USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 5 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -16.5! C(o=-24!,f=-23!) USER MOD Set 2.2: A 37 MET CE :methyl -110:sc= -6.69! (180deg=-4.73!) USER MOD Single : A 1 MET CE :methyl 142:sc= -1.6 (180deg=-2.9!) USER MOD Single : A 1 MET N :NH3+ -160:sc= -4.38! (180deg=-5.65!) USER MOD Single : A 3 LYS NZ :NH3+ -150:sc= -0.851 (180deg=-1.89) USER MOD Single : A 7 TYR OH : rot -35:sc= 1.41 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.505 F(o=-1.1,f=-0.51) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= -0.0611 (180deg=-0.684) USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.794 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.024 (180deg=-0.209) USER MOD Single : A 29 GLN : amide:sc= -3.97 X(o=-4,f=-3.8!) USER MOD Single : A 35 ASN : amide:sc= -3.4 K(o=-3.4,f=-5.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -118:sc=-0.00552 (180deg=-0.125) USER MOD Single : A 53 THR OG1 : rot 85:sc= 0.151 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 60 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 156:sc= -0.0523 (180deg=-1.14) USER MOD Single : A 67 GLN : amide:sc= -5.02! C(o=-5!,f=-4.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.1 USER MOD Single : A 75 HIS : no HE2:sc= -4.36 K(o=-4.4,f=-9!) USER MOD Single : A 81 GLN : amide:sc= 0.687 K(o=0.69,f=-5.3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.194 -0.288 -4.536 1.00 0.00 N ATOM 2 CA MET A 1 -10.837 -0.831 -4.814 1.00 0.00 C ATOM 3 C MET A 1 -9.741 -0.069 -4.093 1.00 0.00 C ATOM 4 O MET A 1 -9.398 1.051 -4.463 1.00 0.00 O ATOM 5 CB MET A 1 -10.592 -0.776 -6.315 1.00 0.00 C ATOM 6 CG MET A 1 -9.406 -1.601 -6.784 1.00 0.00 C ATOM 7 SD MET A 1 -9.160 -1.502 -8.567 1.00 0.00 S ATOM 8 CE MET A 1 -8.465 0.141 -8.723 1.00 0.00 C ATOM 0 H1 MET A 1 -12.909 -1.011 -4.756 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.264 -0.026 -3.532 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.359 0.553 -5.126 1.00 0.00 H new ATOM 0 HA MET A 1 -10.804 -1.856 -4.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.488 -1.122 -6.831 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.437 0.262 -6.608 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.505 -1.257 -6.276 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.556 -2.642 -6.498 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.690 0.137 -9.490 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.250 0.843 -9.004 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.031 0.444 -7.770 1.00 0.00 H new ATOM 20 N PHE A 2 -9.167 -0.703 -3.082 1.00 0.00 N ATOM 21 CA PHE A 2 -8.086 -0.094 -2.327 1.00 0.00 C ATOM 22 C PHE A 2 -6.800 -0.119 -3.138 1.00 0.00 C ATOM 23 O PHE A 2 -6.616 -0.974 -4.005 1.00 0.00 O ATOM 24 CB PHE A 2 -7.892 -0.822 -0.998 1.00 0.00 C ATOM 25 CG PHE A 2 -9.035 -0.622 -0.049 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.154 -1.437 -0.112 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.996 0.384 0.900 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.211 -1.254 0.756 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.051 0.574 1.772 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.161 -0.246 1.699 1.00 0.00 C ATOM 0 H PHE A 2 -9.432 -1.636 -2.767 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.346 0.944 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.767 -1.888 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.972 -0.472 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.199 -2.225 -0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.131 1.028 0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.076 -1.898 0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.008 1.362 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.988 -0.099 2.378 1.00 0.00 H new ATOM 40 N LYS A 3 -5.918 0.830 -2.864 1.00 0.00 N ATOM 41 CA LYS A 3 -4.654 0.922 -3.577 1.00 0.00 C ATOM 42 C LYS A 3 -3.486 0.653 -2.639 1.00 0.00 C ATOM 43 O LYS A 3 -3.303 1.351 -1.645 1.00 0.00 O ATOM 44 CB LYS A 3 -4.505 2.304 -4.211 1.00 0.00 C ATOM 45 CG LYS A 3 -5.292 2.472 -5.501 1.00 0.00 C ATOM 46 CD LYS A 3 -6.503 3.374 -5.308 1.00 0.00 C ATOM 47 CE LYS A 3 -6.420 4.616 -6.182 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.692 5.390 -6.168 1.00 0.00 N ATOM 0 H LYS A 3 -6.055 1.548 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.649 0.167 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.831 3.059 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.450 2.490 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.644 2.892 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.619 1.495 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.411 2.821 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.575 3.669 -4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.605 5.251 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.183 4.325 -7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.809 5.881 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.491 4.742 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.665 6.089 -5.398 1.00 0.00 H new ATOM 62 N VAL A 4 -2.696 -0.364 -2.956 1.00 0.00 N ATOM 63 CA VAL A 4 -1.549 -0.704 -2.129 1.00 0.00 C ATOM 64 C VAL A 4 -0.246 -0.258 -2.773 1.00 0.00 C ATOM 65 O VAL A 4 0.043 -0.589 -3.922 1.00 0.00 O ATOM 66 CB VAL A 4 -1.472 -2.217 -1.826 1.00 0.00 C ATOM 67 CG1 VAL A 4 -0.061 -2.622 -1.419 