USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 150 ZNZN :(H bumps) USER MOD Set 1.1: A 69 THR OG1 : rot 13:sc= 0.647 USER MOD Set 1.2: A 70 ASN : amide:sc= -2.62! C(o=-2!,f=-5.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 8 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.9!) USER MOD Single : A 10 GLN : amide:sc= 0.00899 K(o=0.009,f=-1.3) USER MOD Single : A 11 ASN : amide:sc= -3.85! K(o=-3.8!,f=-2) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -178:sc= -1.55 (180deg=-1.59) USER MOD Single : A 31 THR OG1 : rot -159:sc= -0.243 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc=-0.000428 X(o=-0.00043,f=-0.00043) USER MOD Single : A 43 MET CE :methyl 157:sc= -2.78! (180deg=-3.51!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 27:sc= -0.809 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.12) USER MOD Single : A 53 TYR OH : rot 90:sc= -0.435 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.44! USER MOD Single : A 58 TYR OH : rot -179:sc= 0.00508 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -29:sc= 0.0424 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 68 GLN : amide:sc= -0.886 K(o=-0.89,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 73:sc= 0.274 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.241 K(o=-0.24,f=-4.5!) USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 0.442 (180deg=0.0149) USER MOD Single : A 82 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 83 HIS : no HD1:sc=-0.00266 X(o=-0.0027,f=-0.0014) USER MOD Single : A 84 HIS : no HD1:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.022) USER MOD Single : A 86 HIS : no HD1:sc= -0.263 X(o=-0.26,f=0.038) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.958 -8.563 -11.174 1.00 0.00 N ATOM 2 CA MET A 1 -3.531 -9.907 -10.723 1.00 0.00 C ATOM 3 C MET A 1 -4.715 -10.869 -10.707 1.00 0.00 C ATOM 4 O MET A 1 -4.884 -11.664 -11.633 1.00 0.00 O ATOM 5 CB MET A 1 -2.885 -9.829 -9.334 1.00 0.00 C ATOM 6 CG MET A 1 -2.388 -11.169 -8.810 1.00 0.00 C ATOM 7 SD MET A 1 -1.159 -11.926 -9.888 1.00 0.00 S ATOM 8 CE MET A 1 -0.769 -13.410 -8.959 1.00 0.00 C ATOM 0 H1 MET A 1 -3.139 -7.922 -11.179 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.352 -8.628 -12.134 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.683 -8.194 -10.526 1.00 0.00 H new ATOM 0 HA MET A 1 -2.790 -10.285 -11.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.048 -9.132 -9.372 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.609 -9.420 -8.629 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.958 -11.030 -7.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.234 -11.847 -8.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.019 -13.989 -9.497 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.380 -13.134 -7.979 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.671 -14.010 -8.836 1.00 0.00 H new ATOM 20 N ALA A 2 -5.539 -10.768 -9.664 1.00 0.00 N ATOM 21 CA ALA A 2 -6.708 -11.628 -9.487 1.00 0.00 C ATOM 22 C ALA A 2 -7.378 -11.319 -8.156 1.00 0.00 C ATOM 23 O ALA A 2 -8.458 -10.729 -8.111 1.00 0.00 O ATOM 24 CB ALA A 2 -6.325 -13.103 -9.543 1.00 0.00 C ATOM 0 H ALA A 2 -5.414 -10.086 -8.916 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.403 -11.428 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.216 -13.716 -9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.875 -13.326 -10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.610 -13.324 -8.751 1.00 0.00 H new ATOM 30 N ASP A 3 -6.713 -11.698 -7.072 1.00 0.00 N ATOM 31 CA ASP A 3 -7.241 -11.470 -5.733 1.00 0.00 C ATOM 32 C ASP A 3 -6.746 -10.137 -5.194 1.00 0.00 C ATOM 33 O ASP A 3 -5.571 -9.802 -5.328 1.00 0.00 O ATOM 34 CB ASP A 3 -6.808 -12.589 -4.779 1.00 0.00 C ATOM 35 CG ASP A 3 -7.083 -13.977 -5.324 1.00 0.00 C ATOM 36 OD1 ASP A 3 -8.249 -14.421 -5.298 1.00 0.00 O ATOM 37 OD2 ASP A 3 -6.124 -14.639 -5.769 1.00 0.00 O ATOM 0 H ASP A 3 -5.806 -12.165 -7.094 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.329 -11.459 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.742 -12.491 -4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.328 -12.469 -3.829 1.00 0.00 H new ATOM 42 N TYR A 4 -7.642 -9.382 -4.580 1.00 0.00 N ATOM 43 CA TYR A 4 -7.284 -8.099 -3.989 1.00 0.00 C ATOM 44 C TYR A 4 -7.204 -8.211 -2.469 1.00 0.00 C ATOM 45 O TYR A 4 -7.418 -7.236 -1.749 1.00 0.00 O ATOM 46 CB TYR A 4 -8.287 -7.013 -4.403 1.00 0.00 C ATOM 47 CG TYR A 4 -9.745 -7.429 -4.317 1.00 0.00 C ATOM 48 CD1 TYR A 4 -10.427 -7.432 -3.105 1.00 0.00 C ATOM 49 CD2 TYR A 4 -10.442 -7.800 -5.460 1.00 0.00 C ATOM 50 CE1 TYR A 4 -11.759 -7.797 -3.038 1.00 0.00 C ATOM 51 CE2 TYR A 4 -11.771 -8.167 -5.400 1.00 0.00 C ATOM 52 CZ TYR A 4 -12.425 -8.163 -4.188 1.00 0.00 C ATOM 53 OH TYR A 4 -13.754 -8.518 -4.128 1.00 0.00 O ATOM 0 H TYR A 4 -8.625 -9.634 -4.477 1.00 0.00 H new ATOM 0 HA TYR A 4 -6.300 -7.813 -4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -8.135 -6.138 -3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -8.070 -6.709 -5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.908 -7.145 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.934 -7.801 -6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.275 -7.795 -2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.295 -8.456 -6.299 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.072 -8.747 -5.026 1.00 0.00 H new ATOM 63 N ASN A 5 -6.856 -9.406 -1.997 1.00 0.00 N ATOM 64 CA ASN A 5 -6.783 -9.687 -0.565 1.00 0.00 C ATOM 65 C ASN A 5 -5.700 -8.851 0.111 1.00 0.00 C ATOM 66 O ASN A 5 -5.885 -8.359 1.223 1.00 0.00 O ATOM 67 CB ASN A 5 -6.517 -11.178 -0.330 1.00 0.00 C ATOM 68 CG ASN A 5 -6.486 -11.544 1.145 1.00 0.00 C ATOM 69 OD1 ASN A 5 -5.435 -11.519 1.783 1.00 0.00 O ATOM 70 ND2 ASN A 5 -7.640 -11.893 1.693 1.00 0.00 N ATOM 0 H ASN A 5 -6.618 -10.201 -2.591 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.743 -9.419 -0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.289 -11.763 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.566 -11.449 -0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.678 -12.154 2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.490 -11.901 1.130 1.00 0.00 H new ATOM 77 N ILE A 6 -4.579 -8.686 -0.574 1.00 0.00 N ATOM 78 CA ILE A 6 -3.455 -7.938 -0.026 1.00 0.00 C ATOM 79 C ILE A 6 -3.734 -6.435 -0.047 1.00 0.00 C ATOM 80 O ILE A 6 -4.415 -5.932 -0.951 1.00 0.00 O ATOM 81 CB ILE A 6 -2.139 -8.235 -0.780 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.271 -7.895 -2.267 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.748 -9.694 -0.596 1.00 0.00 C ATOM 84 CD1 ILE A 6 -0.978 -8.044 -3.041 1.00 0.00 C ATOM 0 H ILE A 6 -4.422 -9.059 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.335 -8.265 1.007 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.353 -7.606 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.028 -8.541 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.628 -6.870 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.819 -9.892 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.607 -9.902 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.537 -10.335 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.148 -7.787 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.224 -7.378 -2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.630 -9.075 -2.973 1.00 0.00 H new ATOM 96 N PRO A 7 -3.224 -5.708 0.964 1.00 0.00 N ATOM 97 CA PRO A 7 -3.441 -4.263 1.110 1.00 0.00 C ATOM 98 C PRO A 7 -3.136 -3.480 -0.164 1.00 0.00 C ATOM 99 O PRO A 7 -2.089 -3.652 -0.790 1.00 0.00 O ATOM 100 CB PRO A 7 -2.474 -3.871 2.226 1.00 0.00 C ATOM 101 CG PRO A 7 -2.334 -5.107 3.041 1.00 0.00 C ATOM 102 CD PRO A 7 -2.399 -6.248 2.065 1.00 0.00 C ATOM 0 HA PRO A 7 -4.485 -4.035 1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.513 -3.548 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.865 -3.045 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.390 -5.112 3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.130 -5.180 3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.407 -6.538 1.719 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.853 -7.133 2.511 1.00 0.00 H new ATOM 110 N HIS A 8 -4.075 -2.630 -0.543 1.00 0.00 N ATOM 111 CA HIS A 8 -3.933 -1.790 -1.721 1.00 0.00 C ATOM 112 C HIS A 8 -4.068 -0.325 -1.333 1.00 0.00 C ATOM 113 O HIS A 8 -4.862 0.020 -0.456 1.00 0.00 O ATOM 114 CB HIS A 8 -4.996 -2.146 -2.764 1.00 0.00 C ATOM 115 CG HIS A 8 -4.613 -3.257 -3.694 1.00 0.00 C ATOM 116 ND1 HIS A 8 -4.534 -4.578 -3.316 1.00 0.00 N ATOM 117 CD2 HIS A 8 -4.319 -3.229 -5.014 1.00 0.00 C ATOM 118 CE1 HIS A 8 -4.210 -5.313 -4.364 1.00 0.00 C ATOM 119 NE2 HIS A 8 -4.076 -4.518 -5.412 1.00 0.00 N ATOM 0 H HIS A 8 -4.956 -2.502 -0.044 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.946 -1.961 -2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.914 -2.424 -2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.219 -1.257 -3.354 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -4.700 -4.933 -2.374 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.282 -2.350 -5.641 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.077 -6.385 -4.365 1.00 0.00 H new ATOM 128 N PHE A 9 -3.295 0.532 -1.980 1.00 0.00 N ATOM 129 CA PHE A 9 -3.348 1.961 -1.707 1.00 0.00 C ATOM 130 C PHE A 9 -3.716 2.726 -2.971 1.00 0.00 C ATOM 131 O PHE A 9 -4.031 2.123 -3.998 1.00 0.00 O ATOM 132 CB PHE A 9 -2.006 2.453 -1.158 1.00 0.00 C ATOM 133 CG PHE A 9 -1.609 1.791 0.130 1.00 0.00 C ATOM 134 CD1 PHE A 9 -2.275 2.084 1.307 1.00 0.00 C ATOM 135 CD2 PHE A 9 -0.574 0.874 0.160 1.00 0.00 C ATOM 136 CE1 PHE A 9 -1.916 1.476 2.493 1.00 0.00 C ATOM 137 CE2 PHE A 9 -0.209 0.263 1.343 1.00 0.00 C ATOM 138 CZ PHE A 9 -0.881 0.562 2.510 1.00 0.00 C ATOM 0 H PHE A 9 -2.623 0.264 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.115 2.141 -0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.230 2.276 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.059 3.531 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.086 2.797 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.046 0.634 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.443 1.714 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.603 -0.449 1.355 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.598 