 21 16.293 12.255 -14.956 1.00 0.00 N ATOM 308 CA PHE A 21 15.163 11.505 -14.421 1.00 0.00 C ATOM 309 C PHE A 21 13.847 12.015 -15.000 1.00 0.00 C ATOM 310 O PHE A 21 13.476 13.172 -14.801 1.00 0.00 O ATOM 311 CB PHE A 21 15.134 11.605 -12.894 1.00 0.00 C ATOM 312 CG PHE A 21 14.088 10.737 -12.256 1.00 0.00 C ATOM 313 CD1 PHE A 21 14.105 9.363 -12.437 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.089 11.293 -11.474 1.00 0.00 C ATOM 315 CE1 PHE A 21 13.143 8.562 -11.852 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.125 10.497 -10.886 1.00 0.00 C ATOM 317 CZ PHE A 21 12.153 9.129 -11.074 1.00 0.00 C ATOM 0 H PHE A 21 16.351 13.220 -14.630 1.00 0.00 H new ATOM 0 HA PHE A 21 15.285 10.461 -14.708 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.113 11.329 -12.501 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.957 12.642 -12.609 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.879 8.913 -13.042 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.063 12.362 -11.322 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.165 7.493 -12.003 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.351 10.944 -10.280 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.402 8.504 -10.613 1.00 0.00 H new ATOM 327 N ASP A 22 13.147 11.144 -15.719 1.00 0.00 N ATOM 328 CA ASP A 22 11.872 11.505 -16.327 1.00 0.00 C ATOM 329 C ASP A 22 10.733 10.682 -15.733 1.00 0.00 C ATOM 330 O ASP A 22 10.701 9.459 -15.872 1.00 0.00 O ATOM 331 CB ASP A 22 11.929 11.301 -17.842 1.00 0.00 C ATOM 332 CG ASP A 22 10.706 11.851 -18.547 1.00 0.00 C ATOM 333 OD1 ASP A 22 9.932 12.589 -17.903 1.00 0.00 O ATOM 334 OD2 ASP A 22 10.521 11.543 -19.744 1.00 0.00 O ATOM 0 H ASP A 22 13.441 10.183 -15.895 1.00 0.00 H new ATOM 0 HA ASP A 22 11.683 12.558 -16.117 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.821 11.786 -18.238 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.022 10.237 -18.059 1.00 0.00 H new ATOM 339 N ILE A 23 9.803 11.360 -15.070 1.00 0.00 N ATOM 340 CA ILE A 23 8.663 10.691 -14.455 1.00 0.00 C ATOM 341 C ILE A 23 7.860 9.910 -15.490 1.00 0.00 C ATOM 342 O ILE A 23 7.168 8.948 -15.157 1.00 0.00 O ATOM 343 CB ILE A 23 7.732 11.696 -13.752 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.693 10.957 -12.906 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.050 12.592 -14.776 1.00 0.00 C ATOM 346 CD1 ILE A 23 5.790 11.879 -12.118 1.00 0.00 C ATOM 0 H ILE A 23 9.816 12.372 -14.945 1.00 0.00 H new ATOM 0 HA ILE A 23 9.065 10.001 -13.713 1.00 0.00 H new ATOM 0 HB ILE A 23 8.331 12.323 -13.091 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.082 10.333 -13.559 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.207 10.288 -12.216 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.395 13.297 -14.264 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.805 13.141 -15.339 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.461 11.981 -15.460 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.079 11.287 -11.542 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.391 12.485 -11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.248 12.531 -12.803 1.00 0.00 H new ATOM 358 N ALA A 24 7.960 10.328 -16.747 1.00 0.00 N ATOM 359 CA ALA A 24 7.246 9.666 -17.832 1.00 0.00 C ATOM 360 C ALA A 24 7.652 8.200 -17.941 1.00 0.00 C ATOM 361 O ALA A 24 6.803 7.320 -18.088 1.00 0.00 O ATOM 362 CB ALA A 24 7.501 10.385 -19.148 1.00 0.00 C ATOM 0 H ALA A 24 8.529 11.122 -17.040 1.00 0.00 H new ATOM 0 HA ALA A 24 6.180 9.706 -17.610 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.962 9.880 -19.949 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.156 11.416 -19.072 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.569 10.375 -19.367 1.00 0.00 H new ATOM 368 N SER A 25 8.954 7.944 -17.869 1.00 0.00 N ATOM 369 CA SER A 25 9.473 6.584 -17.964 1.00 0.00 C ATOM 370 C SER A 25 8.985 5.734 -16.795 1.00 0.00 C ATOM 371 O SER A 25 8.826 4.519 -16.920 1.00 0.00 O ATOM 372 CB SER A 25 11.002 6.600 -17.994 1.00 0.00 C ATOM 373 OG SER A 25 11.530 7.183 -16.816 1.00 0.00 O ATOM 0 H SER A 25 9.669 8.660 -17.745 1.00 0.00 H new ATOM 0 HA SER A 25 9.103 6.144 -18.890 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.377 5.582 -18.099 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.346 7.158 -18.865 1.00 0.00 H new ATOM 0 HG SER A 25 11.290 8.133 -16.785 1.00 0.00 H new ATOM 379 N VAL A 26 8.748 6.381 -15.659 1.00 0.00 N ATOM 380 CA VAL A 26 8.277 5.686 -14.467 1.00 0.00 C ATOM 381 C VAL A 26 6.880 5.114 -14.680 1.00 0.00 C ATOM 382 O VAL A 26 6.627 3.943 -14.397 1.00 0.00 O ATOM 383 CB VAL A 26 8.255 6.621 -13.243 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.725 5.888 -12.020 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.644 7.183 -12.978 1.00 0.00 C ATOM 0 H VAL A 26 8.874 7.386 -15.539 1.00 0.00 H new ATOM 0 HA VAL A 26 8.976 4.871 -14.280 1.00 0.00 H new ATOM 0 HB VAL A 26 7.585 7.454 -13.456 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.717 6.565 -11.165 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.711 5.539 -12.216 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.367 5.035 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.611 7.841 -12.110 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.337 6.364 -12.786 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.981 7.747 -13.848 1.00 0.00 H new ATOM 395 N ALA A 27 5.975 5.948 -15.182 1.00 0.00 N ATOM 396 CA ALA A 27 4.603 5.525 -15.436 1.00 0.00 C ATOM 397 C ALA A 27 4.545 4.500 -16.563 1.00 0.00 C ATOM 398 O ALA A 27 3.723 3.584 -16.539 1.00 0.00 O ATOM 399 CB ALA A 27 3.733 6.728 -15.769 1.00 0.00 C ATOM 0 H ALA A 27 6.167 6.921 -15.421 1.00 0.00 H new ATOM 0 HA ALA A 27 4.221 5.053 -14.531 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.711 6.397 -15.956 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.741 7.426 -14.932 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.123 7.224 -16.658 1.00 0.00 H new ATOM 405 N GLN A 28 5.422 4.660 -17.549 1.00 0.00 N ATOM 406 CA GLN A 28 5.468 3.748 -18.685 1.00 0.00 C ATOM 407 C GLN A 28 5.872 2.346 -18.242 1.00 0.00 C ATOM 408 O GLN A 28 5.367 1.350 -18.761 1.00 0.00 O ATOM 409 CB GLN A 28 6.448 4.264 -19.741 1.00 0.00 C ATOM 410 CG GLN A 28 6.592 3.342 -20.941 1.00 0.00 C ATOM 411 CD GLN A 28 5.293 3.171 -21.704 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.452 4.070 -21.730 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.123 2.014 -22.332 1.00 0.00 N ATOM 0 H GLN A 28 6.110 5.412 -17.584 1.00 0.00 H new ATOM 0 HA GLN A 28 4.469 3.698 -19.119 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.116 5.244 -20.084 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.426 4.402 -19.280 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.353 3.741 -21.612 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.943 2.366 -20.605 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.846 1.296 -22.284 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.269 1.843 -22.863 1.00 0.00 H new ATOM 422 N HIS A 29 6.786 2.275 -17.279 1.00 0.00 N ATOM 423 CA HIS A 29 7.257 0.994 -16.766 1.00 0.00 C ATOM 424 C HIS A 29 6.108 0.197 -16.155 1.00 0.00 C ATOM 425 O HIS A 29 6.075 -1.031 -16.244 1.00 0.00 O ATOM 426 CB HIS A 29 8.353 1.211 -15.722 1.00 0.00 C ATOM 427 CG HIS A 29 8.697 -0.025 -14.948 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.772 -1.276 -15.523 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.989 -0.196 -13.638 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.093 -2.164 -14.599 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.231 -1.534 -13.446 1.00 0.00 N ATOM 0 H HIS A 29 7.215 3.089 -16.839 1.00 0.00 H new ATOM 0 HA HIS A 29 7.667 0.425 -17.601 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.250 1.579 -16.220 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.033 1.987 -15.027 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.025 0.576 -12.884 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.221 -3.224 -14.759 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.477 -1.970 -12.558 1.00 0.00 H new ATOM 439 N VAL A 30 5.168 0.903 -15.535 1.00 0.00 N ATOM 440 CA VAL A 30 4.017 0.262 -14.911 1.00 0.00 C ATOM 441 C VAL A 30 2.830 0.212 -15.866 1.00 0.00 C ATOM 442 O VAL A 30 1.703 -0.069 -15.457 1.00 0.00 O ATOM 443 CB VAL A 30 3.596 0.996 -13.624 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.701 0.922 -12.581 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.236 2.442 -13.929 1.00 0.00 C ATOM 0 H VAL A 30 5.181 1.919 -15.451 1.00 0.00 H new ATOM 0 HA VAL A 30 4.319 -0.755 -14.659 1.00 0.00 H new ATOM 0 HB VAL A 30 2.712 0.503 -13.218 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.385 1.446 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.906 -0.121 -12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.604 1.388 -12.974 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.941 2.945 -13.008 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.100 2.949 -14.359 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.409 2.469 -14.638 1.00 0.00 H new ATOM 455 N CYS A 31 3.091 0.487 -17.139 1.00 0.00 N ATOM 456 CA CYS A 31 2.043 0.474 -18.154 1.00 0.00 C ATOM 457 C CYS A 31 0.856 1.327 -17.721 1.00 0.00 C ATOM 458 O CYS A 31 -0.299 0.971 -17.961 1.00 0.00 O ATOM 459 CB CYS A 31 1.585 -0.960 -18.425 1.00 0.00 C ATOM 460 SG CYS A 31 2.918 -2.084 -18.900 1.00 0.00 S ATOM 0 H CYS A 31 4.018 0.722 -17.493 1.00 0.00 H new ATOM 0 HA CYS A 31 2.454 0.896 -19.071 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.097 -1.349 -17.531 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.836 -0.947 -19.217 1.00 0.00 H new ATOM 0 HG CYS A 31 2.431 -3.272 -19.105 1.00 0.00 H new ATOM 466 N LEU A 32 1.147 2.454 -17.081 1.00 0.00 N ATOM 467 CA LEU A 32 0.103 3.359 -16.612 1.00 0.00 C ATOM 468 C LEU A 32 0.513 4.814 -16.812 1.00 0.00 C ATOM 469 O LEU A 32 1.686 5.114 -17.033 1.00 0.00 O ATOM 470 CB LEU A 32 -0.197 3.100 -15.134 1.00 0.00 C ATOM 471 CG LEU A 32 -1.401 2.204 -14.841 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.555 1.991 -13.343 1.00 0.00 C ATOM 473 CD2 LEU A 32 -2.670 2.806 -15.429 1.00 0.00 C ATOM 0 H LEU A 32 2.097 2.763 -16.875 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.797 3.171 -17.198 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.685 2.650 -14.678 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.355 4.060 -14.642 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.231 1.235 -15.310 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.417 1.351 -13.