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.445 -2.587 -0.727 1.00 0.00 C ATOM 0 H VAL A 4 -2.827 -0.962 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.689 -0.170 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.739 -2.753 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.035 -3.692 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.631 -2.393 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.232 -2.072 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.378 -3.656 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.200 -2.032 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.459 -2.340 -1.041 1.00 0.00 H new ATOM 78 N TYR A 5 0.549 0.471 -2.003 1.00 0.00 N ATOM 79 CA TYR A 5 1.839 0.944 -2.468 1.00 0.00 C ATOM 80 C TYR A 5 2.935 0.097 -1.844 1.00 0.00 C ATOM 81 O TYR A 5 3.316 0.314 -0.697 1.00 0.00 O ATOM 82 CB TYR A 5 2.049 2.414 -2.090 1.00 0.00 C ATOM 83 CG TYR A 5 1.340 3.396 -2.996 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.191 3.035 -3.691 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.823 4.687 -3.154 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.451 3.934 -4.520 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.185 5.591 -3.981 1.00 0.00 C ATOM 88 CZ TYR A 5 0.050 5.209 -4.663 1.00 0.00 C ATOM 89 OH TYR A 5 -0.587 6.108 -5.487 1.00 0.00 O ATOM 0 H TYR A 5 0.319 0.747 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 5 1.873 0.860 -3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.705 2.567 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.117 2.631 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.205 2.036 -3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.712 4.990 -2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.342 3.638 -5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.574 6.592 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.105 6.961 -5.474 1.00 0.00 H new ATOM 99 N GLY A 6 3.431 -0.873 -2.595 1.00 0.00 N ATOM 100 CA GLY A 6 4.469 -1.735 -2.078 1.00 0.00 C ATOM 101 C GLY A 6 5.232 -2.443 -3.175 1.00 0.00 C ATOM 102 O GLY A 6 5.573 -1.841 -4.192 1.00 0.00 O ATOM 0 H GLY A 6 3.134 -1.078 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.163 -1.145 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.025 -2.475 -1.413 1.00 0.00 H new ATOM 106 N TYR A 7 5.523 -3.718 -2.964 1.00 0.00 N ATOM 107 CA TYR A 7 6.272 -4.495 -3.927 1.00 0.00 C ATOM 108 C TYR A 7 5.473 -5.700 -4.420 1.00 0.00 C ATOM 109 O TYR A 7 4.713 -6.301 -3.663 1.00 0.00 O ATOM 110 CB TYR A 7 7.573 -4.930 -3.276 1.00 0.00 C ATOM 111 CG TYR A 7 8.221 -3.784 -2.548 1.00 0.00 C ATOM 112 CD1 TYR A 7 7.807 -3.437 -1.271 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.196 -3.008 -3.157 1.00 0.00 C ATOM 114 CE1 TYR A 7 8.356 -2.359 -0.613 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.742 -1.925 -2.509 1.00 0.00 C ATOM 116 CZ TYR A 7 9.323 -1.603 -1.236 1.00 0.00 C ATOM 117 OH TYR A 7 9.869 -0.519 -0.588 1.00 0.00 O ATOM 0 H TYR A 7 5.248 -4.234 -2.128 1.00 0.00 H new ATOM 0 HA TYR A 7 6.481 -3.883 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.380 -5.746 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.253 -5.314 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.041 -4.022 -0.784 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.531 -3.258 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.030 -2.108 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.498 -1.328 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 7 9.184 -0.089 -0.035 1.00 0.00 H new ATOM 127 N ASP A 8 5.638 -6.046 -5.694 1.00 0.00 N ATOM 128 CA ASP A 8 4.917 -7.179 -6.269 1.00 0.00 C ATOM 129 C ASP A 8 5.831 -8.032 -7.146 1.00 0.00 C ATOM 130 O ASP A 8 5.618 -8.135 -8.355 1.00 0.00 O ATOM 131 CB ASP A 8 3.724 -6.700 -7.101 1.00 0.00 C ATOM 132 CG ASP A 8 4.029 -5.446 -7.899 1.00 0.00 C ATOM 133 OD1 ASP A 8 4.652 -5.566 -8.974 1.00 0.00 O ATOM 134 OD2 ASP A 8 3.641 -4.347 -7.451 1.00 0.00 O ATOM 0 H ASP A 8 6.259 -5.563 -6.343 1.00 0.00 H new ATOM 0 HA ASP A 8 4.558 -7.787 -5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.420 -7.494 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.879 -6.508 -6.439 1.00 0.00 H new ATOM 139 N SER A 9 6.845 -8.648 -6.545 1.00 0.00 N ATOM 140 CA SER A 9 7.765 -9.490 -7.306 1.00 0.00 C ATOM 141 C SER A 9 8.880 -10.055 -6.431 1.00 0.00 C ATOM 142 O SER A 9 8.937 -9.804 -5.228 1.00 0.00 O ATOM 143 CB SER A 9 8.372 -8.702 -8.470 1.00 0.00 C ATOM 144 OG SER A 9 8.300 -9.440 -9.678 1.00 0.00 O ATOM 0 H SER A 9 7.050 -8.582 -5.548 1.00 0.00 H new ATOM 0 HA SER A 9 7.186 -10.328 -7.695 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.845 -7.755 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.412 -8.462 -8.248 1.00 0.00 H new ATOM 0 HG SER A 9 8.692 -8.915 -10.406 1.00 0.00 H new ATOM 150 N ASN A 10 9.766 -10.815 -7.066 1.00 0.00 N ATOM 151 CA ASN A 10 10.901 -11.431 -6.392 1.00 0.00 C ATOM 152 C ASN A 10 12.082 -10.470 -6.343 1.00 0.00 C ATOM 153 O ASN A 10 13.151 -10.810 -5.836 1.00 0.00 O ATOM 154 CB ASN A 10 11.307 -12.719 -7.108 1.00 0.00 C ATOM 155 CG ASN A 10 10.328 -13.849 -6.862 1.00 0.00 C ATOM 156 OD1 ASN A 10 9.145 -13.742 -7.186 1.00 0.00 O ATOM 157 ND2 ASN A 10 10.816 -14.941 -6.285 1.00 0.00 N ATOM 0 H ASN A 10 9.716 -11.021 -8.064 1.00 0.00 H new ATOM 0 HA ASN A 10 10.604 -11.671 -5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.377 -12.529 -8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.299 -13.021 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.204 -15.734 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.803 -14.987 -6.033 1.00 0.00 H new ATOM 164 N ILE A 11 11.882 -9.266 -6.872 1.00 0.00 N ATOM 165 CA ILE A 11 12.893 -8.267 -6.896 1.00 0.00 C ATOM 166 C ILE A 11 12.872 -7.472 -5.599 1.00 0.00 C ATOM 167 O ILE A 11 13.747 -6.641 -5.355 1.00 0.00 O ATOM 168 CB ILE A 11 12.628 -7.325 -8.075 1.00 0.00 C ATOM 169 CG1 ILE A 11 13.627 -6.204 -8.060 1.00 0.00 C ATOM 170 CG2 ILE A 11 11.208 -6.768 -8.019 1.00 0.00 C ATOM 171 CD1 ILE A 11 14.033 -5.754 -9.439 1.00 0.00 C ATOM 0 H ILE A 11 11.000 -8.975 -7.294 1.00 0.00 H new ATOM 0 HA ILE A 11 13.869 -8.739 -7.005 1.00 0.00 H new ATOM 0 HB ILE A 11 12.733 -7.889 -9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.206 -5.357 -7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.514 -6.523 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.045 -6.102 -8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.493 -7.590 -8.060 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.071 -6.214 -7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.756 -4.942 -9.359 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.483 -6.589 -9.976 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.154 -5.405 -9.981 1.00 0.00 H new ATOM 183 N HIS A 12 11.871 -7.738 -4.763 1.00 0.00 N ATOM 184 CA HIS A 12 11.758 -7.044 -3.491 1.00 0.00 C ATOM 185 C HIS A 12 10.935 -7.858 -2.494 1.00 0.00 C ATOM 186 O HIS A 12 10.205 -8.772 -2.877 1.00 0.00 O ATOM 187 CB HIS A 12 11.135 -5.666 -3.699 1.00 0.00 C ATOM 188 CG HIS A 12 11.466 -4.693 -2.612 1.00 0.00 C ATOM 189 ND1 HIS A 12 12.423 -3.742 -2.571 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 10.810 -4.621 -1.408 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 12.370 -3.085 -1.345 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 11.382 -3.651 -0.684 1.00 0.00 N flip ATOM 0 H HIS A 12 11.136 -8.422 -4.944 1.00 0.00 H new ATOM 0 HA HIS A 12 12.759 -6.920 -3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.474 -5.263 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.052 -5.771 -3.765 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.979 -5.238 -1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.006 -2.280 -1.007 1.00 0.00 H new ATOM 0 HE2 HIS A 12 11.091 -3.385 0.257 1.00 0.00 H new ATOM 200 N LYS A 13 11.067 -7.526 -1.213 1.00 0.00 N ATOM 201 CA LYS A 13 10.347 -8.230 -0.157 1.00 0.00 C ATOM 202 C LYS A 13 8.878 -7.823 -0.111 1.00 0.00 C ATOM 203 O LYS A 13 8.479 -6.824 -0.712 1.00 0.00 O ATOM 204 CB LYS A 13 11.004 -7.961 1.198 1.00 0.00 C ATOM 205 CG LYS A 13 12.063 -8.984 1.573 1.00 0.00 C ATOM 206 CD LYS A 13 11.453 -10.178 2.287 1.00 0.00 C ATOM 207 CE LYS A 13 11.749 -10.148 3.777 1.00 0.00 C ATOM 208 NZ LYS A 13 11.794 -11.516 4.361 1.00 0.00 N ATOM 0 H LYS A 13 11.668 -6.772 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 13 10.393 -9.296 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.457 -6.970 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.234 -7.947 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.580 -9.321 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.810 -8.517 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.374 -10.185 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.844 -11.100 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.703 -9.649 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.986 -9.560 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.998 -11.452 5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.876 -11.984 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.539 -12.069 3.892 1.00 0.00 H new ATOM 222 N CYS A 14 8.077 -8.605 0.611 1.00 0.00 N ATOM 223 CA CYS A 14 6.648 -8.335 0.747 1.00 0.00 C ATOM 224 C CYS A 14 5.960 -9.434 1.560 1.00 0.00 C ATOM 225 O CYS A 14 5.231 -10.261 1.011 1.00 0.00 O ATOM 226 CB CYS A 14 5.994 -8.215 -0.634 1.00 0.00 C ATOM 227 SG CYS A 14 4.986 -6.714 -0.855 1.00 0.00 S ATOM 0 H CYS A 14 8.396 -9.434 1.113 1.00 0.00 H new ATOM 0 HA CYS A 14 6.531 -7.390 1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.774 -8.231 -1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.365 -9.089 -0.803 1.00 0.00 H new ATOM 232 N VAL A 15 6.200 -9.440 2.869 1.00 0.00 N ATOM 233 CA VAL A 15 5.607 -10.444 3.752 1.00 0.00 C ATOM 234 C VAL A 15 4.250 -9.995 4.287 1.00 0.00 C ATOM 235 O VAL A 15 3.276 -10.746 4.237 1.00 0.00 O ATOM 236 CB VAL A 15 6.530 -10.772 4.943 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.802 -11.446 4.459 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.856 -9.518 5.745 1.00 0.00 C ATOM 0 H VAL A 15 6.799 -8.763 3.342 1.00 0.00 H new ATOM 0 HA VAL A 15 5.473 -11.340 3.146 1.00 0.00 H new ATOM 0 HB VAL A 15 6.002 -11.462 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.442 -11.671 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.549 -12.371 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.329 -10.780 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.508 -9.779 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.359 -8.796 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.934 -9.081 6.129 1.00 0.00 H new ATOM 248 N TYR A 16 4.189 -8.771 4.803 1.00 0.00 N ATOM 249 CA TYR A 16 2.946 -8.233 5.349 1.00 0.00 C ATOM 250 C TYR A 16 1.942 -7.937 4.235 1.00 0.00 C ATOM 251 O TYR A 