0.082 3.435 1.00 0.00 H new ATOM 148 N GLN A 10 -3.689 4.046 -2.887 1.00 0.00 N ATOM 149 CA GLN A 10 -4.029 4.894 -4.017 1.00 0.00 C ATOM 150 C GLN A 10 -3.045 6.053 -4.117 1.00 0.00 C ATOM 151 O GLN A 10 -2.871 6.820 -3.170 1.00 0.00 O ATOM 152 CB GLN A 10 -5.474 5.402 -3.891 1.00 0.00 C ATOM 153 CG GLN A 10 -5.761 6.172 -2.604 1.00 0.00 C ATOM 154 CD GLN A 10 -5.984 7.654 -2.844 1.00 0.00 C ATOM 155 OE1 GLN A 10 -5.436 8.235 -3.782 1.00 0.00 O ATOM 156 NE2 GLN A 10 -6.784 8.280 -1.996 1.00 0.00 N ATOM 0 H GLN A 10 -3.433 4.556 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.959 4.308 -4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.696 6.046 -4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.152 4.551 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.643 5.750 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.927 6.041 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.220 7.765 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.965 9.278 -2.107 1.00 0.00 H new ATOM 165 N ASN A 11 -2.375 6.162 -5.253 1.00 0.00 N ATOM 166 CA ASN A 11 -1.420 7.241 -5.455 1.00 0.00 C ATOM 167 C ASN A 11 -1.685 7.946 -6.778 1.00 0.00 C ATOM 168 O ASN A 11 -1.215 7.517 -7.830 1.00 0.00 O ATOM 169 CB ASN A 11 0.018 6.700 -5.443 1.00 0.00 C ATOM 170 CG ASN A 11 0.410 6.072 -4.117 1.00 0.00 C ATOM 171 OD1 ASN A 11 0.161 4.890 -3.877 1.00 0.00 O ATOM 172 ND2 ASN A 11 1.051 6.848 -3.255 1.00 0.00 N ATOM 0 H ASN A 11 -2.473 5.524 -6.043 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.539 7.953 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.127 5.959 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.707 7.513 -5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.356 6.470 -2.358 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.240 7.823 -3.489 1.00 0.00 H new ATOM 179 N ASP A 12 -2.465 9.017 -6.720 1.00 0.00 N ATOM 180 CA ASP A 12 -2.700 9.862 -7.887 1.00 0.00 C ATOM 181 C ASP A 12 -1.645 10.955 -7.971 1.00 0.00 C ATOM 182 O ASP A 12 -0.889 11.039 -8.938 1.00 0.00 O ATOM 183 CB ASP A 12 -4.098 10.485 -7.841 1.00 0.00 C ATOM 184 CG ASP A 12 -4.337 11.449 -8.987 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.804 11.004 -10.059 1.00 0.00 O ATOM 186 OD2 ASP A 12 -4.057 12.654 -8.825 1.00 0.00 O ATOM 0 H ASP A 12 -2.948 9.323 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.633 9.235 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.847 9.694 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.228 11.010 -6.895 1.00 0.00 H new ATOM 191 N LEU A 13 -1.604 11.783 -6.932 1.00 0.00 N ATOM 192 CA LEU A 13 -0.671 12.902 -6.863 1.00 0.00 C ATOM 193 C LEU A 13 0.754 12.405 -6.644 1.00 0.00 C ATOM 194 O LEU A 13 1.711 12.987 -7.150 1.00 0.00 O ATOM 195 CB LEU A 13 -1.067 13.877 -5.737 1.00 0.00 C ATOM 196 CG LEU A 13 -0.924 13.351 -4.298 1.00 0.00 C ATOM 197 CD1 LEU A 13 -1.031 14.496 -3.307 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.979 12.300 -3.983 1.00 0.00 C ATOM 0 H LEU A 13 -2.213 11.698 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.715 13.432 -7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.460 14.777 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.104 14.174 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 13 0.058 12.886 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.928 14.110 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.240 15.221 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.002 14.980 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.849 11.950 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.972 12.736 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.873 11.460 -4.670 1.00 0.00 H new ATOM 210 N GLY A 14 0.883 11.317 -5.897 1.00 0.00 N ATOM 211 CA GLY A 14 2.189 10.780 -5.588 1.00 0.00 C ATOM 212 C GLY A 14 2.358 10.552 -4.104 1.00 0.00 C ATOM 213 O GLY A 14 2.059 9.466 -3.611 1.00 0.00 O ATOM 0 H GLY A 14 0.102 10.796 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.332 9.839 -6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.959 11.466 -5.942 1.00 0.00 H new ATOM 217 N TYR A 15 2.812 11.595 -3.400 1.00 0.00 N ATOM 218 CA TYR A 15 3.065 11.535 -1.960 1.00 0.00 C ATOM 219 C TYR A 15 4.263 10.624 -1.700 1.00 0.00 C ATOM 220 O TYR A 15 4.116 9.427 -1.467 1.00 0.00 O ATOM 221 CB TYR A 15 1.811 11.062 -1.207 1.00 0.00 C ATOM 222 CG TYR A 15 1.846 11.279 0.292 1.00 0.00 C ATOM 223 CD1 TYR A 15 2.311 12.471 0.835 1.00 0.00 C ATOM 224 CD2 TYR A 15 1.400 10.292 1.162 1.00 0.00 C ATOM 225 CE1 TYR A 15 2.334 12.671 2.203 1.00 0.00 C ATOM 226 CE2 TYR A 15 1.417 10.485 2.530 1.00 0.00 C ATOM 227 CZ TYR A 15 1.885 11.675 3.046 1.00 0.00 C ATOM 228 OH TYR A 15 1.908 11.869 4.411 1.00 0.00 O ATOM 0 H TYR A 15 3.014 12.505 -3.815 1.00 0.00 H new ATOM 0 HA TYR A 15 3.301 12.531 -1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.943 11.581 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.667 9.999 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.660 13.254 0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.034 9.358 0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.701 13.602 2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.065 9.708 3.192 1.00 0.00 H new ATOM 0 HH TYR A 15 1.557 11.072 4.861 1.00 0.00 H new ATOM 238 N LYS A 16 5.456 11.210 -1.759 1.00 0.00 N ATOM 239 CA LYS A 16 6.696 10.436 -1.787 1.00 0.00 C ATOM 240 C LYS A 16 7.125 9.932 -0.409 1.00 0.00 C ATOM 241 O LYS A 16 8.206 9.359 -0.264 1.00 0.00 O ATOM 242 CB LYS A 16 7.820 11.248 -2.435 1.00 0.00 C ATOM 243 CG LYS A 16 7.570 11.550 -3.907 1.00 0.00 C ATOM 244 CD LYS A 16 8.845 11.966 -4.629 1.00 0.00 C ATOM 245 CE LYS A 16 9.413 13.261 -4.081 1.00 0.00 C ATOM 246 NZ LYS A 16 10.650 13.665 -4.802 1.00 0.00 N ATOM 0 H LYS A 16 5.591 12.221 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 16 6.494 9.551 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.940 12.186 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.758 10.701 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.150 10.669 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.829 12.345 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.589 11.175 -4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.637 12.083 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.667 14.051 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.632 13.143 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.011 14.554 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.370 12.922 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.435 13.802 -5.810 1.00 0.00 H new ATOM 260 N ILE A 17 6.288 10.135 0.594 1.00 0.00 N ATOM 261 CA ILE A 17 6.501 9.527 1.902 1.00 0.00 C ATOM 262 C ILE A 17 5.163 9.077 2.462 1.00 0.00 C ATOM 263 O ILE A 17 4.331 9.907 2.815 1.00 0.00 O ATOM 264 CB ILE A 17 7.158 10.510 2.905 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.516 10.997 2.388 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.320 9.846 4.267 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.171 12.039 3.273 1.00 0.00 C ATOM 0 H ILE A 17 5.453 10.717 0.530 1.00 0.00 H new ATOM 0 HA ILE A 17 7.177 8.682 1.769 1.00 0.00 H new ATOM 0 HB ILE A 17 6.504 11.375 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.186 10.142 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.386 11.413 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.783 10.548 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.342 9.551 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.952 8.963 4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.127 12.334 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.522 12.912 3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.335 11.622 4.267 1.00 0.00 H new ATOM 279 N ILE A 18 4.950 7.770 2.543 1.00 0.00 N ATOM 280 CA ILE A 18 3.670 7.265 3.052 1.00 0.00 C ATOM 281 C ILE A 18 3.784 6.649 4.452 1.00 0.00 C ATOM 282 O ILE A 18 4.652 5.821 4.720 1.00 0.00 O ATOM 283 CB ILE A 18 3.027 6.243 2.087 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.643 6.930 0.774 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.802 5.592 2.720 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.879 6.037 -0.178 1.00 0.00 C ATOM 0 H ILE A 18 5.623 7.053 2.272 1.00 0.00 H new ATOM 0 HA ILE A 18 3.024 8.140 3.123 1.00 0.00 H new ATOM 0 HB ILE A 18 3.757 5.461 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.039 7.809 0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.549 7.282 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.368 4.877 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.096 5.074 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.065 6.359 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.641 6.592 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.489 5.170 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.956 5.705 0.296 1.00 0.00 H new ATOM 298 N GLU A 19 2.884 7.063 5.339 1.00 0.00 N ATOM 299 CA GLU A 19 2.795 6.504 6.684 1.00 0.00 C ATOM 300 C GLU A 19 1.743 5.396 6.726 1.00 0.00 C ATOM 301 O GLU A 19 0.597 5.615 6.324 1.00 0.00 O ATOM 302 CB GLU A 19 2.414 7.599 7.682 1.00 0.00 C ATOM 303 CG GLU A 19 3.389 8.762 7.734 1.00 0.00 C ATOM 304 CD GLU A 19 2.954 9.833 8.712 1.00 0.00 C ATOM 305 OE1 GLU A 19 3.320 9.745 9.902 1.00 0.00 O ATOM 306 OE2 GLU A 19 2.237 10.765 8.297 1.00 0.00 O ATOM 0 H GLU A 19 2.198 7.793 5.147 1.00 0.00 H new ATOM 0 HA GLU A 19 3.767 6.089 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.425 7.980 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.338 7.158 8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.375 8.394 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.484 9.198 6.740 1.00 0.00 H new ATOM 313 N ILE A 20 2.119 4.214 7.206 1.00 0.00 N ATOM 314 CA ILE A 20 1.195 3.079 7.252 1.00 0.00 C ATOM 315 C ILE A 20 1.406 2.224 8.495 1.00 0.00 C ATOM 316 O ILE A 20 2.408 2.358 9.194 1.00 0.00 O ATOM 317 CB ILE A 20 1.336 2.168 6.015 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.806 1.817 5.776 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.719 2.817 4.786 1.00 0.00 C ATOM 320 CD1 ILE A 20 3.021 0.876 4.615 1.00 0.00 C ATOM 0 H ILE A 20 3.052 4.015 7.568 1.00 0.00 H new ATOM 0 HA ILE A 20 0.197 3.516 7.272 1.00 0.00 H new ATOM 0 HB ILE A 20 0.792 1.243 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.366 