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.657 1.516 -12.949 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.702 2.953 -12.852 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.517 2.155 -15.211 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.845 3.788 -14.989 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.559 2.907 -16.509 1.00 0.00 H new ATOM 485 N SER A 33 -0.461 5.715 -16.732 1.00 0.00 N ATOM 486 CA SER A 33 -0.202 7.139 -16.905 1.00 0.00 C ATOM 487 C SER A 33 0.549 7.705 -15.704 1.00 0.00 C ATOM 488 O SER A 33 0.518 7.153 -14.604 1.00 0.00 O ATOM 489 CB SER A 33 -1.516 7.898 -17.104 1.00 0.00 C ATOM 490 OG SER A 33 -1.933 7.849 -18.457 1.00 0.00 O ATOM 0 H SER A 33 -1.437 5.484 -16.548 1.00 0.00 H new ATOM 0 HA SER A 33 0.419 7.265 -17.792 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.288 7.468 -16.466 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.390 8.936 -16.796 1.00 0.00 H new ATOM 0 HG SER A 33 -2.775 8.340 -18.558 1.00 0.00 H new ATOM 496 N PRO A 34 1.240 8.835 -15.918 1.00 0.00 N ATOM 497 CA PRO A 34 2.012 9.502 -14.865 1.00 0.00 C ATOM 498 C PRO A 34 1.119 10.134 -13.803 1.00 0.00 C ATOM 499 O PRO A 34 1.424 10.085 -12.612 1.00 0.00 O ATOM 500 CB PRO A 34 2.787 10.582 -15.624 1.00 0.00 C ATOM 501 CG PRO A 34 1.966 10.855 -16.837 1.00 0.00 C ATOM 502 CD PRO A 34 1.321 9.548 -17.204 1.00 0.00 C ATOM 0 HA PRO A 34 2.648 8.804 -14.322 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.910 11.480 -15.019 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.786 10.238 -15.891 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.214 11.618 -16.636 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.587 11.226 -17.653 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.335 9.696 -17.644 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.916 8.997 -17.932 1.00 0.00 H new ATOM 510 N SER A 35 0.013 10.726 -14.243 1.00 0.00 N ATOM 511 CA SER A 35 -0.924 11.371 -13.330 1.00 0.00 C ATOM 512 C SER A 35 -1.615 10.340 -12.443 1.00 0.00 C ATOM 513 O SER A 35 -1.713 10.516 -11.229 1.00 0.00 O ATOM 514 CB SER A 35 -1.968 12.167 -14.115 1.00 0.00 C ATOM 515 OG SER A 35 -1.355 13.163 -14.915 1.00 0.00 O ATOM 0 H SER A 35 -0.256 10.772 -15.226 1.00 0.00 H new ATOM 0 HA SER A 35 -0.361 12.053 -12.693 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.544 11.492 -14.748 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.670 12.633 -13.423 1.00 0.00 H new ATOM 0 HG SER A 35 -2.044 13.656 -15.408 1.00 0.00 H new ATOM 521 N ARG A 36 -2.092 9.264 -13.059 1.00 0.00 N ATOM 522 CA ARG A 36 -2.776 8.204 -12.327 1.00 0.00 C ATOM 523 C ARG A 36 -1.818 7.498 -11.372 1.00 0.00 C ATOM 524 O ARG A 36 -2.167 7.209 -10.227 1.00 0.00 O ATOM 525 CB ARG A 36 -3.381 7.191 -13.301 1.00 0.00 C ATOM 526 CG ARG A 36 -4.302 6.182 -12.635 1.00 0.00 C ATOM 527 CD ARG A 36 -5.669 6.783 -12.344 1.00 0.00 C ATOM 528 NE ARG A 36 -6.408 6.006 -11.352 1.00 0.00 N ATOM 529 CZ ARG A 36 -6.916 4.803 -11.591 1.00 0.00 C ATOM 530 NH1 ARG A 36 -6.766 4.240 -12.782 1.00 0.00 N ATOM 531 NH2 ARG A 36 -7.576 4.159 -10.637 1.00 0.00 N ATOM 0 H ARG A 36 -2.018 9.103 -14.063 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.576 8.658 -11.742 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.938 7.727 -14.070 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.575 6.658 -13.805 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.416 5.311 -13.280 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.851 5.834 -11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.547 7.805 -11.986 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.246 6.835 -13.267 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.541 6.410 -10.425 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.259 4.731 -13.518 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.158 3.316 -12.962 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.693 4.588 -9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.966 3.235 -10.821 1.00 0.00 H new ATOM 545 N LEU A 37 -0.610 7.223 -11.851 1.00 0.00 N ATOM 546 CA LEU A 37 0.399 6.550 -11.040 1.00 0.00 C ATOM 547 C LEU A 37 0.884 7.456 -9.912 1.00 0.00 C ATOM 548 O LEU A 37 1.016 7.023 -8.768 1.00 0.00 O ATOM 549 CB LEU A 37 1.582 6.125 -11.911 1.00 0.00 C ATOM 550 CG LEU A 37 2.779 5.526 -11.173 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.517 4.069 -10.823 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.043 5.655 -12.011 1.00 0.00 C ATOM 0 H LEU A 37 -0.305 7.455 -12.796 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.057 5.663 -10.599 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.227 5.395 -12.639 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.925 6.994 -12.472 1.00 0.00 H new ATOM 0 HG LEU A 37 2.923 6.081 -10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.380 3.660 -10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.637 4.001 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.345 3.500 -11.737 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.884 5.223 -11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.909 5.126 -12.955 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.242 6.708 -12.210 1.00 0.00 H new ATOM 564 N SER A 38 1.146 8.716 -10.243 1.00 0.00 N ATOM 565 CA SER A 38 1.618 9.683 -9.259 1.00 0.00 C ATOM 566 C SER A 38 0.601 9.853 -8.134 1.00 0.00 C ATOM 567 O SER A 38 0.967 9.978 -6.965 1.00 0.00 O ATOM 568 CB SER A 38 1.886 11.033 -9.927 1.00 0.00 C ATOM 569 OG SER A 38 2.193 12.027 -8.964 1.00 0.00 O ATOM 0 H SER A 38 1.039 9.091 -11.185 1.00 0.00 H new ATOM 0 HA SER A 38 2.547 9.306 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.713 10.936 -10.631 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.012 11.337 -10.502 1.00 0.00 H new ATOM 0 HG SER A 38 2.362 12.880 -9.416 1.00 0.00 H new ATOM 575 N HIS A 39 -0.678 9.855 -8.495 1.00 0.00 N ATOM 576 CA HIS A 39 -1.749 10.009 -7.517 1.00 0.00 C ATOM 577 C HIS A 39 -1.699 8.893 -6.478 1.00 0.00 C ATOM 578 O HIS A 39 -1.747 9.149 -5.274 1.00 0.00 O ATOM 579 CB HIS A 39 -3.109 10.012 -8.215 1.00 0.00 C ATOM 580 CG HIS A 39 -4.251 10.327 -7.299 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.885 11.551 -7.280 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.875 9.567 -6.368 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.848 11.532 -6.375 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.863 10.339 -5.808 1.00 0.00 N ATOM 0 H HIS A 39 -0.998 9.752 -9.458 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.609 10.962 -7.008 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.091 10.742 -9.024 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.277 9.036 -8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.639 8.544 -6.113 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.510 12.352 -6.139 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.504 10.040 -5.073 1.00 0.00 H new ATOM 592 N LEU A 40 -1.604 7.655 -6.950 1.00 0.00 N ATOM 593 CA LEU A 40 -1.549 6.499 -6.062 1.00 0.00 C ATOM 594 C LEU A 40 -0.201 6.423 -5.351 1.00 0.00 C ATOM 595 O LEU A 40 -0.114 5.962 -4.213 1.00 0.00 O ATOM 596 CB LEU A 40 -1.795 5.212 -6.851 1.00 0.00 C ATOM 597 CG LEU A 40 -3.104 5.149 -7.640 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.170 3.872 -8.462 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.298 5.243 -6.700 1.00 0.00 C ATOM 0 H LEU A 40 -1.563 7.426 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.330 6.612 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.968 5.072 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.772 4.373 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.136 5.998 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.108 3.844 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.334 3.846 -9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.115 3.009 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.221 5.197 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.271 4.414 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.258 6.186 -6.155 1.00 0.00 H new ATOM 611 N PHE A 41 0.846 6.879 -6.029 1.00 0.00 N ATOM 612 CA PHE A 41 2.190 6.864 -5.462 1.00 0.00 C ATOM 613 C PHE A 41 2.236 7.644 -4.151 1.00 0.00 C ATOM 614 O PHE A 41 2.740 7.152 -3.141 1.00 0.00 O ATOM 615 CB PHE A 41 3.193 7.454 -6.455 1.00 0.00 C ATOM 616 CG PHE A 41 4.478 6.682 -6.540 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.538 6.983 -5.700 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.627 5.657 -7.459 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.723 6.274 -5.775 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.808 4.944 -7.538 1.00 0.00 C ATOM 621 CZ PHE A 41 6.858 5.254 -6.696 1.00 0.00 C ATOM 0 H PHE A 41 0.790 7.264 -6.972 1.00 0.00 H new ATOM 0 HA PHE A 41 2.459 5.828 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.735 7.491 -7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.414 8.482 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.438 7.780 -4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.810 5.412 -8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.542 6.518 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.910 4.145 -8.258 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.783 4.700 -6.758 1.00 0.00 H new ATOM 631 N ARG A 42 1.706 8.863 -4.176 1.00 0.00 N ATOM 632 CA ARG A 42 1.688 9.712 -2.991 1.00 0.00 C ATOM 633 C ARG A 42 0.752 9.143 -1.929 1.00 0.00 C ATOM 634 O ARG A 42 0.923 9.399 -0.737 1.00 0.00 O ATOM 635 CB ARG A 42 1.254 11.131 -3.362 1.00 0.00 C ATOM 636 CG ARG A 42 1.697 12.185 -2.360 1.00 0.00 C ATOM 637 CD ARG A 42 0.547 12.625 -1.469 1.00 0.00 C ATOM 638 NE ARG A 42 -0.187 13.752 -2.039 1.00 0.00 N ATOM 639 CZ ARG A 42 -1.181 14.373 -1.414 1.00 0.00 C ATOM 640 NH1 ARG A 42 -1.558 13.979 -0.205 1.00 0.00 N ATOM 641 NH2 ARG A 