16 0.760 -7.703 4.495 1.00 0.00 O ATOM 252 CB TYR A 16 3.228 -6.962 6.157 1.00 0.00 C ATOM 253 CG TYR A 16 2.894 -7.085 7.629 1.00 0.00 C ATOM 254 CD1 TYR A 16 3.081 -8.283 8.310 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.391 -6.000 8.338 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.775 -8.395 9.653 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.084 -6.106 9.681 1.00 0.00 C ATOM 258 CZ TYR A 16 2.277 -7.306 10.333 1.00 0.00 C ATOM 259 OH TYR A 16 1.972 -7.413 11.670 1.00 0.00 O ATOM 0 H TYR A 16 4.984 -8.134 4.855 1.00 0.00 H new ATOM 0 HA TYR A 16 2.512 -8.984 6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.282 -6.704 6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.655 -6.138 5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.472 -9.140 7.781 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.238 -5.059 7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.926 -9.333 10.167 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.695 -5.253 10.218 1.00 0.00 H new ATOM 0 HH TYR A 16 1.633 -6.554 11.998 1.00 0.00 H new ATOM 269 N CYS A 17 2.420 -7.949 2.994 1.00 0.00 N ATOM 270 CA CYS A 17 1.567 -7.685 1.843 1.00 0.00 C ATOM 271 C CYS A 17 0.600 -8.841 1.618 1.00 0.00 C ATOM 272 O CYS A 17 -0.612 -8.645 1.537 1.00 0.00 O ATOM 273 CB CYS A 17 2.420 -7.463 0.589 1.00 0.00 C ATOM 274 SG CYS A 17 3.969 -6.548 0.892 1.00 0.00 S ATOM 0 H CYS A 17 3.395 -8.139 2.761 1.00 0.00 H new ATOM 0 HA CYS A 17 0.990 -6.782 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.663 -8.432 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.828 -6.920 -0.148 1.00 0.00 H new ATOM 279 N ASP A 18 1.146 -10.050 1.529 1.00 0.00 N ATOM 280 CA ASP A 18 0.338 -11.246 1.319 1.00 0.00 C ATOM 281 C ASP A 18 -0.768 -11.353 2.366 1.00 0.00 C ATOM 282 O ASP A 18 -1.807 -11.967 2.125 1.00 0.00 O ATOM 283 CB ASP A 18 1.221 -12.494 1.371 1.00 0.00 C ATOM 284 CG ASP A 18 0.679 -13.621 0.513 1.00 0.00 C ATOM 285 OD1 ASP A 18 -0.165 -14.393 1.013 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.097 -13.729 -0.659 1.00 0.00 O ATOM 0 H ASP A 18 2.148 -10.227 1.599 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.125 -11.171 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.227 -12.238 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.304 -12.834 2.403 1.00 0.00 H new ATOM 291 N ASN A 19 -0.534 -10.756 3.531 1.00 0.00 N ATOM 292 CA ASN A 19 -1.506 -10.786 4.617 1.00 0.00 C ATOM 293 C ASN A 19 -2.721 -9.925 4.288 1.00 0.00 C ATOM 294 O ASN A 19 -3.850 -10.417 4.248 1.00 0.00 O ATOM 295 CB ASN A 19 -0.861 -10.305 5.918 1.00 0.00 C ATOM 296 CG ASN A 19 0.162 -11.289 6.454 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.383 -11.215 5.935 1.00 0.00 O flip ATOM 298 ND2 ASN A 19 -0.141 -12.104 7.325 1.00 0.00 N flip ATOM 0 H ASN A 19 0.322 -10.245 3.747 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.840 -11.816 4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.380 -9.342 5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.636 -10.146 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.091 -12.125 7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.558 -12.758 7.677 1.00 0.00 H new ATOM 305 N ALA A 20 -2.486 -8.636 4.058 1.00 0.00 N ATOM 306 CA ALA A 20 -3.565 -7.706 3.738 1.00 0.00 C ATOM 307 C ALA A 20 -4.396 -8.199 2.557 1.00 0.00 C ATOM 308 O ALA A 20 -5.619 -8.054 2.545 1.00 0.00 O ATOM 309 CB ALA A 20 -3.001 -6.325 3.449 1.00 0.00 C ATOM 0 H ALA A 20 -1.559 -8.212 4.087 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.223 -7.646 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.816 -5.641 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.465 -5.960 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.317 -6.381 2.602 1.00 0.00 H new ATOM 315 N LYS A 21 -3.730 -8.790 1.571 1.00 0.00 N ATOM 316 CA LYS A 21 -4.414 -9.304 0.389 1.00 0.00 C ATOM 317 C LYS A 21 -5.472 -10.330 0.783 1.00 0.00 C ATOM 318 O LYS A 21 -6.636 -10.215 0.402 1.00 0.00 O ATOM 319 CB LYS A 21 -3.402 -9.936 -0.573 1.00 0.00 C ATOM 320 CG LYS A 21 -4.042 -10.620 -1.773 1.00 0.00 C ATOM 321 CD LYS A 21 -3.312 -10.285 -3.064 1.00 0.00 C ATOM 322 CE LYS A 21 -2.417 -11.431 -3.514 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.622 -11.990 -2.386 1.00 0.00 N ATOM 0 H LYS A 21 -2.719 -8.925 1.566 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.909 -8.472 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.720 -9.163 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.802 -10.665 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.038 -11.699 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.085 -10.313 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.038 -10.061 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.711 -9.387 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.029 -12.219 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.742 -11.080 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.760 -12.438 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.361 -11.224 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.190 -12.699 -1.879 1.00 0.00 H new ATOM 337 N ARG A 22 -5.058 -11.330 1.555 1.00 0.00 N ATOM 338 CA ARG A 22 -5.971 -12.375 2.006 1.00 0.00 C ATOM 339 C ARG A 22 -7.096 -11.776 2.842 1.00 0.00 C ATOM 340 O ARG A 22 -8.247 -12.205 2.756 1.00 0.00 O ATOM 341 CB ARG A 22 -5.216 -13.427 2.822 1.00 0.00 C ATOM 342 CG ARG A 22 -6.083 -14.597 3.256 1.00 0.00 C ATOM 343 CD ARG A 22 -6.383 -15.530 2.094 1.00 0.00 C ATOM 344 NE ARG A 22 -6.610 -16.903 2.539 1.00 0.00 N ATOM 345 CZ ARG A 22 -7.169 -17.845 1.781 1.00 0.00 C ATOM 346 NH1 ARG A 22 -7.558 -17.566 0.543 1.00 0.00 N ATOM 347 NH2 ARG A 22 -7.339 -19.068 2.263 1.00 0.00 N ATOM 0 H ARG A 22 -4.098 -11.439 1.881 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.404 -12.854 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.382 -13.804 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.791 -12.953 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.578 -15.151 4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.018 -14.223 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.263 -15.172 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.552 -15.510 1.389 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.324 -17.155 3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.429 -16.626 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.985 -18.291 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.042 -19.287 3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.767 -19.790 1.683 1.00 0.00 H new ATOM 361 N LEU A 23 -6.752 -10.775 3.645 1.00 0.00 N ATOM 362 CA LEU A 23 -7.725 -10.102 4.496 1.00 0.00 C ATOM 363 C LEU A 23 -8.829 -9.471 3.655 1.00 0.00 C ATOM 364 O LEU A 23 -10.014 -9.713 3.883 1.00 0.00 O ATOM 365 CB LEU A 23 -7.025 -9.030 5.339 1.00 0.00 C ATOM 366 CG LEU A 23 -7.948 -8.056 6.078 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.214 -7.414 7.243 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.473 -6.988 5.128 1.00 0.00 C ATOM 0 H LEU A 23 -5.802 -10.411 3.724 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.178 -10.839 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.391 -9.528 6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.367 -8.455 4.688 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.798 -8.616 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.882 -6.724 7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.885 -8.188 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.347 -6.869 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.127 -6.306 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.635 -6.430 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.033 -7.462 4.322 1.00 0.00 H new ATOM 380 N LEU A 24 -8.430 -8.660 2.680 1.00 0.00 N ATOM 381 CA LEU A 24 -9.382 -7.987 1.804 1.00 0.00 C ATOM 382 C LEU A 24 -10.285 -8.995 1.104 1.00 0.00 C ATOM 383 O LEU A 24 -11.506 -8.847 1.095 1.00 0.00 O ATOM 384 CB LEU A 24 -8.642 -7.143 0.768 1.00 0.00 C ATOM 385 CG LEU A 24 -7.959 -5.894 1.327 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.644 -5.640 0.614 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.873 -4.688 1.199 1.00 0.00 C ATOM 0 H LEU A 24 -7.452 -8.453 2.477 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.004 -7.335 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.890 -7.765 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.349 -6.839 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.750 -6.060 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.173 -4.747 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.983 -6.496 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.829 -5.494 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.372 -3.807 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.111 -4.522 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.793 -4.868 1.755 1.00 0.00 H new ATOM 399 N THR A 25 -9.676 -10.026 0.525 1.00 0.00 N ATOM 400 CA THR A 25 -10.433 -11.062 -0.166 1.00 0.00 C ATOM 401 C THR A 25 -11.493 -11.647 0.760 1.00 0.00 C ATOM 402 O THR A 25 -12.611 -11.945 0.339 1.00 0.00 O ATOM 403 CB THR A 25 -9.499 -12.169 -0.658 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.386 -11.619 -1.342 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.172 -13.150 -1.592 1.00 0.00 C ATOM 0 H THR A 25 -8.666 -10.165 0.521 1.00 0.00 H new ATOM 0 HA THR A 25 -10.926 -10.612 -1.028 1.00 0.00 H new ATOM 0 HB THR A 25 -9.187 -12.703 0.240 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.735 -11.284 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.453 -13.908 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.005 -13.629 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.543 -12.621 -2.470 1.00 0.00 H new ATOM 413 N VAL A 26 -11.130 -11.792 2.031 1.00 0.00 N ATOM 414 CA VAL A 26 -12.038 -12.325 3.039 1.00 0.00 C ATOM 415 C VAL A 26 -13.011 -11.248 3.508 1.00 0.00 C ATOM 416 O VAL A 26 -14.160 -11.536 3.848 1.00 0.00 O ATOM 417 CB VAL A 26 -11.258 -12.870 4.252 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.207 -13.417 5.308 1.00 0.00 C ATOM 419 CG2 VAL A 26 -10.268 -13.938 3.811 1.00 0.00 C ATOM 0 H VAL A 26 -10.207 -11.546 2.388 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.596 -13.142 2.581 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.700 -12.046 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.632 -13.795 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.871 -12.622 5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.799 -14.226 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.726 -14.312 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.806 -14.759 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.562 -13.509 3.100 1.00 0.00 H new ATOM 429 N LYS A 27 -12.540 -10.005 3.522 1.00 