2.735 5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.215 1.365 6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.832 2.154 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.340 3.001 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.222 3.762 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.086 0.671 4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.489 -0.057 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.643 1.334 3.701 1.00 0.00 H new ATOM 332 N GLY A 21 0.446 1.347 8.755 1.00 0.00 N ATOM 333 CA GLY A 21 0.562 0.406 9.850 1.00 0.00 C ATOM 334 C GLY A 21 0.544 -1.029 9.361 1.00 0.00 C ATOM 335 O GLY A 21 0.195 -1.948 10.107 1.00 0.00 O ATOM 0 H GLY A 21 -0.419 1.271 8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.488 0.593 10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.257 0.562 10.552 1.00 0.00 H new ATOM 339 N VAL A 22 0.919 -1.215 8.101 1.00 0.00 N ATOM 340 CA VAL A 22 0.960 -2.536 7.488 1.00 0.00 C ATOM 341 C VAL A 22 2.372 -2.847 7.008 1.00 0.00 C ATOM 342 O VAL A 22 3.224 -1.960 6.969 1.00 0.00 O ATOM 343 CB VAL A 22 -0.022 -2.654 6.300 1.00 0.00 C ATOM 344 CG1 VAL A 22 -1.458 -2.470 6.767 1.00 0.00 C ATOM 345 CG2 VAL A 22 0.317 -1.649 5.209 1.00 0.00 C ATOM 0 H VAL A 22 1.202 -0.458 7.479 1.00 0.00 H new ATOM 0 HA VAL A 22 0.657 -3.255 8.249 1.00 0.00 H new ATOM 0 HB VAL A 22 0.078 -3.655 5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.132 -2.557 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.702 -3.236 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.570 -1.485 7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.389 -1.754 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.256 -0.639 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.328 -1.834 4.846 1.00 0.00 H new ATOM 355 N LYS A 23 2.613 -4.099 6.645 1.00 0.00 N ATOM 356 CA LYS A 23 3.944 -4.530 6.244 1.00 0.00 C ATOM 357 C LYS A 23 3.971 -5.029 4.804 1.00 0.00 C ATOM 358 O LYS A 23 4.816 -4.610 4.015 1.00 0.00 O ATOM 359 CB LYS A 23 4.445 -5.625 7.180 1.00 0.00 C ATOM 360 CG LYS A 23 4.704 -5.145 8.597 1.00 0.00 C ATOM 361 CD LYS A 23 5.177 -6.286 9.473 1.00 0.00 C ATOM 362 CE LYS A 23 5.641 -5.799 10.835 1.00 0.00 C ATOM 363 NZ LYS A 23 6.142 -6.918 11.674 1.00 0.00 N ATOM 0 H LYS A 23 1.905 -4.833 6.620 1.00 0.00 H new ATOM 0 HA LYS A 23 4.602 -3.663 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.712 -6.431 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.365 -6.045 6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.454 -4.354 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.793 -4.715 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.368 -7.005 9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.994 -6.810 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.430 -5.057 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.816 -5.302 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.450 -6.549 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.382 -7.613 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.945 -7.376 11.198 1.00 0.00 H new ATOM 377 N GLU A 24 3.063 -5.932 4.467 1.00 0.00 N ATOM 378 CA GLU A 24 3.016 -6.495 3.124 1.00 0.00 C ATOM 379 C GLU A 24 1.922 -5.828 2.300 1.00 0.00 C ATOM 380 O GLU A 24 0.763 -5.770 2.710 1.00 0.00 O ATOM 381 CB GLU A 24 2.814 -8.023 3.159 1.00 0.00 C ATOM 382 CG GLU A 24 1.545 -8.494 3.866 1.00 0.00 C ATOM 383 CD GLU A 24 1.593 -8.314 5.371 1.00 0.00 C ATOM 384 OE1 GLU A 24 1.198 -7.238 5.857 1.00 0.00 O ATOM 385 OE2 GLU A 24 2.027 -9.250 6.073 1.00 0.00 O ATOM 0 H GLU A 24 2.350 -6.291 5.102 1.00 0.00 H new ATOM 0 HA GLU A 24 3.977 -6.299 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.800 -8.395 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.675 -8.476 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.691 -7.945 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.381 -9.547 3.638 1.00 0.00 H new ATOM 392 N PHE A 25 2.304 -5.311 1.142 1.00 0.00 N ATOM 393 CA PHE A 25 1.375 -4.621 0.261 1.00 0.00 C ATOM 394 C PHE A 25 2.008 -4.426 -1.108 1.00 0.00 C ATOM 395 O PHE A 25 3.093 -4.944 -1.379 1.00 0.00 O ATOM 396 CB PHE A 25 0.986 -3.264 0.860 1.00 0.00 C ATOM 397 CG PHE A 25 2.157 -2.353 1.105 1.00 0.00 C ATOM 398 CD1 PHE A 25 2.891 -2.445 2.276 1.00 0.00 C ATOM 399 CD2 PHE A 25 2.522 -1.402 0.164 1.00 0.00 C ATOM 400 CE1 PHE A 25 3.966 -1.613 2.503 1.00 0.00 C ATOM 401 CE2 PHE A 25 3.596 -0.567 0.388 1.00 0.00 C ATOM 402 CZ PHE A 25 4.317 -0.672 1.560 1.00 0.00 C ATOM 0 H PHE A 25 3.260 -5.357 0.789 1.00 0.00 H new ATOM 0 HA PHE A 25 0.475 -5.226 0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.285 -2.768 0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.462 -3.429 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.617 -3.178 3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.959 -1.315 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.532 -1.699 3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.873 0.168 -0.353 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.157 -0.016 1.738 1.00 0.00 H new ATOM 412 N MET A 26 1.341 -3.676 -1.969 1.00 0.00 N ATOM 413 CA MET A 26 1.888 -3.384 -3.277 1.00 0.00 C ATOM 414 C MET A 26 1.810 -1.893 -3.567 1.00 0.00 C ATOM 415 O MET A 26 0.753 -1.277 -3.431 1.00 0.00 O ATOM 416 CB MET A 26 1.158 -4.172 -4.365 1.00 0.00 C ATOM 417 CG MET A 26 1.859 -4.120 -5.712 1.00 0.00 C ATOM 418 SD MET A 26 1.024 -5.102 -6.971 1.00 0.00 S ATOM 419 CE MET A 26 2.232 -5.040 -8.292 1.00 0.00 C ATOM 0 H MET A 26 0.427 -3.262 -1.785 1.00 0.00 H new ATOM 0 HA MET A 26 2.935 -3.688 -3.279 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.064 -5.212 -4.051 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.147 -3.779 -4.473 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.919 -3.084 -6.046 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.882 -4.478 -5.598 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.848 -5.574 -9.161 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.425 -4.001 -8.560 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.159 -5.507 -7.960 1.00 0.00 H new ATOM 429 N CYS A 27 2.949 -1.328 -3.941 1.00 0.00 N ATOM 430 CA CYS A 27 3.045 0.067 -4.340 1.00 0.00 C ATOM 431 C CYS A 27 2.153 0.336 -5.543 1.00 0.00 C ATOM 432 O CYS A 27 2.102 -0.467 -6.477 1.00 0.00 O ATOM 433 CB CYS A 27 4.509 0.401 -4.672 1.00 0.00 C ATOM 434 SG CYS A 27 4.756 1.909 -5.653 1.00 0.00 S ATOM 0 H CYS A 27 3.837 -1.828 -3.976 1.00 0.00 H new ATOM 0 HA CYS A 27 2.709 0.701 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.063 0.500 -3.738 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.943 -0.440 -5.213 1.00 0.00 H new ATOM 439 N VAL A 28 1.448 1.456 -5.514 1.00 0.00 N ATOM 440 CA VAL A 28 0.579 1.843 -6.612 1.00 0.00 C ATOM 441 C VAL A 28 1.097 3.125 -7.249 1.00 0.00 C ATOM 442 O VAL A 28 1.622 3.998 -6.560 1.00 0.00 O ATOM 443 CB VAL A 28 -0.878 2.044 -6.129 1.00 0.00 C ATOM 444 CG1 VAL A 28 -1.796 2.403 -7.284 1.00 0.00 C ATOM 445 CG2 VAL A 28 -1.382 0.796 -5.420 1.00 0.00 C ATOM 0 H VAL A 28 1.462 2.116 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 28 0.582 1.041 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.884 2.875 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.812 2.538 -6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.453 3.328 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.783 1.601 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.408 0.956 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.351 -0.050 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.749 0.587 -4.557 1.00 0.00 H new ATOM 455 N GLY A 29 0.997 3.213 -8.564 1.00 0.00 N ATOM 456 CA GLY A 29 1.415 4.413 -9.253 1.00 0.00 C ATOM 457 C GLY A 29 2.013 4.118 -10.609 1.00 0.00 C ATOM 458 O GLY A 29 2.641 3.078 -10.803 1.00 0.00 O ATOM 0 H GLY A 29 0.634 2.475 -9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.559 5.077 -9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.147 4.943 -8.643 1.00 0.00 H new ATOM 462 N ALA A 30 1.815 5.031 -11.545 1.00 0.00 N ATOM 463 CA ALA A 30 2.331 4.872 -12.894 1.00 0.00 C ATOM 464 C ALA A 30 3.740 5.437 -13.000 1.00 0.00 C ATOM 465 O ALA A 30 4.142 6.285 -12.200 1.00 0.00 O ATOM 466 CB ALA A 30 1.411 5.556 -13.894 1.00 0.00 C ATOM 0 H ALA A 30 1.297 5.896 -11.393 1.00 0.00 H new ATOM 0 HA ALA A 30 2.370 3.807 -13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.809 5.429 -14.901 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.418 5.111 -13.838 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.346 6.619 -13.661 1.00 0.00 H new ATOM 472 N THR A 31 4.500 4.943 -13.966 1.00 0.00 N ATOM 473 CA THR A 31 5.834 5.461 -14.228 1.00 0.00 C ATOM 474 C THR A 31 6.202 5.232 -15.689 1.00 0.00 C ATOM 475 O THR A 31 6.027 6.117 -16.523 1.00 0.00 O ATOM 476 CB THR A 31 6.896 4.807 -13.320 1.00 0.00 C ATOM 477 OG1 THR A 31 6.404 4.721 -11.975 1.00 0.00 O ATOM 478 CG2 THR A 31 8.187 5.614 -13.331 1.00 0.00 C ATOM 0 H THR A 31 4.215 4.182 -14.583 1.00 0.00 H new ATOM 0 HA THR A 31 5.819 6.529 -14.010 1.00 0.00 H new ATOM 0 HB THR A 31 7.101 3.807 -13.702 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.158 4.628 -11.356 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.921 5.134 -12.684 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.577 5.663 -14.348 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.989 6.623 -12.969 1.00 0.00 H new ATOM 486 N GLN A 32 6.684 4.030 -15.993 1.00 0.00 N ATOM 487 CA GLN A 32 7.020 3.661 -17.364 1.00 0.00 C ATOM 488 C GLN A 32 6.585 2.222 -17.667 1.00 0.00 C ATOM 489 O GLN A 32 5.818 2.000 -18.600 1.00 0.00 O ATOM 490 CB GLN A 32 8.521 3.828 -17.652 1.00 0.00 C ATOM 491 CG GLN A 32 9.023 5.257 -17.541 1.00 0.00 C ATOM 492 CD GLN A 32 10.428 5.416 -18.085 1.00 0.00 C ATOM 493 OE1 GLN A 32 11.415 5.266 -17.361 1.00 0.00 O ATOM 494 NE2 GLN A 32 10.529 5.706 -19.370 1.00 0.00 N ATOM 0 H GLN A 32 6.851 3.294 -15.307 1.00 0.00 H new ATOM 0 HA GLN A 32 6.475 4.341 -18.018 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.084 3.203 -16.959 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.730 3.459 -18.656 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.349 5.920 -18.083 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.003 5.567 -16.496 