42 -1.800 15.391 -1.998 1.00 0.00 N ATOM 0 H ARG A 42 1.284 9.284 -5.003 1.00 0.00 H new ATOM 0 HA ARG A 42 2.697 9.743 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.659 11.381 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.168 11.159 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.504 11.787 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.098 13.048 -2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.135 11.788 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.934 12.903 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 42 0.078 14.080 -2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.084 13.197 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.322 14.458 0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.513 15.697 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.563 15.867 -1.517 1.00 0.00 H new ATOM 655 N GLN A 43 -0.237 8.372 -2.370 1.00 0.00 N ATOM 656 CA GLN A 43 -1.200 7.769 -1.457 1.00 0.00 C ATOM 657 C GLN A 43 -0.602 6.550 -0.762 1.00 0.00 C ATOM 658 O GLN A 43 -0.817 6.338 0.431 1.00 0.00 O ATOM 659 CB GLN A 43 -2.469 7.368 -2.212 1.00 0.00 C ATOM 660 CG GLN A 43 -3.426 8.525 -2.451 1.00 0.00 C ATOM 661 CD GLN A 43 -4.826 8.061 -2.800 1.00 0.00 C ATOM 662 OE1 GLN A 43 -5.006 7.131 -3.586 1.00 0.00 O ATOM 663 NE2 GLN A 43 -5.827 8.709 -2.217 1.00 0.00 N ATOM 0 H GLN A 43 -0.392 8.151 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.455 8.509 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.189 6.935 -3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.986 6.590 -1.650 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.466 9.149 -1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.042 9.148 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.632 9.474 -1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -6.791 8.442 -2.414 1.00 0.00 H new ATOM 672 N GLN A 44 0.149 5.754 -1.516 1.00 0.00 N ATOM 673 CA GLN A 44 0.777 4.556 -0.972 1.00 0.00 C ATOM 674 C GLN A 44 2.068 4.904 -0.238 1.00 0.00 C ATOM 675 O GLN A 44 2.370 4.335 0.812 1.00 0.00 O ATOM 676 CB GLN A 44 1.066 3.553 -2.090 1.00 0.00 C ATOM 677 CG GLN A 44 -0.187 2.949 -2.704 1.00 0.00 C ATOM 678 CD GLN A 44 -0.998 2.147 -1.705 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.484 1.719 -0.671 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.274 1.939 -2.009 1.00 0.00 N ATOM 0 H GLN A 44 0.337 5.917 -2.505 1.00 0.00 H new ATOM 0 HA GLN A 44 0.086 4.105 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.641 4.049 -2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.690 2.751 -1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.807 3.747 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.095 2.305 -3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.659 2.312 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.869 1.406 -1.375 1.00 0.00 H new ATOM 689 N LEU A 45 2.827 5.840 -0.797 1.00 0.00 N ATOM 690 CA LEU A 45 4.087 6.263 -0.197 1.00 0.00 C ATOM 691 C LEU A 45 3.862 7.399 0.796 1.00 0.00 C ATOM 692 O LEU A 45 4.719 7.688 1.630 1.00 0.00 O ATOM 693 CB LEU A 45 5.068 6.707 -1.282 1.00 0.00 C ATOM 694 CG LEU A 45 6.459 6.074 -1.229 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.113 6.104 -2.602 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.331 6.787 -0.205 1.00 0.00 C ATOM 0 H LEU A 45 2.591 6.321 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 45 4.509 5.413 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.627 6.487 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.181 7.789 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 45 6.352 5.033 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.102 5.649 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.499 5.548 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.208 7.137 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.317 6.323 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.431 7.837 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.871 6.712 0.780 1.00 0.00 H new ATOM 708 N GLY A 46 2.700 8.040 0.701 1.00 0.00 N ATOM 709 CA GLY A 46 2.382 9.136 1.598 1.00 0.00 C ATOM 710 C GLY A 46 3.254 10.353 1.358 1.00 0.00 C ATOM 711 O GLY A 46 3.226 11.307 2.136 1.00 0.00 O ATOM 0 H GLY A 46 1.974 7.820 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.335 9.412 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.502 8.804 2.629 1.00 0.00 H new ATOM 715 N ILE A 47 4.030 10.320 0.280 1.00 0.00 N ATOM 716 CA ILE A 47 4.913 11.429 -0.059 1.00 0.00 C ATOM 717 C ILE A 47 5.093 11.546 -1.568 1.00 0.00 C ATOM 718 O ILE A 47 4.643 10.687 -2.326 1.00 0.00 O ATOM 719 CB ILE A 47 6.296 11.269 0.601 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.050 10.093 -0.023 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.147 11.073 2.102 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.412 9.854 0.591 1.00 0.00 C ATOM 0 H ILE A 47 4.065 9.538 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 47 4.441 12.336 0.320 1.00 0.00 H new ATOM 0 HB ILE A 47 6.872 12.178 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.449 9.190 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.169 10.274 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.133 10.961 2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.646 11.939 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.556 10.178 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.889 9.006 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.030 10.742 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.300 9.641 1.654 1.00 0.00 H new ATOM 734 N SER A 48 5.757 12.615 -1.998 1.00 0.00 N ATOM 735 CA SER A 48 5.995 12.846 -3.418 1.00 0.00 C ATOM 736 C SER A 48 7.127 11.960 -3.930 1.00 0.00 C ATOM 737 O SER A 48 8.064 11.644 -3.197 1.00 0.00 O ATOM 738 CB SER A 48 6.333 14.318 -3.667 1.00 0.00 C ATOM 739 OG SER A 48 7.240 14.805 -2.693 1.00 0.00 O ATOM 0 H SER A 48 6.139 13.334 -1.384 1.00 0.00 H new ATOM 0 HA SER A 48 5.084 12.592 -3.960 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.766 14.432 -4.661 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.420 14.912 -3.647 1.00 0.00 H new ATOM 0 HG SER A 48 7.441 15.747 -2.875 1.00 0.00 H new ATOM 745 N VAL A 49 7.031 11.562 -5.195 1.00 0.00 N ATOM 746 CA VAL A 49 8.046 10.712 -5.808 1.00 0.00 C ATOM 747 C VAL A 49 9.436 11.321 -5.658 1.00 0.00 C ATOM 748 O VAL A 49 10.399 10.625 -5.335 1.00 0.00 O ATOM 749 CB VAL A 49 7.757 10.482 -7.303 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.765 9.511 -7.898 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.336 9.976 -7.499 1.00 0.00 C ATOM 0 H VAL A 49 6.261 11.814 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 49 8.014 9.755 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 49 7.854 11.434 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.545 9.361 -8.955 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.770 9.919 -7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.703 8.557 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.149 9.819 -8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.208 9.034 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.631 10.712 -7.111 1.00 0.00 H new ATOM 761 N LEU A 50 9.533 12.625 -5.893 1.00 0.00 N ATOM 762 CA LEU A 50 10.806 13.330 -5.784 1.00 0.00 C ATOM 763 C LEU A 50 11.351 13.250 -4.361 1.00 0.00 C ATOM 764 O LEU A 50 12.563 13.192 -4.153 1.00 0.00 O ATOM 765 CB LEU A 50 10.638 14.793 -6.197 1.00 0.00 C ATOM 766 CG LEU A 50 11.088 15.145 -7.616 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.371 14.272 -8.634 1.00 0.00 C ATOM 768 CD2 LEU A 50 10.838 16.618 -7.903 1.00 0.00 C ATOM 0 H LEU A 50 8.746 13.216 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 50 11.519 12.850 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.586 15.061 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.195 15.414 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 50 12.159 14.956 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.703 14.536 -9.638 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.600 13.224 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.295 14.429 -8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.164 16.852 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.774 16.832 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.397 17.227 -7.193 1.00 0.00 H new ATOM 780 N SER A 51 10.448 13.247 -3.386 1.00 0.00 N ATOM 781 CA SER A 51 10.839 13.176 -1.983 1.00 0.00 C ATOM 782 C SER A 51 11.335 11.778 -1.627 1.00 0.00 C ATOM 783 O SER A 51 12.356 11.621 -0.957 1.00 0.00 O ATOM 784 CB SER A 51 9.661 13.556 -1.084 1.00 0.00 C ATOM 785 OG SER A 51 9.971 13.338 0.282 1.00 0.00 O ATOM 0 H SER A 51 9.441 13.293 -3.542 1.00 0.00 H new ATOM 0 HA SER A 51 11.653 13.883 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.404 14.604 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.785 12.969 -1.360 1.00 0.00 H new ATOM 0 HG SER A 51 9.203 13.590 0.836 1.00 0.00 H new ATOM 791 N TRP A 52 10.604 10.765 -2.079 1.00 0.00 N ATOM 792 CA TRP A 52 10.969 9.379 -1.809 1.00 0.00 C ATOM 793 C TRP A 52 12.359 9.066 -2.352 1.00 0.00 C ATOM 794 O TRP A 52 13.149 8.381 -1.702 1.00 0.00 O ATOM 795 CB TRP A 52 9.941 8.430 -2.427 1.00 0.00 C ATOM 796 CG TRP A 52 10.318 6.984 -2.304 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.375 6.247 -1.156 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.692 6.103 -3.368 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.762 4.960 -1.442 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.961 4.846 -2.793 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.823 6.252 -4.751 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.355 3.748 -3.554 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.214 5.162 -5.505 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.475 3.923 -4.905 1.00 0.00 C ATOM 0 H TRP A 52 9.756 10.877 -2.634 1.00 0.00 H new ATOM 0 HA TRP A 52 10.981 9.237 -0.728 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.976 8.589 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.817 8.677 -3.481 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.149 6.621 -0.168 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.882 4.211 -0.760 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.622 7.203 -5.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.558 2.792 -3.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.320 5.267 -6.575 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.777 3.089 -5.522 1.00 0.00 H new ATOM 815 N ARG A 53 12.651 9.571 -3.546 1.00 0.00 N ATOM 816 CA ARG A 53 13.946 9.344 -4.176 1.00 0.00 C ATOM 817 C ARG A 53 15.073 9.917 -3.323 1.00 0.00 C ATOM 818 O ARG A 53 16.082 9.254 -3.085 1.00 0.00 O ATOM 819 CB ARG A 53 13.976 9.973 -5.570 1.00 0.00 C ATOM 820 CG ARG A 53 15.232 9.644 -6.360 1.00 0.00 C ATOM 821 CD ARG A 53 15.319 10.465 -7.637 1.00 0.00 C ATOM 822 NE ARG A 53 15.890 11.788 -7.400 1.00 0.00 N ATOM 823 CZ ARG A 53 16.208 12.636 -8.372 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.010 12.301 -9.639 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.724 13.822 -8.076 1.00 0.00 N ATOM 0 H ARG A 53 12.008 10.140 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 53 14.094 8.268 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.105 9.634 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.891 11.055 -5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.111 9.834 -5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.240 8.583 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.927 9.934 -8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.323 10.572 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 53 16.054 12.077 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.613 11.390 -9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.255 12.954 -10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.877 14.083 -7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.968 14.473 -8.823 1.00 0.00 H new ATOM 839 N GLU A 54 14.894 11.153 -2.867 1.00 0.00 N ATOM 840 CA GLU A 54 15.897 11.815 -2.042 1.00 0.00 C ATOM 841 C GLU A 54 16.043 11.113 -0.695 1.00 0.00 C ATOM 842 O GLU A 54 17.155 10.847 -0.239 1.00 0.00 O ATOM 843 CB GLU A 54 15.525 13.283 -1.827 1.00 0.00 C ATOM 844 CG GLU A 54 16.187 14.230 -2.813 1.00 0.00 C ATOM 845 CD GLU A 54 15.366 15.480 -3.064 1.00 0.00 C ATOM 846 OE1 GLU A 54 14.713 15.961 -2.114 1.00 0.00 O ATOM 847 OE2 GLU A 54 15.375 15.976 -4.209 1.00 0.00 O ATOM 0 H GLU A 54 14.064 11.715 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 54 16.852 11.763 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.443 13.390 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.802 13.575 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.169 14.515 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.348 13.710 -3.757 1.00 0.00 H new ATOM 854 N ASP A 55 14.913 10.817 -0.063 1.00 0.00 N ATOM 855 CA ASP A 55 14.913 10.146 1.232 1.00 0.00 C ATOM 856 C ASP A 55 15.550 8.764 1.127 1.00 0.00 C ATOM 857 O ASP A 55 16.256 8.326 2.035 1.00 0.00 O ATOM 858 CB ASP A 55 13.486 10.024 1.768 1.00 0.00 C ATOM 859 CG ASP A 55 13.280 10.808 3.049 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.191 12.051 2.976 1.00 0.00 O ATOM 861 OD2 ASP A 55 13.207 10.178 4.125 1.00 0.00 O ATOM 0 H ASP A 55 13.984 11.031 -0.427 1.00 0.00 H new ATOM 0 HA ASP A 55 15.502 10.747 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.785 10.378 1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.257 8.974 1.947 1.00 0.00 H new ATOM 866 N GLN A 56 15.295 8.083 0.015 1.00 0.00 N ATOM 867 CA GLN A 56 15.843 6.750 -0.207 1.00 0.00 C ATOM 868 C GLN A 56 17.361 6.800 -0.341 1.00 0.00 C ATOM 869 O GLN A 56 18.067 5.924 0.158 1.00 0.00 O ATOM 870 CB GLN A 56 15.229 6.126 -1.461 1.00 0.00 C ATOM 871 CG GLN A 56 13.963 5.330 -1.188 1.00 0.00 C ATOM 872 CD GLN A 56 14.225 4.079 -0.373 1.00 0.00 C ATOM 873 OE1 GLN A 56 13.715 3.929 0.738 1.00 0.00 O ATOM 874 NE2 GLN A 56 15.024 3.171 -0.921 1.00 0.00 N ATOM 0 H GLN A 56 14.713 8.432 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 56 15.593 6.134 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.004 6.917 -2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.965 5.472 -1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.249 5.961 -0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.502 5.052 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.425 3.336 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.236 2.309 -0.419 1.00 0.00 H new ATOM 883 N ARG A 57 17.857 7.832 -1.016 1.00 0.00 N ATOM 884 CA ARG A 57 19.292 7.995 -1.216 1.00 0.00 C ATOM 885 C ARG A 57 20.020 8.089 0.121 1.00 0.00 C ATOM 886 O ARG A 57 21.078 7.486 0.307 1.00 0.00 O ATOM 887 CB ARG A 57 19.572 9.246 -2.051 1.00 0.00 C ATOM 888 CG ARG A 57 19.125 9.126 -3.499 1.00 0.00 C ATOM 889 CD ARG A 57 18.831 10.488 -4.106 1.00 0.00 C ATOM 890 NE ARG A 57 19.950 10.986 -4.903 1.00 0.00 N ATOM 891 CZ ARG A 57 20.186 10.609 -6.154 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.385 9.736 -6.749 1.00 0.00 N ATOM 893 NH2 ARG A 57 21.224 11.107 -6.813 1.00 0.00 N ATOM 0 H ARG A 57 17.287 8.567 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 57 19.661 7.119 -1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 57 19.068 10.098 -1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.641 9.457 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 57 19.901 8.627 -4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.233 8.501 -3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.941 10.421 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 57 18.608 11.199 -3.310 1.00 0.00 H new ATOM 0 HE ARG A 57 20.585 11.660 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.585 9.352 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.569 9.448 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 57 21.841 11.780 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 57 21.405 10.817 -7.774 1.00 0.00 H new ATOM 907 N ILE A 58 19.448 8.849 1.049 1.00 0.00 N ATOM 908 CA ILE A 58 20.042 9.021 2.368 1.00 0.00 C ATOM 909 C ILE A 58 19.998 7.722 3.165 1.00 0.00 C ATOM 910 O ILE A 58 20.978 7.340 3.804 1.00 0.00 O ATOM 911 CB ILE A 58 19.326 10.125 3.169 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.396 11.456 2.417 1.00 0.00 C ATOM 913 CG2 ILE A 58 19.942 10.259 4.553 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.808 11.924 2.145 1.00 0.00 C ATOM 0 H ILE A 58 18.573 9.355 0.911 1.00 0.00 H new ATOM 0 HA ILE A 58 21.080 9.313 2.210 1.00 0.00 H new ATOM 0 HB ILE A 58 18.278 9.849 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.866 11.357 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.874 12.219 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.425 11.043 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.846 9.314 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.997 10.517 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.780 12.873 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.336 12.056 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.327 11.181 1.540 1.00 0.00 H new ATOM 926 N SER A 59 18.855 7.045 3.120 1.00 0.00 N ATOM 927 CA SER A 59 18.682 5.788 3.839 1.00 0.00 C ATOM 928 C SER A 59 19.571 4.698 3.249 1.00 0.00 C ATOM 929 O SER A 59 20.022 3.799 3.958 1.00 0.00 O ATOM 930 CB SER A 59 17.217 5.348 3.794 1.00 0.00 C ATOM 931 OG SER A 59 17.097 3.953 4.010 1.00 0.00 O ATOM 0 H SER A 59 18.035 7.346 2.593 1.00 0.00 H new ATOM 0 HA SER A 59 18.974 5.948 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.649 5.887 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.785 5.608 2.827 1.00 0.00 H new ATOM 0 HG SER A 59 16.152 3.697 3.978 1.00 0.00 H new ATOM 937 N GLN A 60 19.818 4.785 1.946 1.00 0.00 N ATOM 938 CA GLN A 60 20.652 3.806 1.260 1.00 0.00 C ATOM 939 C GLN A 60 22.116 3.962 1.659 1.00 0.00 C ATOM 940 O GLN A 60 22.806 2.978 1.923 1.00 0.00 O ATOM 941 CB GLN A 60 20.506 3.953 -0.256 1.00 0.00 C ATOM 942 CG GLN A 60 20.849 2.687 -1.026 1.00 0.00 C ATOM 943 CD GLN A 60 19.665 1.750 -1.164 1.00 0.00 C ATOM 944 OE1 GLN A 60 18.747 2.002 -1.946 1.00 0.00 O ATOM 945 NE2 GLN A 60 19.680 0.661 -0.405 1.00 0.00 N ATOM 0 H GLN A 60 19.452 5.523 1.345 1.00 0.00 H new ATOM 0 HA GLN A 60 20.318 2.811 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.481 4.243 -0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.151 4.762 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.212 2.956 -2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.662 2.167 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.461 0.492 0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.911 -0.007 -0.456 1.00 0.00 H new ATOM 954 N ALA A 61 22.583 5.206 1.701 1.00 0.00 N ATOM 955 CA ALA A 61 23.964 5.491 2.070 1.00 0.00 C ATOM 956 C ALA A 61 24.294 4.919 3.444 1.00 0.00 C ATOM 957 O ALA A 61 25.407 4.448 3.681 1.00 0.00 O ATOM 958 CB ALA A 61 24.217 6.991 2.045 1.00 0.00 C ATOM 0 H ALA A 61 22.025 6.032 1.484 1.00 0.00 H new ATOM 0 HA ALA A 61 24.616 5.011 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.252 7.190 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.030 7.375 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.550 7.484 2.752 1.00 0.00 H new ATOM 964 N LYS A 62 23.322 4.963 4.348 1.00 0.00 N ATOM 965 CA LYS A 62 23.508 4.449 5.699 1.00 0.00 C ATOM 966 C LYS A 62 23.810 2.954 5.676 1.00 0.00 C ATOM 967 O LYS A 62 24.654 2.468 6.430 1.00 0.00 O ATOM 968 CB LYS A 62 22.261 4.715 6.545 1.00 0.00 C ATOM 969 CG LYS A 62 22.179 6.136 7.077 1.00 0.00 C ATOM 970 CD LYS A 62 21.013 6.305 8.036 1.00 0.00 C ATOM 971 CE LYS A 62 20.644 7.770 8.212 1.00 0.00 C ATOM 972 NZ LYS A 62 19.914 8.305 7.030 1.00 0.00 N ATOM 0 H LYS A 62 22.396 5.350 4.169 1.00 0.00 H new ATOM 0 HA LYS A 62 24.358 4.967 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.374 4.509 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.247 4.020 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.109 6.390 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.071 6.832 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.150 5.754 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 62 21.271 5.875 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.026 7.884 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.549 8.355 8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.243 