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.687 5.822 -19.934 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.449 5.814 -19.798 1.00 0.00 H new ATOM 503 N PRO A 33 7.069 1.212 -16.906 1.00 0.00 N ATOM 504 CA PRO A 33 6.711 -0.185 -17.149 1.00 0.00 C ATOM 505 C PRO A 33 5.341 -0.541 -16.579 1.00 0.00 C ATOM 506 O PRO A 33 4.441 -0.972 -17.301 1.00 0.00 O ATOM 507 CB PRO A 33 7.810 -0.981 -16.418 1.00 0.00 C ATOM 508 CG PRO A 33 8.766 0.030 -15.870 1.00 0.00 C ATOM 509 CD PRO A 33 8.007 1.320 -15.785 1.00 0.00 C ATOM 0 HA PRO A 33 6.648 -0.401 -18.215 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.384 -1.587 -15.618 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.315 -1.664 -17.101 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.132 -0.272 -14.889 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.637 0.133 -16.517 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.489 1.424 -14.831 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.663 2.184 -15.887 1.00 0.00 H new ATOM 517 N PHE A 34 5.193 -0.350 -15.275 1.00 0.00 N ATOM 518 CA PHE A 34 3.971 -0.717 -14.575 1.00 0.00 C ATOM 519 C PHE A 34 2.889 0.335 -14.781 1.00 0.00 C ATOM 520 O PHE A 34 3.146 1.535 -14.658 1.00 0.00 O ATOM 521 CB PHE A 34 4.250 -0.898 -13.083 1.00 0.00 C ATOM 522 CG PHE A 34 5.321 -1.908 -12.797 1.00 0.00 C ATOM 523 CD1 PHE A 34 5.034 -3.263 -12.801 1.00 0.00 C ATOM 524 CD2 PHE A 34 6.618 -1.502 -12.526 1.00 0.00 C ATOM 525 CE1 PHE A 34 6.021 -4.194 -12.542 1.00 0.00 C ATOM 526 CE2 PHE A 34 7.608 -2.427 -12.267 1.00 0.00 C ATOM 527 CZ PHE A 34 7.309 -3.776 -12.275 1.00 0.00 C ATOM 0 H PHE A 34 5.911 0.060 -14.677 1.00 0.00 H new ATOM 0 HA PHE A 34 3.614 -1.661 -14.987 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.542 0.062 -12.656 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.331 -1.202 -12.583 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.028 -3.595 -13.009 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.857 -0.449 -12.517 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.785 -5.248 -12.548 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.615 -2.097 -12.058 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.082 -4.502 -12.073 1.00 0.00 H new ATOM 537 N ASP A 35 1.684 -0.128 -15.094 1.00 0.00 N ATOM 538 CA ASP A 35 0.551 0.757 -15.345 1.00 0.00 C ATOM 539 C ASP A 35 0.078 1.404 -14.053 1.00 0.00 C ATOM 540 O ASP A 35 0.092 2.623 -13.914 1.00 0.00 O ATOM 541 CB ASP A 35 -0.610 -0.014 -15.978 1.00 0.00 C ATOM 542 CG ASP A 35 -0.226 -0.679 -17.281 1.00 0.00 C ATOM 543 OD1 ASP A 35 -0.271 -0.011 -18.333 1.00 0.00 O ATOM 544 OD2 ASP A 35 0.116 -1.882 -17.262 1.00 0.00 O ATOM 0 H ASP A 35 1.465 -1.120 -15.181 1.00 0.00 H new ATOM 0 HA ASP A 35 0.883 1.533 -16.034 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.962 -0.772 -15.278 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.441 0.669 -16.154 1.00 0.00 H new ATOM 549 N HIS A 36 -0.357 0.576 -13.112 1.00 0.00 N ATOM 550 CA HIS A 36 -0.803 1.059 -11.807 1.00 0.00 C ATOM 551 C HIS A 36 -0.245 0.177 -10.686 1.00 0.00 C ATOM 552 O HIS A 36 0.345 0.696 -9.739 1.00 0.00 O ATOM 553 CB HIS A 36 -2.335 1.143 -11.726 1.00 0.00 C ATOM 554 CG HIS A 36 -2.937 2.121 -12.691 1.00 0.00 C ATOM 555 ND1 HIS A 36 -2.966 3.479 -12.466 1.00 0.00 N ATOM 556 CD2 HIS A 36 -3.520 1.930 -13.897 1.00 0.00 C ATOM 557 CE1 HIS A 36 -3.539 4.081 -13.491 1.00 0.00 C ATOM 558 NE2 HIS A 36 -3.885 3.165 -14.377 1.00 0.00 N ATOM 0 H HIS A 36 -0.411 -0.436 -13.226 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.414 2.069 -11.678 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.755 0.155 -11.915 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.622 1.423 -10.712 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.671 0.982 -14.391 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.698 5.145 -13.589 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.346 3.344 -15.269 1.00 0.00 H new ATOM 567 N PRO A 37 -0.422 -1.167 -10.756 1.00 0.00 N ATOM 568 CA PRO A 37 0.252 -2.081 -9.828 1.00 0.00 C ATOM 569 C PRO A 37 1.762 -2.012 -10.022 1.00 0.00 C ATOM 570 O PRO A 37 2.289 -2.476 -11.032 1.00 0.00 O ATOM 571 CB PRO A 37 -0.290 -3.466 -10.207 1.00 0.00 C ATOM 572 CG PRO A 37 -0.812 -3.315 -11.593 1.00 0.00 C ATOM 573 CD PRO A 37 -1.284 -1.895 -11.709 1.00 0.00 C ATOM 0 HA PRO A 37 0.067 -1.838 -8.782 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.494 -4.222 -10.162 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.077 -3.782 -9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.035 -3.528 -12.327 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.628 -4.013 -11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.170 -1.516 -12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.339 -1.800 -11.450 1.00 0.00 H new ATOM 581 N HIS A 38 2.449 -1.409 -9.065 1.00 0.00 N ATOM 582 CA HIS A 38 3.837 -1.033 -9.256 1.00 0.00 C ATOM 583 C HIS A 38 4.809 -2.075 -8.709 1.00 0.00 C ATOM 584 O HIS A 38 5.272 -2.944 -9.436 1.00 0.00 O ATOM 585 CB HIS A 38 4.089 0.327 -8.607 1.00 0.00 C ATOM 586 CG HIS A 38 5.123 1.147 -9.306 1.00 0.00 C ATOM 587 ND1 HIS A 38 6.221 1.704 -8.665 1.00 0.00 N ATOM 588 CD2 HIS A 38 5.207 1.531 -10.602 1.00 0.00 C ATOM 589 CE1 HIS A 38 6.922 2.391 -9.564 1.00 0.00 C ATOM 590 NE2 HIS A 38 6.329 2.305 -10.734 1.00 0.00 N ATOM 0 H HIS A 38 2.067 -1.170 -8.150 1.00 0.00 H new ATOM 0 HA HIS A 38 4.019 -0.972 -10.329 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.153 0.885 -8.580 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.398 0.174 -7.573 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.514 1.273 -11.389 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.834 2.934 -9.364 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.651 2.742 -11.597 1.00 0.00 H new ATOM 598 N ILE A 39 5.097 -1.987 -7.424 1.00 0.00 N ATOM 599 CA ILE A 39 6.150 -2.802 -6.812 1.00 0.00 C ATOM 600 C ILE A 39 5.650 -3.455 -5.527 1.00 0.00 C ATOM 601 O ILE A 39 5.033 -2.790 -4.697 1.00 0.00 O ATOM 602 CB ILE A 39 7.400 -1.941 -6.480 1.00 0.00 C ATOM 603 CG1 ILE A 39 7.916 -1.207 -7.724 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.507 -2.801 -5.883 1.00 0.00 C ATOM 605 CD1 ILE A 39 8.455 -2.123 -8.802 1.00 0.00 C ATOM 0 H ILE A 39 4.620 -1.360 -6.776 1.00 0.00 H new ATOM 0 HA ILE A 39 6.423 -3.573 -7.533 1.00 0.00 H new ATOM 0 HB ILE A 39 7.099 -1.196 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.106 -0.609 -8.142 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.702 -0.514 -7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.372 -2.177 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.150 -3.269 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.793 -3.574 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.800 -1.527 -9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.287 -2.703 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.667 -2.799 -9.133 1.00 0.00 H new ATOM 617 N PHE A 40 5.911 -4.746 -5.365 1.00 0.00 N ATOM 618 CA PHE A 40 5.554 -5.449 -4.135 1.00 0.00 C ATOM 619 C PHE A 40 6.490 -5.042 -2.999 1.00 0.00 C ATOM 620 O PHE A 40 7.705 -5.232 -3.084 1.00 0.00 O ATOM 621 CB PHE A 40 5.619 -6.966 -4.332 1.00 0.00 C ATOM 622 CG PHE A 40 4.584 -7.510 -5.279 1.00 0.00 C ATOM 623 CD1 PHE A 40 3.313 -7.828 -4.827 1.00 0.00 C ATOM 624 CD2 PHE A 40 4.885 -7.713 -6.618 1.00 0.00 C ATOM 625 CE1 PHE A 40 2.361 -8.335 -5.691 1.00 0.00 C ATOM 626 CE2 PHE A 40 3.937 -8.221 -7.486 1.00 0.00 C ATOM 627 CZ PHE A 40 2.673 -8.532 -7.022 1.00 0.00 C ATOM 0 H PHE A 40 6.368 -5.328 -6.067 1.00 0.00 H new ATOM 0 HA PHE A 40 4.532 -5.173 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.609 -7.231 -4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.501 -7.452 -3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.064 -7.678 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.871 -7.471 -6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.374 -8.577 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.184 -8.375 -8.526 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.931 -8.928 -7.699 1.00 0.00 H new ATOM 637 N ILE A 41 5.925 -4.487 -1.936 1.00 0.00 N ATOM 638 CA ILE A 41 6.719 -4.026 -0.806 1.00 0.00 C ATOM 639 C ILE A 41 6.387 -4.842 0.438 1.00 0.00 C ATOM 640 O ILE A 41 5.219 -5.105 0.725 1.00 0.00 O ATOM 641 CB ILE A 41 6.486 -2.524 -0.514 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.738 -1.675 -1.767 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.383 -2.054 0.625 1.00 0.00 C ATOM 644 CD1 ILE A 41 8.169 -1.716 -2.265 1.00 0.00 C ATOM 0 H ILE A 41 4.920 -4.345 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 41 7.768 -4.162 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 41 5.445 -2.399 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.077 -2.017 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.469 -0.641 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.205 -0.996 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.159 -2.627 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.427 -2.202 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.263 -1.091 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.836 -1.345 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.438 -2.742 -2.514 1.00 0.00 H new ATOM 656 N ASP A 42 7.420 -5.258 1.156 1.00 0.00 N ATOM 657 CA ASP A 42 7.248 -6.063 2.358 1.00 0.00 C ATOM 658 C ASP A 42 8.132 -5.539 3.481 1.00 0.00 C ATOM 659 O ASP A 42 9.167 -4.919 3.231 1.00 0.00 O ATOM 660 CB ASP A 42 7.583 -7.528 2.074 1.00 0.00 C ATOM 661 CG ASP A 42 9.037 -7.737 1.701 1.00 0.00 C ATOM 662 OD1 ASP A 42 9.410 -7.460 0.537 1.00 0.00 O ATOM 663 OD2 ASP A 42 9.813 -8.197 2.563 1.00 0.00 O ATOM 0 H ASP A 42 8.392 -5.050 0.926 1.00 0.00 H new ATOM 0 HA ASP A 42 6.205 -5.994 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.349 -8.127 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.949 -7.890 1.264 1.00 0.00 H new ATOM 668 N MET A 43 7.724 -5.782 4.717 1.00 0.00 N ATOM 669 CA MET A 43 8.496 -5.345 5.872 1.00 0.00 C ATOM 670 C MET A 43 8.719 -6.499 6.840 1.00 0.00 C ATOM 671 O MET A 43 7.764 -7.075 7.362 1.00 0.00 O ATOM 672 CB MET A 43 7.789 -4.201 6.603 1.00 0.00 C ATOM 673 CG MET A 43 7.513 -2.984 5.737 1.00 0.00 C ATOM 674 SD MET A 43 6.706 -1.664 6.656 1.00 0.00 S ATOM 675 CE MET A 