9.270 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.094 7.697 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.894 8.322 7.231 1.00 0.00 H new ATOM 986 N LEU A 63 23.116 2.229 4.805 1.00 0.00 N ATOM 987 CA LEU A 63 23.311 0.788 4.682 1.00 0.00 C ATOM 988 C LEU A 63 24.733 0.467 4.232 1.00 0.00 C ATOM 989 O LEU A 63 25.369 -0.448 4.756 1.00 0.00 O ATOM 990 CB LEU A 63 22.305 0.201 3.690 1.00 0.00 C ATOM 991 CG LEU A 63 22.503 -1.271 3.326 1.00 0.00 C ATOM 992 CD1 LEU A 63 22.269 -2.157 4.539 1.00 0.00 C ATOM 993 CD2 LEU A 63 21.576 -1.668 2.186 1.00 0.00 C ATOM 0 H LEU A 63 22.414 2.615 4.174 1.00 0.00 H new ATOM 0 HA LEU A 63 23.150 0.339 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.304 0.321 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.343 0.790 2.773 1.00 0.00 H new ATOM 0 HG LEU A 63 23.532 -1.408 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 63 22.414 -3.201 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 63 22.974 -1.890 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 63 21.251 -2.017 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 63 21.731 -2.719 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 63 20.540 -1.515 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 63 21.792 -1.055 1.311 1.00 0.00 H new ATOM 1005 N LEU A 64 25.226 1.227 3.260 1.00 0.00 N ATOM 1006 CA LEU A 64 26.574 1.025 2.741 1.00 0.00 C ATOM 1007 C LEU A 64 27.621 1.439 3.770 1.00 0.00 C ATOM 1008 O LEU A 64 28.608 0.735 3.985 1.00 0.00 O ATOM 1009 CB LEU A 64 26.769 1.822 1.450 1.00 0.00 C ATOM 1010 CG LEU A 64 25.698 1.629 0.375 1.00 0.00 C ATOM 1011 CD1 LEU A 64 25.280 2.970 -0.209 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.204 0.703 -0.722 1.00 0.00 C ATOM 0 H LEU A 64 24.713 1.988 2.816 1.00 0.00 H new ATOM 0 HA LEU A 64 26.700 -0.037 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.814 2.881 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 64 27.736 1.555 1.024 1.00 0.00 H new ATOM 0 HG LEU A 64 24.825 1.169 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.518 2.813 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.877 3.602 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 64 26.146 3.458 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 64 25.429 0.577 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 64 27.093 1.135 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 64 26.453 -0.267 -0.293 1.00 0.00 H new ATOM 1024 N LEU A 65 27.399 2.585 4.404 1.00 0.00 N ATOM 1025 CA LEU A 65 28.323 3.093 5.413 1.00 0.00 C ATOM 1026 C LEU A 65 28.323 2.200 6.650 1.00 0.00 C ATOM 1027 O LEU A 65 29.305 2.148 7.390 1.00 0.00 O ATOM 1028 CB LEU A 65 27.947 4.523 5.804 1.00 0.00 C ATOM 1029 CG LEU A 65 28.878 5.624 5.296 1.00 0.00 C ATOM 1030 CD1 LEU A 65 28.306 6.997 5.616 1.00 0.00 C ATOM 1031 CD2 LEU A 65 30.266 5.469 5.900 1.00 0.00 C ATOM 0 H LEU A 65 26.588 3.180 4.238 1.00 0.00 H new ATOM 0 HA LEU A 65 29.326 3.091 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.941 4.727 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 65 27.906 4.582 6.892 1.00 0.00 H new ATOM 0 HG LEU A 65 28.962 5.531 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.982 7.768 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.334 7.107 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.192 7.101 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.915 6.261 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.200 5.535 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.679 4.500 5.620 1.00 0.00 H new ATOM 1043 N SER A 66 27.216 1.496 6.866 1.00 0.00 N ATOM 1044 CA SER A 66 27.088 0.606 8.013 1.00 0.00 C ATOM 1045 C SER A 66 27.554 -0.804 7.662 1.00 0.00 C ATOM 1046 O SER A 66 27.986 -1.563 8.530 1.00 0.00 O ATOM 1047 CB SER A 66 25.638 0.570 8.498 1.00 0.00 C ATOM 1048 OG SER A 66 25.451 -0.440 9.475 1.00 0.00 O ATOM 0 H SER A 66 26.395 1.525 6.261 1.00 0.00 H new ATOM 0 HA SER A 66 27.722 0.991 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.367 1.539 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.973 0.390 7.653 1.00 0.00 H new ATOM 0 HG SER A 66 24.516 -0.441 9.770 1.00 0.00 H new ATOM 1054 N THR A 67 27.463 -1.149 6.381 1.00 0.00 N ATOM 1055 CA THR A 67 27.873 -2.466 5.913 1.00 0.00 C ATOM 1056 C THR A 67 29.310 -2.447 5.406 1.00 0.00 C ATOM 1057 O THR A 67 29.918 -3.496 5.190 1.00 0.00 O ATOM 1058 CB THR A 67 26.951 -2.975 4.789 1.00 0.00 C ATOM 1059 OG1 THR A 67 27.069 -4.397 4.665 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.298 -2.315 3.463 1.00 0.00 C ATOM 0 H THR A 67 27.108 -0.533 5.649 1.00 0.00 H new ATOM 0 HA THR A 67 27.801 -3.141 6.766 1.00 0.00 H new ATOM 0 HB THR A 67 25.924 -2.717 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 67 27.998 -4.664 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.633 -2.690 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.179 -1.235 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.331 -2.546 3.201 1.00 0.00 H new ATOM 1068 N THR A 68 29.851 -1.247 5.217 1.00 0.00 N ATOM 1069 CA THR A 68 31.217 -1.091 4.735 1.00 0.00 C ATOM 1070 C THR A 68 31.989 -0.089 5.585 1.00 0.00 C ATOM 1071 O THR A 68 31.423 0.559 6.465 1.00 0.00 O ATOM 1072 CB THR A 68 31.245 -0.630 3.266 1.00 0.00 C ATOM 1073 OG1 THR A 68 31.054 0.788 3.194 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.165 -1.333 2.457 1.00 0.00 C ATOM 0 H THR A 68 29.363 -0.369 5.391 1.00 0.00 H new ATOM 0 HA THR A 68 31.692 -2.069 4.810 1.00 0.00 H new ATOM 0 HB THR A 68 32.217 -0.888 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 68 30.233 1.032 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.205 -0.991 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.329 -2.410 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.187 -1.102 2.878 1.00 0.00 H new ATOM 1082 N ARG A 69 33.285 0.033 5.317 1.00 0.00 N ATOM 1083 CA ARG A 69 34.135 0.956 6.058 1.00 0.00 C ATOM 1084 C ARG A 69 34.755 1.993 5.126 1.00 0.00 C ATOM 1085 O ARG A 69 35.743 2.641 5.471 1.00 0.00 O ATOM 1086 CB ARG A 69 35.239 0.190 6.791 1.00 0.00 C ATOM 1087 CG ARG A 69 36.103 -0.660 5.874 1.00 0.00 C ATOM 1088 CD ARG A 69 35.584 -2.086 5.785 1.00 0.00 C ATOM 1089 NE ARG A 69 35.615 -2.762 7.079 1.00 0.00 N ATOM 1090 CZ ARG A 69 34.940 -3.875 7.343 1.00 0.00 C ATOM 1091 NH1 ARG A 69 34.186 -4.435 6.407 1.00 0.00 N ATOM 1092 NH2 ARG A 69 35.018 -4.430 8.546 1.00 0.00 N ATOM 0 H ARG A 69 33.769 -0.496 4.592 1.00 0.00 H new ATOM 0 HA ARG A 69 33.514 1.474 6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 69 35.874 0.901 7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 69 34.785 -0.452 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.125 -0.217 4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.129 -0.667 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 69 34.562 -2.077 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 69 36.185 -2.646 5.069 1.00 0.00 H new ATOM 0 HE ARG A 69 36.186 -2.357 7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 69 34.123 -4.011 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 69 33.669 -5.290 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 69 35.597 -4.002 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 69 34.499 -5.285 8.748 1.00 0.00 H new ATOM 1106 N MET A 70 34.167 2.144 3.944 1.00 0.00 N ATOM 1107 CA MET A 70 34.660 3.103 2.962 1.00 0.00 C ATOM 1108 C MET A 70 34.509 4.532 3.474 1.00 0.00 C ATOM 1109 O MET A 70 33.646 4.833 4.299 1.00 0.00 O ATOM 1110 CB MET A 70 33.911 2.942 1.638 1.00 0.00 C ATOM 1111 CG MET A 70 34.017 1.545 1.047 1.00 0.00 C ATOM 1112 SD MET A 70 33.134 1.385 -0.517 1.00 0.00 S ATOM 1113 CE MET A 70 31.435 1.441 0.046 1.00 0.00 C ATOM 0 H MET A 70 33.349 1.615 3.643 1.00 0.00 H new ATOM 0 HA MET A 70 35.719 2.904 2.798 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.859 3.184 1.793 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.301 3.663 0.919 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.068 1.298 0.894 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.620 0.822 1.760 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.765 1.335 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.258 0.627 0.749 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.246 2.394 0.539 1.00 0.00 H new ATOM 1123 N PRO A 71 35.367 5.435 2.975 1.00 0.00 N ATOM 1124 CA PRO A 71 35.348 6.847 3.369 1.00 0.00 C ATOM 1125 C PRO A 71 34.118 7.579 2.841 1.00 0.00 C ATOM 1126 O PRO A 71 33.437 7.095 1.937 1.00 0.00 O ATOM 1127 CB PRO A 71 36.620 7.410 2.730 1.00 0.00 C ATOM 1128 CG PRO A 71 36.892 6.512 1.573 1.00 0.00 C ATOM 1129 CD PRO A 71 36.421 5.146 1.989 1.00 0.00 C ATOM 0 HA PRO A 71 35.308 6.968 4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.477 8.441 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.451 7.410 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.364 6.852 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.954 6.501 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.035 4.579 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.229 4.558 2.425 1.00 0.00 H new ATOM 1137 N ILE A 72 33.841 8.746 3.412 1.00 0.00 N ATOM 1138 CA ILE A 72 32.694 9.545 2.997 1.00 0.00 C ATOM 1139 C ILE A 72 32.777 9.900 1.517 1.00 0.00 C ATOM 1140 O ILE A 72 31.757 10.041 0.843 1.00 0.00 O ATOM 1141 CB ILE A 72 32.585 10.843 3.819 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.581 10.525 5.316 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.331 11.611 3.432 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.491 11.754 6.194 1.00 0.00 C ATOM 0 H ILE A 72 34.394 9.159 4.163 1.00 0.00 H new ATOM 0 HA ILE A 72 31.807 8.937 3.173 1.00 0.00 H new ATOM 0 HB ILE A 72 33.451 11.468 3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.740 9.868 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.489 9.976 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.268 12.526 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.372 11.864 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.453 10.994 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.493 11.454 7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.346 12.403 