43 6.385 -0.498 5.340 1.00 0.00 C ATOM 0 H MET A 43 6.863 -6.279 4.947 1.00 0.00 H new ATOM 0 HA MET A 43 9.460 -4.991 5.507 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.845 -4.570 7.003 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.399 -3.897 7.454 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.451 -2.615 5.323 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.885 -3.274 4.895 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.563 0.158 5.627 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.279 0.099 5.157 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.117 -1.039 4.432 1.00 0.00 H new ATOM 685 N GLY A 44 9.976 -6.845 7.061 1.00 0.00 N ATOM 686 CA GLY A 44 10.296 -7.864 8.037 1.00 0.00 C ATOM 687 C GLY A 44 11.001 -7.284 9.245 1.00 0.00 C ATOM 688 O GLY A 44 10.502 -7.369 10.367 1.00 0.00 O ATOM 0 H GLY A 44 10.780 -6.439 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.381 -8.363 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.929 -8.623 7.576 1.00 0.00 H new ATOM 692 N SER A 45 12.154 -6.680 9.007 1.00 0.00 N ATOM 693 CA SER A 45 12.955 -6.105 10.077 1.00 0.00 C ATOM 694 C SER A 45 13.188 -4.614 9.845 1.00 0.00 C ATOM 695 O SER A 45 13.971 -3.974 10.547 1.00 0.00 O ATOM 696 CB SER A 45 14.290 -6.842 10.153 1.00 0.00 C ATOM 697 OG SER A 45 14.864 -6.976 8.860 1.00 0.00 O ATOM 0 H SER A 45 12.559 -6.575 8.077 1.00 0.00 H new ATOM 0 HA SER A 45 12.419 -6.216 11.019 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.974 -6.299 10.806 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.142 -7.827 10.595 1.00 0.00 H new ATOM 0 HG SER A 45 15.719 -7.449 8.929 1.00 0.00 H new ATOM 703 N THR A 46 12.503 -4.068 8.857 1.00 0.00 N ATOM 704 CA THR A 46 12.673 -2.675 8.495 1.00 0.00 C ATOM 705 C THR A 46 11.591 -1.802 9.116 1.00 0.00 C ATOM 706 O THR A 46 10.404 -2.125 9.045 1.00 0.00 O ATOM 707 CB THR A 46 12.645 -2.508 6.967 1.00 0.00 C ATOM 708 OG1 THR A 46 11.498 -3.184 6.432 1.00 0.00 O ATOM 709 CG2 THR A 46 13.912 -3.066 6.338 1.00 0.00 C ATOM 0 H THR A 46 11.821 -4.571 8.289 1.00 0.00 H new ATOM 0 HA THR A 46 13.641 -2.355 8.880 1.00 0.00 H new ATOM 0 HB THR A 46 12.587 -1.445 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.794 -3.222 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.869 -2.936 5.257 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.778 -2.535 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.998 -4.127 6.573 1.00 0.00 H new ATOM 717 N ASP A 47 12.012 -0.702 9.720 1.00 0.00 N ATOM 718 CA ASP A 47 11.089 0.267 10.297 1.00 0.00 C ATOM 719 C ASP A 47 10.498 1.124 9.188 1.00 0.00 C ATOM 720 O ASP A 47 9.356 1.577 9.260 1.00 0.00 O ATOM 721 CB ASP A 47 11.827 1.146 11.313 1.00 0.00 C ATOM 722 CG ASP A 47 10.934 2.167 11.997 1.00 0.00 C ATOM 723 OD1 ASP A 47 10.259 1.804 12.985 1.00 0.00 O ATOM 724 OD2 ASP A 47 10.947 3.352 11.591 1.00 0.00 O ATOM 0 H ASP A 47 12.996 -0.455 9.825 1.00 0.00 H new ATOM 0 HA ASP A 47 10.283 -0.257 10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.281 0.508 12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.639 1.668 10.807 1.00 0.00 H new ATOM 729 N GLU A 48 11.290 1.322 8.146 1.00 0.00 N ATOM 730 CA GLU A 48 10.866 2.096 6.996 1.00 0.00 C ATOM 731 C GLU A 48 11.228 1.374 5.701 1.00 0.00 C ATOM 732 O GLU A 48 12.373 0.954 5.505 1.00 0.00 O ATOM 733 CB GLU A 48 11.508 3.485 7.025 1.00 0.00 C ATOM 734 CG GLU A 48 13.023 3.453 7.135 1.00 0.00 C ATOM 735 CD GLU A 48 13.645 4.830 7.078 1.00 0.00 C ATOM 736 OE1 GLU A 48 13.722 5.498 8.130 1.00 0.00 O ATOM 737 OE2 GLU A 48 14.078 5.246 5.986 1.00 0.00 O ATOM 0 H GLU A 48 12.238 0.952 8.076 1.00 0.00 H new ATOM 0 HA GLU A 48 9.783 2.209 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.229 4.024 6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.103 4.046 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.304 2.971 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.428 2.843 6.328 1.00 0.00 H new ATOM 744 N LYS A 49 10.243 1.209 4.834 1.00 0.00 N ATOM 745 CA LYS A 49 10.469 0.626 3.522 1.00 0.00 C ATOM 746 C LYS A 49 10.076 1.608 2.434 1.00 0.00 C ATOM 747 O LYS A 49 8.902 1.910 2.245 1.00 0.00 O ATOM 748 CB LYS A 49 9.685 -0.677 3.352 1.00 0.00 C ATOM 749 CG LYS A 49 10.496 -1.925 3.657 1.00 0.00 C ATOM 750 CD LYS A 49 11.701 -2.038 2.733 1.00 0.00 C ATOM 751 CE LYS A 49 12.494 -3.311 2.988 1.00 0.00 C ATOM 752 NZ LYS A 49 11.739 -4.532 2.599 1.00 0.00 N ATOM 0 H LYS A 49 9.275 1.472 5.016 1.00 0.00 H new ATOM 0 HA LYS A 49 11.532 0.400 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.813 -0.653 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.315 -0.737 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.831 -1.900 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.866 -2.807 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.366 -2.021 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.349 -1.173 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.430 -3.272 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.755 -3.369 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.343 -5.369 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.892 -4.621 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.453 -4.460 1.602 1.00 0.00 H new ATOM 766 N ILE A 50 11.062 2.116 1.727 1.00 0.00 N ATOM 767 CA ILE A 50 10.809 3.025 0.630 1.00 0.00 C ATOM 768 C ILE A 50 10.694 2.239 -0.673 1.00 0.00 C ATOM 769 O ILE A 50 11.196 1.122 -0.776 1.00 0.00 O ATOM 770 CB ILE A 50 11.921 4.099 0.517 1.00 0.00 C ATOM 771 CG1 ILE A 50 11.548 5.168 -0.517 1.00 0.00 C ATOM 772 CG2 ILE A 50 13.254 3.451 0.159 1.00 0.00 C ATOM 773 CD1 ILE A 50 12.549 6.301 -0.617 1.00 0.00 C ATOM 0 H ILE A 50 12.048 1.915 1.893 1.00 0.00 H new ATOM 0 HA ILE A 50 9.870 3.543 0.824 1.00 0.00 H new ATOM 0 HB ILE A 50 12.021 4.587 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.450 4.696 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.572 5.580 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.023 4.219 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.530 2.735 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.162 2.934 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.215 7.016 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.630 6.801 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.522 5.902 -0.902 1.00 0.00 H new ATOM 785 N CYS A 51 10.013 2.812 -1.651 1.00 0.00 N ATOM 786 CA CYS A 51 9.948 2.226 -2.976 1.00 0.00 C ATOM 787 C CYS A 51 11.049 2.854 -3.823 1.00 0.00 C ATOM 788 O CYS A 51 10.908 3.987 -4.277 1.00 0.00 O ATOM 789 CB CYS A 51 8.559 2.480 -3.597 1.00 0.00 C ATOM 790 SG CYS A 51 8.317 1.834 -5.282 1.00 0.00 S ATOM 0 H CYS A 51 9.496 3.686 -1.550 1.00 0.00 H new ATOM 0 HA CYS A 51 10.095 1.147 -2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.804 2.038 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.378 3.555 -3.610 1.00 0.00 H new ATOM 795 N PRO A 52 12.178 2.135 -4.008 1.00 0.00 N ATOM 796 CA PRO A 52 13.362 2.658 -4.709 1.00 0.00 C ATOM 797 C PRO A 52 13.002 3.209 -6.080 1.00 0.00 C ATOM 798 O PRO A 52 13.524 4.232 -6.520 1.00 0.00 O ATOM 799 CB PRO A 52 14.288 1.437 -4.843 1.00 0.00 C ATOM 800 CG PRO A 52 13.437 0.255 -4.511 1.00 0.00 C ATOM 801 CD PRO A 52 12.391 0.750 -3.560 1.00 0.00 C ATOM 0 HA PRO A 52 13.824 3.485 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.692 1.359 -5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.138 1.512 -4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.981 -0.162 -5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 52 14.032 -0.538 -4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.477 0.160 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.731 0.707 -2.525 1.00 0.00 H new ATOM 809 N TYR A 53 12.093 2.524 -6.742 1.00 0.00 N ATOM 810 CA TYR A 53 11.561 2.982 -8.004 1.00 0.00 C ATOM 811 C TYR A 53 10.248 3.719 -7.747 1.00 0.00 C ATOM 812 O TYR A 53 9.171 3.179 -8.004 1.00 0.00 O ATOM 813 CB TYR A 53 11.360 1.781 -8.938 1.00 0.00 C ATOM 814 CG TYR A 53 11.050 2.136 -10.376 1.00 0.00 C ATOM 815 CD1 TYR A 53 11.919 2.921 -11.125 1.00 0.00 C ATOM 816 CD2 TYR A 53 9.898 1.665 -10.988 1.00 0.00 C ATOM 817 CE1 TYR A 53 11.646 3.228 -12.445 1.00 0.00 C ATOM 818 CE2 TYR A 53 9.615 1.969 -12.306 1.00 0.00 C ATOM 819 CZ TYR A 53 10.492 2.750 -13.031 1.00 0.00 C ATOM 820 OH TYR A 53 10.213 3.050 -14.345 1.00 0.00 O ATOM 0 H TYR A 53 11.705 1.637 -6.420 1.00 0.00 H new ATOM 0 HA TYR A 53 12.255 3.670 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.261 1.168 -8.917 1.00 0.00 H new ATOM 0 HB3 TYR A 53 10.548 1.168 -8.547 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.822 3.297 -10.668 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.211 1.051 -10.425 1.00 0.00 H new ATOM 0 HE1 TYR A 53 12.332 3.838 -13.014 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.712 1.597 -12.767 1.00 0.00 H new ATOM 0 HH TYR A 53 10.599 2.362 -14.927 1.00 0.00 H new ATOM 830 N CYS A 54 10.363 4.923 -7.162 1.00 0.00 N ATOM 831 CA CYS A 54 9.213 5.787 -6.826 1.00 0.00 C ATOM 832 C CYS A 54 9.609 6.909 -5.873 1.00 0.00 C ATOM 833 O CYS A 54 9.492 8.087 -6.207 1.00 0.00 O ATOM 834 CB CYS A 54 8.084 5.013 -6.139 1.00 0.00 C ATOM 835 SG CYS A 54 6.744 4.462 -7.223 1.00 0.00 S ATOM 0 H CYS A 54 11.263 5.329 -6.906 1.00 0.00 H new ATOM 0 HA CYS A 54 8.873 6.187 -7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.513 4.140 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.659 5.642 -5.357 1.00 0.00 H new ATOM 840 N SER A 55 10.098 6.508 -4.695 1.00 0.00 N ATOM 841 CA SER A 55 10.137 7.365 -3.512 1.00 0.00 C ATOM 842 C SER A 55 8.709 7.557 -2.997 1.00 0.00 C ATOM 843 O SER A 55 7.910 8.277 -3.591 1.00 0.00 O ATOM 844 CB SER A 55 10.824 8.709 -3.788 1.00 0.00 C ATOM 845 OG SER A 55 12.193 8.520 -4.113 1.00 0.00 O ATOM 0 H SER A 55 10.479 5.575 -4.538 1.00 0.00 H new ATOM 0 HA SER A 55 10.739 6.878 -2.745 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.318 9.219 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.739 9.352 -2.912 1.00 0.00 H new ATOM 0 HG SER A 55 12.611 9.389 -4.287 1.00 0.00 H new ATOM 851 N THR A 56 8.387 6.866 -1.905 1.00 0.00 N ATOM 852 CA THR A 56 7.040 6.782 -1.382 1.00 0.00 C ATOM 853 C THR A 56 7.171 6.227 0.024 1.00 0.00 C ATOM 854 O THR A 56 6.293 5.525 0.517 1.00 0.00 O ATOM 855 CB THR