6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.570 12.293 5.973 1.00 0.00 H new ATOM 1156 N ALA A 73 34.000 10.040 1.016 1.00 0.00 N ATOM 1157 CA ALA A 73 34.217 10.375 -0.386 1.00 0.00 C ATOM 1158 C ALA A 73 33.712 9.264 -1.300 1.00 0.00 C ATOM 1159 O ALA A 73 33.012 9.521 -2.280 1.00 0.00 O ATOM 1160 CB ALA A 73 35.693 10.641 -0.643 1.00 0.00 C ATOM 0 H ALA A 73 34.855 9.927 1.560 1.00 0.00 H new ATOM 0 HA ALA A 73 33.651 11.280 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.840 10.890 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 36.026 11.473 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 73 36.271 9.751 -0.397 1.00 0.00 H new ATOM 1166 N THR A 74 34.071 8.026 -0.975 1.00 0.00 N ATOM 1167 CA THR A 74 33.656 6.876 -1.767 1.00 0.00 C ATOM 1168 C THR A 74 32.168 6.594 -1.589 1.00 0.00 C ATOM 1169 O THR A 74 31.468 6.270 -2.549 1.00 0.00 O ATOM 1170 CB THR A 74 34.454 5.614 -1.388 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.852 5.835 -1.608 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.991 4.416 -2.202 1.00 0.00 C ATOM 0 H THR A 74 34.649 7.795 -0.167 1.00 0.00 H new ATOM 0 HA THR A 74 33.855 7.123 -2.810 1.00 0.00 H new ATOM 0 HB THR A 74 34.281 5.404 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.353 5.029 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.569 3.537 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.934 4.233 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.138 4.618 -3.263 1.00 0.00 H new ATOM 1180 N VAL A 75 31.690 6.720 -0.355 1.00 0.00 N ATOM 1181 CA VAL A 75 30.284 6.480 -0.052 1.00 0.00 C ATOM 1182 C VAL A 75 29.380 7.358 -0.909 1.00 0.00 C ATOM 1183 O VAL A 75 28.341 6.911 -1.394 1.00 0.00 O ATOM 1184 CB VAL A 75 29.978 6.744 1.434 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.499 6.532 1.721 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.834 5.852 2.321 1.00 0.00 C ATOM 0 H VAL A 75 32.256 6.987 0.451 1.00 0.00 H new ATOM 0 HA VAL A 75 30.086 5.432 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 75 30.222 7.782 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.302 6.723 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.908 7.216 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.225 5.504 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.605 6.052 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.623 4.806 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.888 6.058 2.135 1.00 0.00 H new ATOM 1196 N GLY A 76 29.782 8.612 -1.093 1.00 0.00 N ATOM 1197 CA GLY A 76 28.997 9.534 -1.893 1.00 0.00 C ATOM 1198 C GLY A 76 28.757 9.022 -3.299 1.00 0.00 C ATOM 1199 O GLY A 76 27.664 9.175 -3.845 1.00 0.00 O ATOM 0 H GLY A 76 30.638 9.006 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.038 9.709 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.509 10.495 -1.942 1.00 0.00 H new ATOM 1203 N ARG A 77 29.781 8.414 -3.889 1.00 0.00 N ATOM 1204 CA ARG A 77 29.677 7.881 -5.242 1.00 0.00 C ATOM 1205 C ARG A 77 28.560 6.846 -5.334 1.00 0.00 C ATOM 1206 O ARG A 77 27.887 6.733 -6.358 1.00 0.00 O ATOM 1207 CB ARG A 77 31.005 7.252 -5.668 1.00 0.00 C ATOM 1208 CG ARG A 77 31.986 8.248 -6.266 1.00 0.00 C ATOM 1209 CD ARG A 77 33.148 7.544 -6.949 1.00 0.00 C ATOM 1210 NE ARG A 77 34.028 8.483 -7.639 1.00 0.00 N ATOM 1211 CZ ARG A 77 34.906 8.121 -8.567 1.00 0.00 C ATOM 1212 NH1 ARG A 77 35.020 6.847 -8.916 1.00 0.00 N ATOM 1213 NH2 ARG A 77 35.672 9.035 -9.150 1.00 0.00 N ATOM 0 H ARG A 77 30.692 8.278 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 77 29.441 8.706 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.466 6.776 -4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.808 6.466 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 77 31.469 8.882 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 77 32.366 8.902 -5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.721 6.988 -6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 77 32.762 6.817 -7.664 1.00 0.00 H new ATOM 0 HE ARG A 77 33.965 9.471 -7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 77 34.432 6.142 -8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 77 35.695 6.572 -9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 77 35.586 10.016 -8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.346 8.756 -9.863 1.00 0.00 H new ATOM 1227 N ASN A 78 28.368 6.092 -4.256 1.00 0.00 N ATOM 1228 CA ASN A 78 27.333 5.065 -4.215 1.00 0.00 C ATOM 1229 C ASN A 78 25.948 5.682 -4.392 1.00 0.00 C ATOM 1230 O ASN A 78 25.046 5.058 -4.951 1.00 0.00 O ATOM 1231 CB ASN A 78 27.397 4.298 -2.893 1.00 0.00 C ATOM 1232 CG ASN A 78 28.672 3.488 -2.756 1.00 0.00 C ATOM 1233 OD1 ASN A 78 28.690 2.288 -3.029 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.746 4.143 -2.331 1.00 0.00 N ATOM 0 H ASN A 78 28.916 6.173 -3.399 1.00 0.00 H new ATOM 0 HA ASN A 78 27.511 4.372 -5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.326 5.002 -2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.537 3.632 -2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 78 30.632 3.651 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.685 5.138 -2.116 1.00 0.00 H new ATOM 1241 N VAL A 79 25.788 6.911 -3.911 1.00 0.00 N ATOM 1242 CA VAL A 79 24.515 7.613 -4.017 1.00 0.00 C ATOM 1243 C VAL A 79 24.524 8.595 -5.183 1.00 0.00 C ATOM 1244 O VAL A 79 23.689 9.496 -5.255 1.00 0.00 O ATOM 1245 CB VAL A 79 24.185 8.375 -2.720 1.00 0.00 C ATOM 1246 CG1 VAL A 79 24.087 7.414 -1.545 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.228 9.450 -2.454 1.00 0.00 C ATOM 0 H VAL A 79 26.524 7.441 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 79 23.750 6.856 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 79 23.217 8.861 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.853 7.971 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.300 6.685 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 79 25.038 6.896 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.979 9.979 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.210 8.987 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.243 10.155 -3.285 1.00 0.00 H new ATOM 1257 N GLY A 80 25.474 8.414 -6.095 1.00 0.00 N ATOM 1258 CA GLY A 80 25.574 9.292 -7.246 1.00 0.00 C ATOM 1259 C GLY A 80 26.124 10.658 -6.887 1.00 0.00 C ATOM 1260 O GLY A 80 26.187 11.551 -7.733 1.00 0.00 O ATOM 0 H GLY A 80 26.176 7.675 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.216 8.831 -7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.589 9.408 -7.698 1.00 0.00 H new ATOM 1264 N PHE A 81 26.521 10.823 -5.630 1.00 0.00 N ATOM 1265 CA PHE A 81 27.066 12.092 -5.161 1.00 0.00 C ATOM 1266 C PHE A 81 28.548 12.207 -5.503 1.00 0.00 C ATOM 1267 O PHE A 81 29.369 11.422 -5.027 1.00 0.00 O ATOM 1268 CB PHE A 81 26.867 12.228 -3.650 1.00 0.00 C ATOM 1269 CG PHE A 81 25.528 12.793 -3.269 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.372 12.342 -3.885 1.00 0.00 C ATOM 1271 CD2 PHE A 81 25.426 13.774 -2.297 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.138 12.859 -3.537 1.00 0.00 C ATOM 1273 CE2 PHE A 81 24.196 14.295 -1.945 1.00 0.00 C ATOM 1274 CZ PHE A 81 23.050 13.838 -2.567 1.00 0.00 C ATOM 0 H PHE A 81 26.476 10.094 -4.918 1.00 0.00 H new ATOM 0 HA PHE A 81 26.532 12.897 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.984 11.248 -3.187 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.651 12.868 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.436 11.578 -4.646 1.00 0.00 H new ATOM 0 HD2 PHE A 81 26.319 14.136 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.244 12.498 -4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 81 24.130 15.059 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 81 22.087 14.246 -2.295 1.00 0.00 H new ATOM 1284 N ASP A 82 28.883 13.191 -6.330 1.00 0.00 N ATOM 1285 CA ASP A 82 30.267 13.411 -6.736 1.00 0.00 C ATOM 1286 C ASP A 82 31.021 14.214 -5.682 1.00 0.00 C ATOM 1287 O ASP A 82 32.227 14.041 -5.501 1.00 0.00 O ATOM 1288 CB ASP A 82 30.316 14.138 -8.081 1.00 0.00 C ATOM 1289 CG ASP A 82 29.717 15.529 -8.010 1.00 0.00 C ATOM 1290 OD1 ASP A 82 28.557 15.652 -7.564 1.00 0.00 O ATOM 1291 OD2 ASP A 82 30.408 16.493 -8.400 1.00 0.00 O ATOM 0 H ASP A 82 28.216 13.849 -6.733 1.00 0.00 H new ATOM 0 HA ASP A 82 30.749 12.439 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 82 31.351 14.208 -8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 82 29.779 13.552 -8.827 1.00 0.00 H new ATOM 1296 N ASP A 83 30.305 15.092 -4.989 1.00 0.00 N ATOM 1297 CA ASP A 83 30.906 15.922 -3.952 1.00 0.00 C ATOM 1298 C ASP A 83 30.696 15.307 -2.573 1.00 0.00 C ATOM 1299 O ASP A 83 29.561 15.124 -2.131 1.00 0.00 O ATOM 1300 CB ASP A 83 30.315 17.333 -3.991 1.00 0.00 C ATOM 1301 CG ASP A 83 30.855 18.217 -2.884 1.00 0.00 C ATOM 1302 OD1 ASP A 83 32.030 18.039 -2.503 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.101 19.086 -2.398 1.00 0.00 O ATOM 0 H ASP A 83 29.306 15.247 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 83 31.977 15.980 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 83 30.535 17.789 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 83 29.230 17.272 -3.907 1.00 0.00 H new ATOM 1308 N GLN A 84 31.795 14.988 -1.898 1.00 0.00 N ATOM 1309 CA GLN A 84 31.730 14.391 -0.569 1.00 0.00 C ATOM 1310 C GLN A 84 31.063 15.339 0.421 1.00 0.00 C ATOM 1311 O GLN A 84 30.266 14.917 1.261 1.00 0.00 O ATOM 1312 CB GLN A 84 33.133 14.028 -0.080 1.00 0.00 C ATOM 1313 CG GLN A 84 33.152 13.403 1.305 1.00 0.00 C ATOM 1314 CD GLN A 84 34.532 13.419 1.934 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.088 12.372 2.264 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.092 14.611 2.103 1.00 0.00 N ATOM 0 H GLN A 84 32.742 15.133 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 84 31.130 13.483 -0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.588 13.335 -0.788 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.750 14.927 -0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 84 32.456 13.939 1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 84 32.798 12.374 1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.595 15.454 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.019 14.684 2.521 