A 56 6.149 5.840 -2.226 1.00 0.00 C ATOM 856 OG1 THR A 56 6.528 5.887 -3.607 1.00 0.00 O ATOM 857 CG2 THR A 56 4.688 6.236 -2.106 1.00 0.00 C ATOM 0 H THR A 56 9.070 6.344 -1.356 1.00 0.00 H new ATOM 0 HA THR A 56 6.567 7.764 -1.403 1.00 0.00 H new ATOM 0 HB THR A 56 6.286 4.828 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.954 5.284 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.078 5.562 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.379 6.173 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.558 7.258 -2.462 1.00 0.00 H new ATOM 865 N LEU A 57 8.295 6.607 0.648 1.00 0.00 N ATOM 866 CA LEU A 57 8.825 5.982 1.864 1.00 0.00 C ATOM 867 C LEU A 57 7.721 5.544 2.815 1.00 0.00 C ATOM 868 O LEU A 57 7.137 6.361 3.522 1.00 0.00 O ATOM 869 CB LEU A 57 9.788 6.962 2.557 1.00 0.00 C ATOM 870 CG LEU A 57 10.737 6.361 3.604 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.930 7.280 3.810 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.029 6.140 4.934 1.00 0.00 C ATOM 0 H LEU A 57 8.874 7.377 0.311 1.00 0.00 H new ATOM 0 HA LEU A 57 9.363 5.078 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.390 7.449 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.196 7.740 3.039 1.00 0.00 H new ATOM 0 HG LEU A 57 11.076 5.394 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.599 6.847 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.464 7.399 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.584 8.254 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.729 5.714 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.657 7.093 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.193 5.455 4.792 1.00 0.00 H new ATOM 884 N TYR A 58 7.439 4.248 2.806 1.00 0.00 N ATOM 885 CA TYR A 58 6.413 3.679 3.656 1.00 0.00 C ATOM 886 C TYR A 58 7.020 3.338 5.007 1.00 0.00 C ATOM 887 O TYR A 58 7.769 2.371 5.128 1.00 0.00 O ATOM 888 CB TYR A 58 5.831 2.403 3.034 1.00 0.00 C ATOM 889 CG TYR A 58 5.416 2.530 1.583 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.135 2.937 1.236 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.304 2.215 0.560 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.753 3.035 -0.091 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.930 2.308 -0.766 1.00 0.00 C ATOM 894 CZ TYR A 58 4.654 2.717 -1.086 1.00 0.00 C ATOM 895 OH TYR A 58 4.276 2.809 -2.407 1.00 0.00 O ATOM 0 H TYR A 58 7.914 3.569 2.212 1.00 0.00 H new ATOM 0 HA TYR A 58 5.612 4.409 3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.571 1.607 3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.964 2.095 3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.426 3.181 2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.304 1.892 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.755 3.359 -0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.634 2.062 -1.547 1.00 0.00 H new ATOM 0 HH TYR A 58 5.022 2.536 -2.981 1.00 0.00 H new ATOM 905 N ARG A 59 6.731 4.134 6.015 1.00 0.00 N ATOM 906 CA ARG A 59 7.290 3.881 7.332 1.00 0.00 C ATOM 907 C ARG A 59 6.239 3.289 8.258 1.00 0.00 C ATOM 908 O ARG A 59 5.128 3.814 8.376 1.00 0.00 O ATOM 909 CB ARG A 59 7.882 5.155 7.936 1.00 0.00 C ATOM 910 CG ARG A 59 8.622 4.914 9.243 1.00 0.00 C ATOM 911 CD ARG A 59 9.328 6.166 9.726 1.00 0.00 C ATOM 912 NE ARG A 59 10.011 5.952 11.000 1.00 0.00 N ATOM 913 CZ ARG A 59 10.413 6.943 11.795 1.00 0.00 C ATOM 914 NH1 ARG A 59 10.270 8.205 11.412 1.00 0.00 N ATOM 915 NH2 ARG A 59 10.979 6.676 12.962 1.00 0.00 N ATOM 0 H ARG A 59 6.122 4.950 5.953 1.00 0.00 H new ATOM 0 HA ARG A 59 8.097 3.157 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.566 5.606 7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.081 5.874 8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.918 4.577 10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.351 4.115 9.107 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.051 6.487 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.603 6.972 9.834 1.00 0.00 H new ATOM 0 HE ARG A 59 10.190 4.993 11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.851 8.419 10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.579 8.961 12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.109 5.708 13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.285 7.438 13.567 1.00 0.00 H new ATOM 929 N TYR A 60 6.596 2.184 8.894 1.00 0.00 N ATOM 930 CA TYR A 60 5.728 1.539 9.860 1.00 0.00 C ATOM 931 C TYR A 60 6.026 2.084 11.250 1.00 0.00 C ATOM 932 O TYR A 60 6.950 1.635 11.930 1.00 0.00 O ATOM 933 CB TYR A 60 5.916 0.017 9.817 1.00 0.00 C ATOM 934 CG TYR A 60 5.196 -0.723 10.922 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.809 -0.763 10.975 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.911 -1.371 11.921 1.00 0.00 C ATOM 937 CE1 TYR A 60 3.156 -1.434 11.991 1.00 0.00 C ATOM 938 CE2 TYR A 60 5.267 -2.041 12.938 1.00 0.00 C ATOM 939 CZ TYR A 60 3.889 -2.068 12.970 1.00 0.00 C ATOM 940 OH TYR A 60 3.246 -2.735 13.986 1.00 0.00 O ATOM 0 H TYR A 60 7.490 1.713 8.755 1.00 0.00 H new ATOM 0 HA TYR A 60 4.689 1.754 9.612 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.564 -0.355 8.855 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.981 -0.209 9.876 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.232 -0.262 10.211 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.991 -1.349 11.900 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.077 -1.461 12.018 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.838 -2.542 13.706 1.00 0.00 H new ATOM 0 HH TYR A 60 3.910 -3.127 14.591 1.00 0.00 H new ATOM 950 N ASP A 61 5.259 3.083 11.651 1.00 0.00 N ATOM 951 CA ASP A 61 5.463 3.732 12.937 1.00 0.00 C ATOM 952 C ASP A 61 4.567 3.094 13.992 1.00 0.00 C ATOM 953 O ASP A 61 3.399 2.811 13.727 1.00 0.00 O ATOM 954 CB ASP A 61 5.161 5.228 12.817 1.00 0.00 C ATOM 955 CG ASP A 61 5.573 6.011 14.043 1.00 0.00 C ATOM 956 OD1 ASP A 61 4.794 6.061 15.016 1.00 0.00 O ATOM 957 OD2 ASP A 61 6.673 6.597 14.036 1.00 0.00 O ATOM 0 H ASP A 61 4.487 3.464 11.104 1.00 0.00 H new ATOM 0 HA ASP A 61 6.502 3.606 13.240 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.678 5.629 11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.093 5.366 12.646 1.00 0.00 H new ATOM 962 N PRO A 62 5.102 2.843 15.195 1.00 0.00 N ATOM 963 CA PRO A 62 4.349 2.216 16.292 1.00 0.00 C ATOM 964 C PRO A 62 3.138 3.038 16.741 1.00 0.00 C ATOM 965 O PRO A 62 2.224 2.510 17.374 1.00 0.00 O ATOM 966 CB PRO A 62 5.374 2.107 17.428 1.00 0.00 C ATOM 967 CG PRO A 62 6.454 3.072 17.078 1.00 0.00 C ATOM 968 CD PRO A 62 6.495 3.125 15.580 1.00 0.00 C ATOM 0 HA PRO A 62 3.931 1.258 15.983 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.923 2.353 18.389 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.764 1.093 17.509 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.248 4.057 17.497 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.413 2.748 17.483 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.823 4.100 15.220 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.184 2.386 15.170 1.00 0.00 H new ATOM 976 N SER A 63 3.128 4.323 16.411 1.00 0.00 N ATOM 977 CA SER A 63 2.014 5.188 16.769 1.00 0.00 C ATOM 978 C SER A 63 0.902 5.077 15.725 1.00 0.00 C ATOM 979 O SER A 63 -0.225 5.524 15.945 1.00 0.00 O ATOM 980 CB SER A 63 2.492 6.639 16.900 1.00 0.00 C ATOM 981 OG SER A 63 1.462 7.493 17.374 1.00 0.00 O ATOM 0 H SER A 63 3.877 4.787 15.897 1.00 0.00 H new ATOM 0 HA SER A 63 1.614 4.869 17.732 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.342 6.682 17.581 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.842 6.995 15.931 1.00 0.00 H new ATOM 0 HG SER A 63 0.591 7.144 17.091 1.00 0.00 H new ATOM 987 N LEU A 64 1.223 4.468 14.592 1.00 0.00 N ATOM 988 CA LEU A 64 0.242 4.250 13.541 1.00 0.00 C ATOM 989 C LEU A 64 -0.472 2.926 13.775 1.00 0.00 C ATOM 990 O LEU A 64 -0.104 2.169 14.674 1.00 0.00 O ATOM 991 CB LEU A 64 0.916 4.258 12.169 1.00 0.00 C ATOM 992 CG LEU A 64 1.641 5.557 11.814 1.00 0.00 C ATOM 993 CD1 LEU A 64 2.409 5.400 10.514 1.00 0.00 C ATOM 994 CD2 LEU A 64 0.654 6.711 11.712 1.00 0.00 C ATOM 0 H LEU A 64 2.156 4.116 14.378 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.489 5.058 13.565 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.632 3.437 12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.161 4.061 11.408 1.00 0.00 H new ATOM 0 HG LEU A 64 2.351 5.781 12.610 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.918 6.334 10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.144 4.602 10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.716 5.151 9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.189 7.626 11.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.081 6.494 10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.146 6.841 12.667 1.00 0.00 H new ATOM 1006 N SER A 65 -1.489 2.640 12.978 1.00 0.00 N ATOM 1007 CA SER A 65 -2.280 1.434 13.177 1.00 0.00 C ATOM 1008 C SER A 65 -2.864 0.933 11.857 1.00 0.00 C ATOM 1009 O SER A 65 -2.489 1.401 10.782 1.00 0.00 O ATOM 1010 CB SER A 65 -3.398 1.717 14.184 1.00 0.00 C ATOM 1011 OG SER A 65 -2.868 2.162 15.424 1.00 0.00 O ATOM 0 H SER A 65 -1.785 3.220 12.193 1.00 0.00 H new ATOM 0 HA SER A 65 -1.630 0.651 13.569 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.072 2.473 13.781 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.988 0.814 14.340 1.00 0.00 H new ATOM 0 HG SER A 65 -3.602 2.337 16.049 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.766 -0.033 11.950 1.00 0.00 N ATOM 1018 CA TYR A 66 -4.416 -0.603 10.777 1.00 0.00 C ATOM 1019 C TYR A 66 -5.589 0.280 10.357 1.00 0.00 C ATOM 1020 O TYR A 66 -5.871 0.440 9.171 1.00 0.00 O ATOM 1021 CB TYR A 66 -4.899 -2.020 11.107 1.00 0.00 C ATOM 1022 CG TYR A 66 -5.157 -2.909 9.906 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -4.114 -3.594 9.294 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -6.441 -3.088 9.402 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -4.340 -4.424 8.212 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -6.675 -3.922 8.322 1.00 0.00 C ATOM 1027 CZ TYR A 66 -5.622 -4.588 7.731 1.00 0.00 C ATOM 1028 OH TYR A 66 -5.850 -5.427 6.660 1.00 0.00 O ATOM 0 H TYR A 66 -4.067 -0.442 12.834 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.708 -0.653 9.949 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.156 -2.501 11.743 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.817 -1.947 11.689 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.109 -3.476 9.671 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.269 -2.568 9.861 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.516 -4.942 7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.678 -4.051 7.944 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.806 -5.432 6.446 1.00 0.00 H new ATOM 1038 N ASN A 67 -6.261 0.856 11.350 1.00 0.00 N ATOM 1039 CA ASN A 67 -7.406 1.735 11.108 1.00 0.00 C ATOM 1040 C ASN A 67 -6.947 3.153 10.755 1.00 0.00 C ATOM 1041 O ASN A 67 -7.589 3.846 9.965 1.00 0.00 O ATOM 1042 CB ASN A 67 -8.312 1.764 12.346 1.00 0.00 C ATOM 1043 CG ASN A 67 -9.581 2.578 12.146 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -9.612 3.781 12.413 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -10.645 1.925 11.696 1.00 0.00 N ATOM 0 H ASN A 67 -6.032 0.730 12.336 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.968 1.342 10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.583 0.742 12.613 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.753 2.176 13.186 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.527 2.419 11.560 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.581 0.929 11.486 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.834 3.583 11.342 1.00 0.00 N ATOM 1053 CA GLN A 68 -5.301 4.917 11.077 1.00 0.00 C ATOM 1054 C GLN A 68 -3.987 4.827 10.311 1.00 0.00 C ATOM 1055 O GLN A 68 -3.029 4.206 10.778 1.00 0.00 O ATOM 1056 CB GLN A 68 -5.086 5.690 12.380 1.00 0.00 C ATOM 1057 CG GLN A 68 -4.570 7.107 12.162 1.00 0.00 C ATOM 1058 CD GLN A 68 -4.316 7.863 13.457 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -3.446 8.734 13.518 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -5.071 7.541 14.495 1.00 0.00 N ATOM 0 H GLN A 68 -5.285 3.031 12.001 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.031 5.452 10.470 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.027 5.734 12.928 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.378 5.145 13.005 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.645 7.064 11.587 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.293 7.661 11.562 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.781 6.814 14.404 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.943 8.020 15.387 1.00 0.00 H new ATOM 1069 N THR A 69 -3.940 5.461 9.149 1.00 0.00 N ATOM 1070 CA THR A 69 -2.771 5.396 8.292 1.00 0.00 C ATOM 1071 C THR A 69 -2.154 6.796 8.103 1.00 0.00 C ATOM 1072 O THR A 69 -1.766 7.445 9.078 1.00 0.00 O ATOM 1073 CB THR A 69 -3.134 4.727 6.932 1.00 0.00 C ATOM 1074 OG1 THR A 69 -2.015 4.735 6.034 1.00 0.00 O ATOM 1075 CG2 THR A 69 -4.340 5.399 6.271 1.00 0.00 C ATOM 0 H THR A 69 -4.703 6.028 8.779 1.00 0.00 H new ATOM 0 HA THR A 69 -2.014 4.775 8.772 1.00 0.00 H new ATOM 0 HB THR A 69 -3.400 3.693 7.151 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.203 4.978 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.560 4.903 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.205 5.324 6.930 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.115 6.449 6.086 1.00 0.00 H new ATOM 1083 N ASN A 70 -2.081 7.262 6.867 1.00 0.00 N ATOM 1084 CA ASN A 70 -1.516 8.561 6.557 1.00 0.00 C ATOM 1085 C ASN A 70 -2.629 9.586 6.340 1.00 0.00 C ATOM 1086 O ASN A 70 -3.796 9.217 6.179 1.00 0.00 O ATOM 1087 CB ASN A 70 -0.638 8.457 5.302 1.00 0.00 C ATOM 1088 CG ASN A 70 -1.392 7.911 4.101 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -2.009 8.657 3.344 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -1.346 6.598 3.921 1.00 0.00 N ATOM 0 H ASN A 70 -2.413 6.748 6.051 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.902 8.890 7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.241 9.443 5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.215 7.813 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.834 6.174 3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.823 6.012 4.572 1.00 0.00 H new ATOM 1097 N PRO A 71 -2.283 10.884 6.371 1.00 0.00 N ATOM 1098 CA PRO A 71 -3.238 11.974 6.151 1.00 0.00 C ATOM 1099 C PRO A 71 -3.880 11.914 4.770 1.00 0.00 C ATOM 1100 O PRO A 71 -3.384 11.231 3.871 1.00 0.00 O ATOM 1101 CB PRO A 71 -2.388 13.243 6.289 1.00 0.00 C ATOM 1102 CG PRO A 71 -0.981 12.789 6.100 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.929 11.388 6.632 1.00 0.00 C ATOM 0 HA PRO A 71 -4.068 11.927 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.666 13.987 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.525 13.705 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.699 12.818 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.286 13.436 6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.172 10.791 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.689 11.369 7.695 1.00 0.00 H new ATOM 1111 N THR A 72 -4.974 12.651 4.605 1.00 0.00 N ATOM 1112 CA THR A 72 -5.762 12.628 3.376 1.00 0.00 C ATOM 1113 C THR A 72 -6.531 11.307 3.260 1.00 0.00 C ATOM 1114 O THR A 72 -7.756 11.282 3.392 1.00 0.00 O ATOM 1115 CB THR A 72 -4.885 12.848 2.121 1.00 0.00 C ATOM 1116 OG1 THR A 72 -4.062 14.010 2.297 1.00 0.00 O ATOM 1117 CG2 THR A 72 -5.746 13.024 0.877 1.00 0.00 C ATOM 0 H THR A 72 -5.340 13.281 5.319 1.00 0.00 H new ATOM 0 HA THR A 72 -6.472 13.454 3.429 1.00 0.00 H new ATOM 0 HB THR A 72 -4.257 11.967 1.989 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.508 14.142 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.104 13.177 0.009 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.354 12.132 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.397 13.889 1.004 1.00 0.00 H new ATOM 1125 N GLY A 73 -5.810 10.212 3.058 1.00 0.00 N ATOM 1126 CA GLY A 73 -6.452 8.917 2.959 1.00 0.00 C ATOM 1127 C GLY A 73 -5.928 8.094 1.802 1.00 0.00 C ATOM 1128 O GLY A 73 -6.687 7.709 0.912 1.00 0.00 O ATOM 0 H GLY A 73 -4.795 10.198 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.300 8.368 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.527 9.056 2.843 1.00 0.00 H new ATOM 1132 N CYS A 74 -4.629 7.821 1.803 1.00 0.00 N ATOM 1133 CA CYS A 74 -4.039 6.976 0.778 1.00 0.00 C ATOM 1134 C CYS A 74 -4.374 5.515 1.056 1.00 0.00 C ATOM 1135 O CYS A 74 -3.629 4.807 1.732 1.00 0.00 O ATOM 1136 CB CYS A 74 -2.522 7.176 0.700 1.00 0.00 C ATOM 1137 SG CYS A 74 -1.702 6.163 -0.553 1.00 0.00 S ATOM 0 H CYS A 74 -3.970 8.171 2.498 1.00 0.00 H new ATOM 0 HA CYS A 74 -4.459 7.260 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.316 8.226 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.087 6.951 1.674 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.977 6.628 -1.735 1.00 0.00 H new ATOM 1143 N LEU A 75 -5.540 5.103 0.583 1.00 0.00 N ATOM 1144 CA LEU A 75 -6.000 3.730 0.711 1.00 0.00 C ATOM 1145 C LEU A 75 -6.945 3.402 -0.438 1.00 0.00 C ATOM 1146 O LEU A 75 -7.659 4.276 -0.929 1.00 0.00 O ATOM 1147 CB LEU A 75 -6.683 3.531 2.071 1.00 0.00 C ATOM 1148 CG LEU A 75 -7.763 4.560 2.421 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -9.134 4.106 1.944 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -7.773 4.828 3.916 1.00 0.00 C ATOM 0 H LEU A 75 -6.196 5.715 0.098 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.150 3.049 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.131 2.538 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.919 3.552 2.849 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.525 5.489 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.878 4.858 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.118 3.975 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.390 3.160 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.545 5.561 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.979 3.901 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.801 5.215 4.223 1.00 0.00 H new ATOM 1162 N TYR A 76 -6.941 2.155 -0.879 1.00 0.00 N ATOM 1163 CA TYR A 76 -7.741 1.760 -2.028 1.00 0.00 C ATOM 1164 C TYR A 76 -9.159 1.392 -1.604 1.00 0.00 C ATOM 1165 O TYR A 76 -9.426 0.264 -1.190 1.00 0.00 O ATOM 1166 CB TYR A 76 -7.075 0.589 -2.749 1.00 0.00 C ATOM 1167 CG TYR A 76 -7.648 0.276 -4.113 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -7.523 1.177 -5.162 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -8.288 -0.932 -4.359 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -8.020 0.884 -6.418 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -8.791 -1.231 -5.611 1.00 0.00 C ATOM 1172 CZ TYR A 76 -8.655 -0.321 -6.636 1.00 0.00 C ATOM 1173 OH TYR A 76 -9.142 -0.621 -7.886 1.00 0.00 O ATOM 0 H TYR A 76 -6.395 1.401 -0.461 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.805 2.606 -2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.012 0.805 -2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.158 -0.299 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.029 2.123 -4.994 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.394 -1.649 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.912 1.594 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.288 -2.174 -5.785 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.559 -1.508 -7.870 1.00 0.00 H new ATOM 1183 N ASN A 77 -10.051 2.367 -1.678 1.00 0.00 N ATOM 1184 CA ASN A 77 -11.461 2.153 -1.380 1.00 0.00 C ATOM 1185 C ASN A 77 -12.314 2.872 -2.418 1.00 0.00 C ATOM 1186 O ASN A 77 -12.350 4.101 -2.460 1.00 0.00 O ATOM 1187 CB ASN A 77 -11.793 2.651 0.029 1.00 0.00 C ATOM 1188 CG ASN A 77 -13.256 2.463 0.395 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -13.929 1.559 -0.100 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -13.751 3.310 1.280 1.00 0.00 N ATOM 0 H ASN A 77 -9.821 3.324 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.677 1.085 -1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.172 2.121 0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.538 3.708 0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.724 3.228 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.161 4.046 1.667 1.00 0.00 H new ATOM 1197 N PRO A 78 -12.996 2.108 -3.285 1.00 0.00 N ATOM 1198 CA PRO A 78 -13.747 2.659 -4.414 1.00 0.00 C ATOM 1199 C PRO A 78 -15.164 3.115 -4.056 1.00 0.00 C ATOM 1200 O PRO