1.00 0.00 H new ATOM 1325 N LEU A 85 31.392 16.622 0.318 1.00 0.00 N ATOM 1326 CA LEU A 85 30.825 17.631 1.206 1.00 0.00 C ATOM 1327 C LEU A 85 29.327 17.788 0.965 1.00 0.00 C ATOM 1328 O LEU A 85 28.565 18.067 1.891 1.00 0.00 O ATOM 1329 CB LEU A 85 31.529 18.973 1.000 1.00 0.00 C ATOM 1330 CG LEU A 85 32.990 19.040 1.446 1.00 0.00 C ATOM 1331 CD1 LEU A 85 33.657 20.295 0.905 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.088 18.993 2.964 1.00 0.00 C ATOM 0 H LEU A 85 32.048 16.988 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 85 30.977 17.302 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.481 19.227 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.971 19.740 1.537 1.00 0.00 H new ATOM 0 HG LEU A 85 33.513 18.173 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 85 34.696 20.325 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.620 20.286 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 85 33.133 21.175 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.135 19.042 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.549 19.840 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.650 18.064 3.328 1.00 0.00 H new ATOM 1344 N TYR A 86 28.911 17.604 -0.283 1.00 0.00 N ATOM 1345 CA TYR A 86 27.504 17.725 -0.646 1.00 0.00 C ATOM 1346 C TYR A 86 26.665 16.669 0.066 1.00 0.00 C ATOM 1347 O TYR A 86 25.575 16.956 0.563 1.00 0.00 O ATOM 1348 CB TYR A 86 27.333 17.593 -2.160 1.00 0.00 C ATOM 1349 CG TYR A 86 25.889 17.586 -2.608 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.959 18.444 -2.034 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.455 16.722 -3.606 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.639 18.440 -2.440 1.00 0.00 C ATOM 1353 CE2 TYR A 86 24.137 16.713 -4.019 1.00 0.00 C ATOM 1354 CZ TYR A 86 23.232 17.573 -3.433 1.00 0.00 C ATOM 1355 OH TYR A 86 21.918 17.568 -3.841 1.00 0.00 O ATOM 0 H TYR A 86 29.528 17.370 -1.061 1.00 0.00 H new ATOM 0 HA TYR A 86 27.158 18.710 -0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.852 18.417 -2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.812 16.672 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 86 25.274 19.125 -1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 86 26.160 16.046 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.929 19.112 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.817 16.036 -4.797 1.00 0.00 H new ATOM 0 HH TYR A 86 21.798 16.900 -4.548 1.00 0.00 H new ATOM 1365 N PHE A 87 27.181 15.445 0.113 1.00 0.00 N ATOM 1366 CA PHE A 87 26.481 14.344 0.764 1.00 0.00 C ATOM 1367 C PHE A 87 26.387 14.574 2.270 1.00 0.00 C ATOM 1368 O PHE A 87 25.318 14.432 2.865 1.00 0.00 O ATOM 1369 CB PHE A 87 27.194 13.020 0.482 1.00 0.00 C ATOM 1370 CG PHE A 87 26.671 11.872 1.297 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.535 11.184 0.900 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.314 11.480 2.460 1.00 0.00 C ATOM 1373 CE1 PHE A 87 25.051 10.128 1.649 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.835 10.424 3.212 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.702 9.747 2.805 1.00 0.00 C ATOM 0 H PHE A 87 28.082 15.191 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 87 25.471 14.298 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.092 12.780 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.259 13.141 0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 87 25.022 11.476 -0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.200 12.006 2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 87 24.164 9.601 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.346 10.129 4.117 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.326 8.921 3.390 1.00 0.00 H new ATOM 1385 N SER A 88 27.513 14.929 2.880 1.00 0.00 N ATOM 1386 CA SER A 88 27.560 15.174 4.316 1.00 0.00 C ATOM 1387 C SER A 88 26.717 16.390 4.688 1.00 0.00 C ATOM 1388 O SER A 88 26.063 16.410 5.731 1.00 0.00 O ATOM 1389 CB SER A 88 29.005 15.383 4.772 1.00 0.00 C ATOM 1390 OG SER A 88 29.615 16.448 4.063 1.00 0.00 O ATOM 0 H SER A 88 28.405 15.053 2.402 1.00 0.00 H new ATOM 0 HA SER A 88 27.149 14.300 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.025 15.595 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.574 14.466 4.618 1.00 0.00 H new ATOM 0 HG SER A 88 29.057 16.692 3.295 1.00 0.00 H new ATOM 1396 N ARG A 89 26.737 17.402 3.826 1.00 0.00 N ATOM 1397 CA ARG A 89 25.975 18.622 4.063 1.00 0.00 C ATOM 1398 C ARG A 89 24.478 18.332 4.093 1.00 0.00 C ATOM 1399 O ARG A 89 23.777 18.724 5.026 1.00 0.00 O ATOM 1400 CB ARG A 89 26.284 19.659 2.981 1.00 0.00 C ATOM 1401 CG ARG A 89 27.534 20.477 3.260 1.00 0.00 C ATOM 1402 CD ARG A 89 27.369 21.339 4.502 1.00 0.00 C ATOM 1403 NE ARG A 89 26.138 22.124 4.465 1.00 0.00 N ATOM 1404 CZ ARG A 89 26.009 23.257 3.784 1.00 0.00 C ATOM 1405 NH1 ARG A 89 27.030 23.735 3.087 1.00 0.00 N ATOM 1406 NH2 ARG A 89 24.856 23.914 3.800 1.00 0.00 N ATOM 0 H ARG A 89 27.272 17.401 2.958 1.00 0.00 H new ATOM 0 HA ARG A 89 26.268 19.021 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 89 26.399 19.150 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 89 25.433 20.333 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 89 28.386 19.809 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.754 21.112 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.366 20.703 5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 89 28.224 22.009 4.594 1.00 0.00 H new ATOM 0 HE ARG A 89 25.333 21.783 4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 89 27.918 23.233 3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 89 26.928 24.605 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 89 24.068 23.549 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 89 24.757 24.784 3.277 1.00 0.00 H new ATOM 1420 N VAL A 90 23.993 17.642 3.065 1.00 0.00 N ATOM 1421 CA VAL A 90 22.579 17.299 2.973 1.00 0.00 C ATOM 1422 C VAL A 90 22.202 16.245 4.007 1.00 0.00 C ATOM 1423 O VAL A 90 21.188 16.369 4.694 1.00 0.00 O ATOM 1424 CB VAL A 90 22.219 16.777 1.569 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.756 16.364 1.512 1.00 0.00 C ATOM 1426 CG2 VAL A 90 22.525 17.830 0.515 1.00 0.00 C ATOM 0 H VAL A 90 24.559 17.310 2.284 1.00 0.00 H new ATOM 0 HA VAL A 90 22.017 18.213 3.168 1.00 0.00 H new ATOM 0 HB VAL A 90 22.829 15.898 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.520 15.998 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.572 15.574 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.126 17.223 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 90 22.265 17.444 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.943 18.729 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 90 23.587 18.073 0.541 1.00 0.00 H new ATOM 1436 N PHE A 91 23.025 15.207 4.114 1.00 0.00 N ATOM 1437 CA PHE A 91 22.777 14.129 5.065 1.00 0.00 C ATOM 1438 C PHE A 91 22.774 14.657 6.496 1.00 0.00 C ATOM 1439 O PHE A 91 22.009 14.191 7.341 1.00 0.00 O ATOM 1440 CB PHE A 91 23.836 13.035 4.915 1.00 0.00 C ATOM 1441 CG PHE A 91 23.739 11.960 5.960 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.382 12.100 7.179 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.004 10.809 5.722 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.294 11.112 8.142 1.00 0.00 C ATOM 1445 CE2 PHE A 91 22.912 9.819 6.682 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.559 9.970 7.893 1.00 0.00 C ATOM 0 H PHE A 91 23.869 15.089 3.554 1.00 0.00 H new ATOM 0 HA PHE A 91 21.795 13.707 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.741 12.581 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.826 13.489 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.959 12.991 7.379 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.498 10.685 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.800 11.233 9.088 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.335 8.928 6.485 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.490 9.196 8.644 1.00 0.00 H new ATOM 1456 N LYS A 92 23.635 15.634 6.762 1.00 0.00 N ATOM 1457 CA LYS A 92 23.732 16.228 8.090 1.00 0.00 C ATOM 1458 C LYS A 92 22.386 16.789 8.536 1.00 0.00 C ATOM 1459 O LYS A 92 22.074 16.811 9.727 1.00 0.00 O ATOM 1460 CB LYS A 92 24.787 17.337 8.099 1.00 0.00 C ATOM 1461 CG LYS A 92 24.803 18.151 9.381 1.00 0.00 C ATOM 1462 CD LYS A 92 24.159 19.513 9.185 1.00 0.00 C ATOM 1463 CE LYS A 92 24.890 20.593 9.968 1.00 0.00 C ATOM 1464 NZ LYS A 92 26.292 20.768 9.495 1.00 0.00 N ATOM 0 H LYS A 92 24.276 16.031 6.075 1.00 0.00 H new ATOM 0 HA LYS A 92 24.029 15.446 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.771 16.892 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.607 18.005 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.275 17.607 10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 92 25.831 18.279 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 92 24.159 19.767 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.117 19.473 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.354 21.537 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.893 20.335 11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.593 21.750 9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.918 20.124 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.345 20.552 8.479 1.00 0.00 H new ATOM 1478 N LYS A 93 21.590 17.241 7.572 1.00 0.00 N ATOM 1479 CA LYS A 93 20.276 17.800 7.864 1.00 0.00 C ATOM 1480 C LYS A 93 19.270 16.694 8.169 1.00 0.00 C ATOM 1481 O LYS A 93 18.281 16.917 8.869 1.00 0.00 O ATOM 1482 CB LYS A 93 19.783 18.641 6.685 1.00 0.00 C ATOM 1483 CG LYS A 93 20.743 19.747 6.283 1.00 0.00 C ATOM 1484 CD LYS A 93 20.354 21.077 6.908 1.00 0.00 C ATOM 1485 CE LYS A 93 20.684 22.243 5.989 1.00 0.00 C ATOM 1486 NZ LYS A 93 19.869 23.448 6.307 1.00 0.00 N ATOM 0 H LYS A 93 21.833 17.231 6.581 1.00 0.00 H new ATOM 0 HA LYS A 93 20.367 18.437 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.615 17.988 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.820 19.083 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.755 19.482 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.754 19.843 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.287 