A 78 -15.952 3.461 -4.942 1.00 0.00 O ATOM 1201 CB PRO A 78 -13.798 1.478 -5.379 1.00 0.00 C ATOM 1202 CG PRO A 78 -13.836 0.275 -4.494 1.00 0.00 C ATOM 1203 CD PRO A 78 -13.070 0.634 -3.244 1.00 0.00 C ATOM 0 HA PRO A 78 -13.276 3.560 -4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.678 1.527 -6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.927 1.462 -6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.864 0.003 -4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.387 -0.585 -4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.582 0.284 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.077 0.184 -3.240 1.00 0.00 H new ATOM 1211 N LYS A 79 -15.493 3.126 -2.772 1.00 0.00 N ATOM 1212 CA LYS A 79 -16.822 3.541 -2.345 1.00 0.00 C ATOM 1213 C LYS A 79 -16.743 4.551 -1.206 1.00 0.00 C ATOM 1214 O LYS A 79 -15.802 4.542 -0.416 1.00 0.00 O ATOM 1215 CB LYS A 79 -17.668 2.331 -1.919 1.00 0.00 C ATOM 1216 CG LYS A 79 -17.130 1.575 -0.711 1.00 0.00 C ATOM 1217 CD LYS A 79 -18.074 0.452 -0.303 1.00 0.00 C ATOM 1218 CE LYS A 79 -17.542 -0.332 0.890 1.00 0.00 C ATOM 1219 NZ LYS A 79 -17.460 0.496 2.124 1.00 0.00 N ATOM 0 H LYS A 79 -14.866 2.855 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.305 4.019 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.679 2.671 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -17.741 1.641 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.148 1.163 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.997 2.264 0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -19.050 0.870 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -18.220 -0.224 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -18.188 -1.190 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.553 -0.723 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.704 0.131 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.251 1.482 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -18.367 0.455 2.631 1.00 0.00 H new ATOM 1233 N LEU A 80 -17.727 5.437 -1.151 1.00 0.00 N ATOM 1234 CA LEU A 80 -17.852 6.377 -0.050 1.00 0.00 C ATOM 1235 C LEU A 80 -19.147 6.106 0.696 1.00 0.00 C ATOM 1236 O LEU A 80 -20.217 6.021 0.088 1.00 0.00 O ATOM 1237 CB LEU A 80 -17.812 7.826 -0.546 1.00 0.00 C ATOM 1238 CG LEU A 80 -16.461 8.287 -1.096 1.00 0.00 C ATOM 1239 CD1 LEU A 80 -16.527 9.748 -1.511 1.00 0.00 C ATOM 1240 CD2 LEU A 80 -15.362 8.075 -0.063 1.00 0.00 C ATOM 0 H LEU A 80 -18.454 5.523 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 80 -17.006 6.239 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -18.565 7.948 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -18.095 8.483 0.276 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.225 7.688 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.558 10.060 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -17.285 9.873 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.785 10.360 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.409 8.409 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.592 8.648 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.298 7.016 0.188 1.00 0.00 H new ATOM 1252 N GLU A 81 -19.042 5.954 2.004 1.00 0.00 N ATOM 1253 CA GLU A 81 -20.176 5.550 2.819 1.00 0.00 C ATOM 1254 C GLU A 81 -21.173 6.693 2.963 1.00 0.00 C ATOM 1255 O GLU A 81 -20.809 7.790 3.401 1.00 0.00 O ATOM 1256 CB GLU A 81 -19.712 5.118 4.216 1.00 0.00 C ATOM 1257 CG GLU A 81 -18.373 4.393 4.247 1.00 0.00 C ATOM 1258 CD GLU A 81 -18.332 3.160 3.371 1.00 0.00 C ATOM 1259 OE1 GLU A 81 -18.983 2.154 3.719 1.00 0.00 O ATOM 1260 OE2 GLU A 81 -17.622 3.184 2.340 1.00 0.00 O ATOM 0 H GLU A 81 -18.180 6.105 2.527 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.658 4.710 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -19.646 6.001 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -20.471 4.468 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -17.589 5.081 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.148 4.106 5.274 1.00 0.00 H new ATOM 1267 N HIS A 82 -22.423 6.443 2.588 1.00 0.00 N ATOM 1268 CA HIS A 82 -23.494 7.397 2.842 1.00 0.00 C ATOM 1269 C HIS A 82 -23.813 7.407 4.325 1.00 0.00 C ATOM 1270 O HIS A 82 -24.740 6.736 4.786 1.00 0.00 O ATOM 1271 CB HIS A 82 -24.753 7.071 2.033 1.00 0.00 C ATOM 1272 CG HIS A 82 -24.683 7.502 0.600 1.00 0.00 C ATOM 1273 ND1 HIS A 82 -25.068 6.701 -0.450 1.00 0.00 N ATOM 1274 CD2 HIS A 82 -24.296 8.675 0.050 1.00 0.00 C ATOM 1275 CE1 HIS A 82 -24.922 7.358 -1.581 1.00 0.00 C ATOM 1276 NE2 HIS A 82 -24.456 8.562 -1.309 1.00 0.00 N ATOM 0 H HIS A 82 -22.718 5.592 2.109 1.00 0.00 H new ATOM 0 HA HIS A 82 -23.154 8.383 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -24.929 5.996 2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -25.610 7.551 2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -23.929 9.541 0.581 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -25.146 6.976 -2.566 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -24.249 9.288 -1.995 1.00 0.00 H new ATOM 1285 N HIS A 83 -23.002 8.142 5.067 1.00 0.00 N ATOM 1286 CA HIS A 83 -23.087 8.161 6.515 1.00 0.00 C ATOM 1287 C HIS A 83 -22.248 9.312 7.066 1.00 0.00 C ATOM 1288 O HIS A 83 -22.484 9.784 8.179 1.00 0.00 O ATOM 1289 CB HIS A 83 -22.604 6.816 7.078 1.00 0.00 C ATOM 1290 CG HIS A 83 -22.858 6.629 8.543 1.00 0.00 C ATOM 1291 ND1 HIS A 83 -22.018 5.904 9.360 1.00 0.00 N ATOM 1292 CD2 HIS A 83 -23.871 7.058 9.335 1.00 0.00 C ATOM 1293 CE1 HIS A 83 -22.500 5.898 10.589 1.00 0.00 C ATOM 1294 NE2 HIS A 83 -23.622 6.590 10.600 1.00 0.00 N ATOM 0 H HIS A 83 -22.270 8.739 4.683 1.00 0.00 H new ATOM 0 HA HIS A 83 -24.123 8.313 6.819 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -23.094 6.010 6.531 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -21.534 6.722 6.893 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -24.716 7.656 9.028 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -22.051 5.409 11.441 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -24.210 6.751 11.418 1.00 0.00 H new ATOM 1303 N HIS A 84 -21.265 9.758 6.278 1.00 0.00 N ATOM 1304 CA HIS A 84 -20.447 10.911 6.651 1.00 0.00 C ATOM 1305 C HIS A 84 -21.252 12.202 6.550 1.00 0.00 C ATOM 1306 O HIS A 84 -21.165 12.944 5.567 1.00 0.00 O ATOM 1307 CB HIS A 84 -19.178 10.996 5.798 1.00 0.00 C ATOM 1308 CG HIS A 84 -18.037 10.202 6.351 1.00 0.00 C ATOM 1309 ND1 HIS A 84 -17.402 9.190 5.659 1.00 0.00 N ATOM 1310 CD2 HIS A 84 -17.406 10.289 7.545 1.00 0.00 C ATOM 1311 CE1 HIS A 84 -16.435 8.691 6.409 1.00 0.00 C ATOM 1312 NE2 HIS A 84 -16.417 9.340 7.556 1.00 0.00 N ATOM 0 H HIS A 84 -21.019 9.338 5.381 1.00 0.00 H new ATOM 0 HA HIS A 84 -20.141 10.777 7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.402 10.644 4.791 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -18.876 12.040 5.711 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -17.639 10.979 8.342 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.771 7.887 6.129 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.772 9.165 8.326 1.00 0.00 H new ATOM 1321 N HIS A 85 -22.051 12.419 7.583 1.00 0.00 N ATOM 1322 CA HIS A 85 -22.960 13.553 7.706 1.00 0.00 C ATOM 1323 C HIS A 85 -23.834 13.277 8.915 1.00 0.00 C ATOM 1324 O HIS A 85 -23.967 14.102 9.808 1.00 0.00 O ATOM 1325 CB HIS A 85 -23.845 13.705 6.451 1.00 0.00 C ATOM 1326 CG HIS A 85 -24.692 14.951 6.426 1.00 0.00 C ATOM 1327 ND1 HIS A 85 -24.700 15.833 5.366 1.00 0.00 N ATOM 1328 CD2 HIS A 85 -25.583 15.446 7.323 1.00 0.00 C ATOM 1329 CE1 HIS A 85 -25.547 16.813 5.613 1.00 0.00 C ATOM 1330 NE2 HIS A 85 -26.097 16.601 6.791 1.00 0.00 N ATOM 0 H HIS A 85 -22.087 11.791 8.386 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.394 14.478 7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -23.205 13.699 5.569 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -24.499 12.836 6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -25.839 15.011 8.278 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -25.755 17.648 4.960 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -26.793 17.199 7.236 1.00 0.00 H new ATOM 1339 N HIS A 86 -24.390 12.065 8.892 1.00 0.00 N ATOM 1340 CA HIS A 86 -25.245 11.488 9.938 1.00 0.00 C ATOM 1341 C HIS A 86 -26.105 10.430 9.273 1.00 0.00 C ATOM 1342 O HIS A 86 -26.413 9.387 9.843 1.00 0.00 O ATOM 1343 CB HIS A 86 -26.139 12.523 10.638 1.00 0.00 C ATOM 1344 CG HIS A 86 -25.758 12.750 12.069 1.00 0.00 C ATOM 1345 ND1 HIS A 86 -26.427 12.181 13.125 1.00 0.00 N ATOM 1346 CD2 HIS A 86 -24.754 13.477 12.616 1.00 0.00 C ATOM 1347 CE1 HIS A 86 -25.855 12.542 14.256 1.00 0.00 C ATOM 1348 NE2 HIS A 86 -24.833 13.329 13.978 1.00 0.00 N ATOM 0 H HIS A 86 -24.252 11.427 8.108 1.00 0.00 H new ATOM 0 HA HIS A 86 -24.608 11.073 10.719 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -26.083 13.468 10.098 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -27.176 12.190 10.592 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -24.025 14.065 12.079 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -26.170 12.244 15.245 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -24.207 13.756 14.661 1.00 0.00 H new ATOM 1357 N HIS A 87 -26.466 10.733 8.037 1.00 0.00 N ATOM 1358 CA HIS A 87 -27.138 9.803 7.151 1.00 0.00 C ATOM 1359 C HIS A 87 -26.951 10.283 5.719 1.00 0.00 C ATOM 1360 O HIS A 87 -26.004 9.826 5.056 1.00 0.00 O ATOM 1361 CB HIS A 87 -28.630 9.686 7.483 1.00 0.00 C ATOM 1362 CG HIS A 87 -29.382 8.784 6.547 1.00 0.00 C ATOM 1363 ND1 HIS A 87 -29.390 7.411 6.664 1.00 0.00 N ATOM 1364 CD2 HIS A 87 -30.140 9.069 5.461 1.00 0.00 C ATOM 1365 CE1 HIS A 87 -30.115 6.893 5.690 1.00 0.00 C ATOM 1366 NE2 HIS A 87 -30.582 7.878 4.945 1.00 0.00 N ATOM 1367 OXT HIS A 87 -27.731 11.156 5.284 1.00 0.00 O ATOM 0 H HIS A 87 -26.297 11.647 7.617 1.00 0.00 H new ATOM 0 HA HIS A 87 -26.703 8.812 7.278 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -28.740 9.313 8.501 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -29.079 10.679 7.457 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -30.356 10.053 5.073 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -30.296 5.840 5.529 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -31.174 7.771 4.121 1.00 0.00 H new TER 1376 HIS A 87 HETATM 1377 ZN ZN A 150 6.653 2.389 -6.615 1.00 0.00 ZN