21.078 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.876 21.201 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.743 22.487 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.510 21.950 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.124 24.220 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.860 23.223 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.054 23.743 7.287 1.00 0.00 H new ATOM 1500 N CYS A 94 19.529 15.503 7.642 1.00 0.00 N ATOM 1501 CA CYS A 94 18.647 14.362 7.858 1.00 0.00 C ATOM 1502 C CYS A 94 18.601 13.983 9.335 1.00 0.00 C ATOM 1503 O CYS A 94 17.526 13.832 9.916 1.00 0.00 O ATOM 1504 CB CYS A 94 19.111 13.166 7.026 1.00 0.00 C ATOM 1505 SG CYS A 94 18.033 11.720 7.145 1.00 0.00 S ATOM 0 H CYS A 94 20.343 15.302 7.062 1.00 0.00 H new ATOM 0 HA CYS A 94 17.643 14.646 7.543 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.180 13.469 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 94 20.115 12.884 7.343 1.00 0.00 H new ATOM 0 HG CYS A 94 17.410 11.549 6.017 1.00 0.00 H new ATOM 1511 N THR A 95 19.776 13.828 9.937 1.00 0.00 N ATOM 1512 CA THR A 95 19.871 13.463 11.345 1.00 0.00 C ATOM 1513 C THR A 95 20.141 14.687 12.213 1.00 0.00 C ATOM 1514 O THR A 95 20.026 14.630 13.437 1.00 0.00 O ATOM 1515 CB THR A 95 20.983 12.424 11.583 1.00 0.00 C ATOM 1516 OG1 THR A 95 22.267 13.035 11.422 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.847 11.256 10.618 1.00 0.00 C ATOM 0 H THR A 95 20.675 13.950 9.471 1.00 0.00 H new ATOM 0 HA THR A 95 18.912 13.027 11.624 1.00 0.00 H new ATOM 0 HB THR A 95 20.886 12.047 12.601 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.968 12.368 11.576 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.643 10.535 10.805 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.880 10.775 10.763 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.921 11.620 9.593 1.00 0.00 H new ATOM 1525 N GLY A 96 20.500 15.795 11.571 1.00 0.00 N ATOM 1526 CA GLY A 96 20.780 17.017 12.301 1.00 0.00 C ATOM 1527 C GLY A 96 22.258 17.194 12.590 1.00 0.00 C ATOM 1528 O GLY A 96 22.686 18.256 13.042 1.00 0.00 O ATOM 0 H GLY A 96 20.602 15.868 10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.421 17.870 11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.227 17.010 13.241 1.00 0.00 H new ATOM 1532 N ALA A 97 23.039 16.150 12.332 1.00 0.00 N ATOM 1533 CA ALA A 97 24.477 16.195 12.567 1.00 0.00 C ATOM 1534 C ALA A 97 25.240 15.527 11.429 1.00 0.00 C ATOM 1535 O ALA A 97 24.719 14.635 10.758 1.00 0.00 O ATOM 1536 CB ALA A 97 24.815 15.532 13.893 1.00 0.00 C ATOM 0 H ALA A 97 22.700 15.263 11.960 1.00 0.00 H new ATOM 0 HA ALA A 97 24.782 17.241 12.608 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.892 15.573 14.056 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.306 16.056 14.702 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.490 14.492 13.873 1.00 0.00 H new ATOM 1542 N SER A 98 26.477 15.963 11.215 1.00 0.00 N ATOM 1543 CA SER A 98 27.311 15.410 10.155 1.00 0.00 C ATOM 1544 C SER A 98 27.608 13.935 10.411 1.00 0.00 C ATOM 1545 O SER A 98 27.435 13.424 11.517 1.00 0.00 O ATOM 1546 CB SER A 98 28.620 16.193 10.045 1.00 0.00 C ATOM 1547 OG SER A 98 28.561 17.141 8.993 1.00 0.00 O ATOM 0 H SER A 98 26.924 16.698 11.762 1.00 0.00 H new ATOM 0 HA SER A 98 26.765 15.496 9.216 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.823 16.703 10.987 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.446 15.504 9.871 1.00 0.00 H new ATOM 0 HG SER A 98 29.409 17.629 8.945 1.00 0.00 H new ATOM 1553 N PRO A 99 28.065 13.234 9.363 1.00 0.00 N ATOM 1554 CA PRO A 99 28.397 11.809 9.448 1.00 0.00 C ATOM 1555 C PRO A 99 29.643 11.552 10.289 1.00 0.00 C ATOM 1556 O PRO A 99 29.798 10.481 10.874 1.00 0.00 O ATOM 1557 CB PRO A 99 28.645 11.415 7.990 1.00 0.00 C ATOM 1558 CG PRO A 99 29.052 12.681 7.319 1.00 0.00 C ATOM 1559 CD PRO A 99 28.295 13.779 8.014 1.00 0.00 C ATOM 0 HA PRO A 99 27.606 11.235 9.931 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.425 10.657 7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.747 10.997 7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 99 30.128 12.837 7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.812 12.654 6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.870 14.705 8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.357 14.004 7.506 1.00 0.00 H new ATOM 1567 N SER A 100 30.528 12.543 10.344 1.00 0.00 N ATOM 1568 CA SER A 100 31.762 12.423 11.111 1.00 0.00 C ATOM 1569 C SER A 100 31.469 12.360 12.607 1.00 0.00 C ATOM 1570 O SER A 100 32.171 11.687 13.360 1.00 0.00 O ATOM 1571 CB SER A 100 32.690 13.601 10.811 1.00 0.00 C ATOM 1572 OG SER A 100 31.970 14.821 10.772 1.00 0.00 O ATOM 0 H SER A 100 30.413 13.437 9.867 1.00 0.00 H new ATOM 0 HA SER A 100 32.255 11.497 10.816 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.468 13.658 11.573 1.00 0.00 H new ATOM 0 HB3 SER A 100 33.190 13.440 9.856 1.00 0.00 H new ATOM 0 HG SER A 100 32.586 15.559 10.580 1.00 0.00 H new ATOM 1578 N GLU A 101 30.425 13.067 13.029 1.00 0.00 N ATOM 1579 CA GLU A 101 30.039 13.092 14.435 1.00 0.00 C ATOM 1580 C GLU A 101 29.374 11.780 14.840 1.00 0.00 C ATOM 1581 O GLU A 101 29.716 11.188 15.864 1.00 0.00 O ATOM 1582 CB GLU A 101 29.090 14.262 14.705 1.00 0.00 C ATOM 1583 CG GLU A 101 29.148 14.776 16.134 1.00 0.00 C ATOM 1584 CD GLU A 101 29.252 13.657 17.152 1.00 0.00 C ATOM 1585 OE1 GLU A 101 28.197 13.127 17.560 1.00 0.00 O ATOM 1586 OE2 GLU A 101 30.387 13.311 17.541 1.00 0.00 O ATOM 0 H GLU A 101 29.832 13.629 12.418 1.00 0.00 H new ATOM 0 HA GLU A 101 30.942 13.221 15.031 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.331 15.078 14.024 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.070 13.950 14.481 1.00 0.00 H new ATOM 0 HG2 GLU A 101 30.004 15.442 16.242 1.00 0.00 H new ATOM 0 HG3 GLU A 101 28.256 15.368 16.340 1.00 0.00 H new ATOM 1593 N PHE A 102 28.421 11.331 14.030 1.00 0.00 N ATOM 1594 CA PHE A 102 27.706 10.090 14.304 1.00 0.00 C ATOM 1595 C PHE A 102 28.671 8.909 14.364 1.00 0.00 C ATOM 1596 O PHE A 102 28.553 8.042 15.230 1.00 0.00 O ATOM 1597 CB PHE A 102 26.644 9.841 13.231 1.00 0.00 C ATOM 1598 CG PHE A 102 25.738 8.684 13.542 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.735 8.808 14.490 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.888 7.473 12.886 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.900 7.745 14.778 1.00 0.00 C ATOM 1602 CE2 PHE A 102 25.056 6.407 13.170 1.00 0.00 C ATOM 1603 CZ PHE A 102 24.060 6.543 14.117 1.00 0.00 C ATOM 0 H PHE A 102 28.126 11.808 13.178 1.00 0.00 H new ATOM 0 HA PHE A 102 27.217 10.187 15.273 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.042 10.742 13.111 1.00 0.00 H new ATOM 0 HB3 PHE A 102 27.139 9.659 12.277 1.00 0.00 H new ATOM 0 HD1 PHE A 102 24.604 9.746 15.010 1.00 0.00 H new ATOM 0 HD2 PHE A 102 26.664 7.361 12.144 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.123 7.854 15.520 1.00 0.00 H new ATOM 0 HE2 PHE A 102 25.184 5.468 12.652 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.408 5.711 14.340 1.00 0.00 H new ATOM 1613 N ARG A 103 29.624 8.883 13.438 1.00 0.00 N ATOM 1614 CA ARG A 103 30.607 7.808 13.384 1.00 0.00 C ATOM 1615 C ARG A 103 31.382 7.714 14.695 1.00 0.00 C ATOM 1616 O ARG A 103 31.768 6.627 15.123 1.00 0.00 O ATOM 1617 CB ARG A 103 31.576 8.033 12.222 1.00 0.00 C ATOM 1618 CG ARG A 103 32.308 6.774 11.787 1.00 0.00 C ATOM 1619 CD ARG A 103 32.857 6.908 10.375 1.00 0.00 C ATOM 1620 NE ARG A 103 33.984 7.834 10.312 1.00 0.00 N ATOM 1621 CZ ARG A 103 35.186 7.564 10.809 1.00 0.00 C ATOM 1622 NH1 ARG A 103 35.416 6.401 11.403 1.00 0.00 N ATOM 1623 NH2 ARG A 103 36.162 8.458 10.712 1.00 0.00 N ATOM 0 H ARG A 103 29.736 9.594 12.715 1.00 0.00 H new ATOM 0 HA ARG A 103 30.075 6.870 13.228 1.00 0.00 H new ATOM 0 HB2 ARG A 103 31.024 8.434 11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 103 32.308 8.787 12.511 1.00 0.00 H new ATOM 0 HG2 ARG A 103 33.126 6.570 12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 103 31.629 5.922 11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 103 33.172 5.929 10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 103 32.066 7.254 9.710 1.00 0.00 H new ATOM 0 HE ARG A 103 33.841 8.738 9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 103 34.669 5.711 11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 103 36.340 6.197 11.784 1.00 0.00 H new ATOM 0 HH21 ARG A 103 35.990 9.354 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 103 37.084 8.249 11.094 1.00 0.00 H new ATOM 1637 N ALA A 104 31.606 8.861 15.328 1.00 0.00 N ATOM 1638 CA ALA A 104 32.333 8.908 16.591 1.00 0.00 C ATOM 1639 C ALA A 104 31.539 8.236 17.706 1.00 0.00 C ATOM 1640 O ALA A 104 32.113 7.665 18.633 1.00 0.00 O ATOM 1641 CB ALA A 104 32.653 10.348 16.962 1.00 0.00 C ATOM 0 H ALA A 104 31.294 9.770 14.987 1.00 0.00 H new ATOM 0 HA ALA A 104 33.267 8.361 16.465 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.196 10.368 17.907 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.267 10.797 16.181 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.726 10.912 17.064 1.00 0.00 H new ATOM 1647 N GLY A 105 30.215 8.309 17.611 1.00 0.00 N ATOM 1648 CA GLY A 105 29.364 7.704 18.620 1.00 0.00 C ATOM 1649 C GLY A 105 29.188 8.590 19.837 1.00 0.00 C ATOM 1650 O GLY A 105 28.685 8.145 20.869 1.00 0.00 O ATOM 0 H GLY A 105 29.716 8.776 16.854 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.387 7.490 18.186 1.00 0.00 H new ATOM 0 HA3 GLY A 105 29.792 6.750 18.928 1.00 0.00 H new ATOM 1654 N CYS A 106 29.604 9.846 19.717 1.00 0.00 N ATOM 1655 CA CYS A 106 29.492 10.797 20.818 1.00 0.00 C ATOM 1656 C CYS A 106 28.032 11.152 21.083 1.00 0.00 C ATOM 1657 O CYS A 106 27.290 11.493 20.162 1.00 0.00 O ATOM 1658 CB CYS A 106 30.289 12.064 20.508 1.00 0.00 C ATOM 1659 SG CYS A 106 30.782 13.003 21.972 1.00 0.00 S ATOM 0 H CYS A 106 30.022 10.230 18.869 1.00 0.00 H new ATOM 0 HA CYS A 106 29.902 10.329 21.713 1.00 0.00 H new ATOM 0 HB2 CYS A 106 31.183 11.790 19.947 1.00 0.00 H new ATOM 0 HB3 CYS A 106 29.692 12.707 19.861 1.00 0.00 H new ATOM 0 HG CYS A 106 31.453 14.055 21.607 1.00 0.00 H new