0.00 N ATOM 430 CA LYS A 27 -13.359 -8.874 3.945 1.00 0.00 C ATOM 431 C LYS A 27 -14.412 -8.532 2.891 1.00 0.00 C ATOM 432 O LYS A 27 -15.328 -7.752 3.149 1.00 0.00 O ATOM 433 CB LYS A 27 -12.471 -7.656 4.215 1.00 0.00 C ATOM 434 CG LYS A 27 -12.837 -6.899 5.483 1.00 0.00 C ATOM 435 CD LYS A 27 -11.814 -7.125 6.588 1.00 0.00 C ATOM 436 CE LYS A 27 -12.446 -7.765 7.814 1.00 0.00 C ATOM 437 NZ LYS A 27 -11.590 -8.842 8.383 1.00 0.00 N ATOM 0 H LYS A 27 -11.591 -9.755 3.244 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.876 -9.153 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.433 -7.983 4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.535 -6.976 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.907 -5.834 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.821 -7.219 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.012 -7.763 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.362 -6.173 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.621 -7.002 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.419 -8.178 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.057 -9.252 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.444 -9.583 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.671 -8.444 8.662 1.00 0.00 H new ATOM 451 N LYS A 28 -14.276 -9.118 1.701 1.00 0.00 N ATOM 452 CA LYS A 28 -15.214 -8.875 0.608 1.00 0.00 C ATOM 453 C LYS A 28 -15.018 -7.481 0.019 1.00 0.00 C ATOM 454 O LYS A 28 -15.984 -6.767 -0.250 1.00 0.00 O ATOM 455 CB LYS A 28 -16.660 -9.042 1.088 1.00 0.00 C ATOM 456 CG LYS A 28 -17.659 -9.221 -0.044 1.00 0.00 C ATOM 457 CD LYS A 28 -18.702 -10.274 0.293 1.00 0.00 C ATOM 458 CE LYS A 28 -18.166 -11.679 0.067 1.00 0.00 C ATOM 459 NZ LYS A 28 -18.006 -11.987 -1.381 1.00 0.00 N ATOM 0 H LYS A 28 -13.523 -9.766 1.471 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.015 -9.611 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.717 -9.905 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.942 -8.169 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.153 -8.271 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.132 -9.508 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.010 -10.163 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.589 -10.119 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.204 -11.786 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.844 -12.403 0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.938 -13.017 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.828 -11.625 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.140 -11.535 -1.738 1.00 0.00 H new ATOM 473 N GLN A 29 -13.760 -7.102 -0.185 1.00 0.00 N ATOM 474 CA GLN A 29 -13.440 -5.797 -0.746 1.00 0.00 C ATOM 475 C GLN A 29 -12.422 -5.922 -1.875 1.00 0.00 C ATOM 476 O GLN A 29 -11.360 -6.522 -1.697 1.00 0.00 O ATOM 477 CB GLN A 29 -12.890 -4.867 0.342 1.00 0.00 C ATOM 478 CG GLN A 29 -13.971 -4.113 1.099 1.00 0.00 C ATOM 479 CD GLN A 29 -14.751 -5.003 2.046 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.198 -5.544 3.004 1.00 0.00 O ATOM 481 NE2 GLN A 29 -16.042 -5.160 1.784 1.00 0.00 N ATOM 0 H GLN A 29 -12.948 -7.680 0.030 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.359 -5.373 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.305 -5.455 1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.209 -4.149 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.514 -3.301 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.658 -3.658 0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.460 -4.693 0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.617 -5.748 2.387 1.00 0.00 H new ATOM 490 N PRO A 30 -12.716 -5.343 -3.053 1.00 0.00 N ATOM 491 CA PRO A 30 -11.805 -5.384 -4.198 1.00 0.00 C ATOM 492 C PRO A 30 -10.680 -4.377 -4.031 1.00 0.00 C ATOM 493 O PRO A 30 -10.818 -3.421 -3.272 1.00 0.00 O ATOM 494 CB PRO A 30 -12.705 -4.978 -5.360 1.00 0.00 C ATOM 495 CG PRO A 30 -13.669 -4.029 -4.739 1.00 0.00 C ATOM 496 CD PRO A 30 -13.946 -4.583 -3.364 1.00 0.00 C ATOM 0 HA PRO A 30 -11.326 -6.354 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.137 -4.506 -6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.213 -5.839 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.250 -3.025 -4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.585 -3.959 -5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.124 -3.789 -2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.828 -5.224 -3.358 1.00 0.00 H new ATOM 504 N PHE A 31 -9.571 -4.583 -4.729 1.00 0.00 N ATOM 505 CA PHE A 31 -8.445 -3.665 -4.624 1.00 0.00 C ATOM 506 C PHE A 31 -7.481 -3.805 -5.799 1.00 0.00 C ATOM 507 O PHE A 31 -7.593 -4.729 -6.604 1.00 0.00 O ATOM 508 CB PHE A 31 -7.702 -3.893 -3.323 1.00 0.00 C ATOM 509 CG PHE A 31 -7.277 -5.313 -3.153 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.221 -6.292 -2.919 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.946 -5.673 -3.250 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.851 -7.610 -2.781 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.564 -6.991 -3.115 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.518 -7.965 -2.879 1.00 0.00 C ATOM 0 H PHE A 31 -9.427 -5.367 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.850 -2.653 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.824 -3.247 -3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.340 -3.605 -2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.263 -6.020 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.199 -4.915 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.600 -8.366 -2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.522 -7.263 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.223 -8.998 -2.772 1.00 0.00 H new ATOM 524 N GLU A 32 -6.522 -2.882 -5.877 1.00 0.00 N ATOM 525 CA GLU A 32 -5.524 -2.897 -6.940 1.00 0.00 C ATOM 526 C GLU A 32 -4.133 -2.639 -6.370 1.00 0.00 C ATOM 527 O GLU A 32 -3.942 -1.727 -5.565 1.00 0.00 O ATOM 528 CB GLU A 32 -5.856 -1.847 -8.003 1.00 0.00 C ATOM 529 CG GLU A 32 -6.238 -2.441 -9.349 1.00 0.00 C ATOM 530 CD GLU A 32 -5.052 -3.047 -10.074 1.00 0.00 C ATOM 531 OE1 GLU A 32 -4.085 -3.452 -9.396 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.092 -3.116 -11.321 1.00 0.00 O ATOM 0 H GLU A 32 -6.418 -2.114 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.536 -3.883 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.676 -1.226 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.995 -1.192 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.000 -3.207 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.683 -1.665 -9.972 1.00 0.00 H new ATOM 539 N PHE A 33 -3.166 -3.448 -6.786 1.00 0.00 N ATOM 540 CA PHE A 33 -1.799 -3.311 -6.315 1.00 0.00 C ATOM 541 C PHE A 33 -1.005 -2.354 -7.199 1.00 0.00 C ATOM 542 O PHE A 33 -1.374 -2.099 -8.345 1.00 0.00 O ATOM 543 CB PHE A 33 -1.121 -4.677 -6.295 1.00 0.00 C ATOM 544 CG PHE A 33 0.038 -4.747 -5.354 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.169 -4.855 -3.994 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.333 -4.703 -5.833 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.900 -4.920 -3.120 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.407 -4.765 -4.967 1.00 0.00 C ATOM 549 CZ PHE A 33 2.192 -4.874 -3.610 1.00 0.00 C ATOM 0 H PHE A 33 -3.307 -4.208 -7.451 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.826 -2.900 -5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.853 -5.435 -6.016 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.779 -4.920 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.177 -4.889 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.507 -4.619 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.726 -5.006 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.415 -4.728 -5.353 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.031 -4.923 -2.931 1.00 0.00 H new ATOM 559 N ILE A 34 0.090 -1.831 -6.656 1.00 0.00 N ATOM 560 CA ILE A 34 0.948 -0.908 -7.389 1.00 0.00 C ATOM 561 C ILE A 34 2.394 -1.042 -6.937 1.00 0.00 C ATOM 562 O ILE A 34 2.712 -0.880 -5.759 1.00 0.00 O ATOM 563 CB ILE A 34 0.509 0.557 -7.212 1.00 0.00 C ATOM 564 CG1 ILE A 34 -1.010 0.676 -7.318 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.188 1.440 -8.249 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.539 2.034 -6.919 1.00 0.00 C ATOM 0 H ILE A 34 0.405 -2.032 -5.707 1.00 0.00 H new ATOM 0 HA ILE A 34 0.859 -1.173 -8.443 1.00 0.00 H new ATOM 0 HB ILE A 34 0.811 0.893 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.312 0.465 -8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.471 -0.084 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.869 2.473 -8.112 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.270 1.376 -8.130 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.913 1.104 -9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.624 2.045 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.268 2.240 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.107 2.797 -7.566 1.00 0.00 H new ATOM 578 N ASN A 35 3.260 -1.344 -7.888 1.00 0.00 N ATOM 579 CA ASN A 35 4.684 -1.509 -7.614 1.00 0.00 C ATOM 580 C ASN A 35 5.406 -0.168 -7.672 1.00 0.00 C ATOM 581 O ASN A 35 5.403 0.504 -8.703 1.00 0.00 O ATOM 582 CB ASN A 35 5.310 -2.474 -8.624 1.00 0.00 C ATOM 583 CG ASN A 35 6.395 -3.334 -8.005 1.00 0.00 C ATOM 584 OD1 ASN A 35 6.789 -3.127 -6.857 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.886 -4.306 -8.766 1.00 0.00 N ATOM 0 H ASN A 35 3.003 -1.482 -8.865 1.00 0.00 H new ATOM 0 HA ASN A 35 4.789 -1.920 -6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.533 -3.116 -9.039 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.730 -1.905 -9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.619 -4.916 -8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.530 -4.442 -9.712 1.00 0.00 H new ATOM 592 N ILE A 36 6.032 0.216 -6.563 1.00 0.00 N ATOM 593 CA ILE A 36 6.759 1.478 -6.506 1.00 0.00 C ATOM 594 C ILE A 36 8.244 1.283 -6.814 1.00 0.00 C ATOM 595 O ILE A 36 9.013 2.242 -6.807 1.00 0.00 O ATOM 596 CB ILE A 36 6.593 2.182 -5.134 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.569 1.624 -4.088 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.159 2.050 -4.642 1.00 0.00 C ATOM 599 CD1 ILE A 36 7.304 0.184 -3.711 1.00 0.00 C ATOM 0 H ILE A 36 6.050 -0.325 -5.698 1.00 0.00 H new ATOM 0 HA ILE A 36 6.324 2.120 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 36 6.826 3.238 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.585 1.708 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.516 2.240 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.058 2.549 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.483 2.511 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.907 0.995 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.034 -0.138 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.300 0.096 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.386 -0.445 -4.597 1.00 0.00 H new ATOM 611 N MET A 37 8.647 0.043 -7.086 1.00 0.00 N ATOM 612 CA MET A 37 10.043 -0.245 -7.394 1.00 0.00 C ATOM 613 C MET A 37 10.190 -0.855 -8.784 1.00 0.00 C ATOM 614 O MET A 37 10.023 -2.061 -8.960 1.00 0.00 O ATOM 615 CB MET A 37 10.645 -1.195 -6.355 1.00 0.00 C ATOM 616 CG MET A 37 12.127 -1.468 -6.573 1.00 0.00 C ATOM 617 SD MET A 37 13.182 -0.497 -5.479 1.00 0.00 S ATOM 618 CE MET A 37 12.682 -1.132 -3.881 1.00 0.00 C ATOM 0 H MET A 37 8.032 -0.770 -7.099 1.00 0.00 H new ATOM 0 HA MET A 37 10.581 0.702 -7.369 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.504 -0.771 -5.361 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.102 -2.140 -6.379 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.324 -2.528 -6.414 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.384 -1.248 -7.609 1.00 0.00 H new ATOM 0 HE1 MET A 37 12.125 -0.365 -3.343 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.051 -2.010 -4.020 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.566 -1.408 -3.306 1.00 0.00 H new ATOM 628 N PRO A 38 10.520 -0.031 -9.793 1.00 0.00 N ATOM 629 CA PRO A 38 10.705 -0.508 -11.162 1.00 0.00 C ATOM 630 C PRO A 38 12.053 -1.200 -11.331 1.00 0.00 C ATOM 631 O PRO A 38 12.237 -2.023 -12.228 1.00 0.00 O ATOM 632 CB PRO A 38 10.651 0.777 -11.986 1.00 0.00 C ATOM 633 CG PRO A 38 11.172 1.828 -11.068 1.00 0.00 C ATOM 634 CD PRO A 38 10.754 1.422 -9.678 1.00 0.00 C ATOM 0 HA PRO A 38 9.959 -1.245 -11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.261 0.698 -12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.634 1.000 -12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.257 1.905 -11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.765 2.806 -11.326 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.529 1.646 -8.945 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.854 1.949 -9.361 1.00 0.00 H new ATOM 642 N GLU A 39 12.990 -0.857 -10.451 1.00 0.00 N ATOM 643 CA GLU A 39 14.325 -1.436 -10.479 1.00 0.00 C ATOM 644 C GLU A 39 14.838 -1.656 -9.061 1.00 0.00 C ATOM 645 O GLU A 39 14.507 -0.900 -8.148 1.00 0.00 O ATOM 646 CB GLU A 39 15.284 -0.523 -11.246 1.00 0.00 C ATOM 647 CG GLU A 39 16.549 -1.226 -11.713 1.00 0.00 C ATOM 648 CD GLU A 39 17.217 -0.509 -12.870 1.00 0.00 C ATOM 649 OE1 GLU A 39 18.005 0.426 -12.615 1.00 0.00 O ATOM 650 OE2 GLU A 39 16.953 -0.883 -14.032 1.00 0.00 O ATOM 0 H GLU A 39 12.845 -0.176 -9.706 1.00 0.00 H new ATOM 0 HA GLU A 39 14.273 -2.399 -10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.766 -0.111 -12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.559 0.318 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.249 -1.298 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.305 -2.245 -12.013 1.00 0.00 H new ATOM 657 N LYS A 40 15.656 -2.688 -8.882 1.00 0.00 N ATOM 658 CA LYS A 40 16.215 -2.999 -7.568 1.00 0.00 C ATOM 659 C LYS A 40 17.134 -1.894 -7.071 1.00 0.00 C ATOM 660 O LYS A 40 17.588 -1.906 -5.927 1.00 0.00 O ATOM 661 CB LYS A 40 16.959 -4.336 -7.598 1.00 0.00 C ATOM 662 CG LYS A 40 18.063 -4.394 -8.643 1.00 0.00 C ATOM 663 CD LYS A 40 19.444 -4.323 -8.007 1.00 0.00 C ATOM 664 CE LYS A 40 20.074 -2.951 -8.189 1.00 0.00 C ATOM 665 NZ LYS A 40 21.519 -2.951 -7.833 1.00 0.00 N ATOM 0 H LYS A 40 15.947 -3.322 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 40 15.381 -3.077 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.390 -4.525 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.244 -5.136 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.973 -5.317 -9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.943 -3.569 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.368 -4.551 -6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.089 -5.082 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.955 -2.632 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.548 -2.225 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.911 -1.997 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.631 -3.231 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.026 -3.625 -8.441 1.00 0.00 H new ATOM 679 N GLY A 41 17.395 -0.949 -7.944 1.00 0.00 N ATOM 680 CA GLY A 41 18.257 0.169 -7.614 1.00 0.00 C ATOM 681 C GLY A 41 17.534 1.260 -6.849 1.00 0.00 C ATOM 682 O GLY A 41 17.936 1.623 -5.743 1.00 0.00 O ATOM 0 H GLY A 41 17.022 -0.930 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.098 -0.189 -7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.670 0.587 -8.532 1.00 0.00 H new ATOM 686 N VAL A 42 16.463 1.788 -7.436 1.00 0.00 N ATOM 687 CA VAL A 42 15.696 2.850 -6.796 1.00 0.00 C ATOM 688 C VAL A 42 14.217 2.779 -7.161 1.00 0.00 C ATOM 689 O VAL A 42 13.859 2.399 -8.275 1.00 0.00 O ATOM 690 CB VAL A 42 16.238 4.239 -7.185 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.561 5.327 -6.366 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.749 4.291 -7.012 1.00 0.00 C ATOM 0 H VAL A 42 16.109 1.499 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 42 15.802 2.704 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 42 16.010 4.415 -8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.957 6.300 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.487 5.304 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.753 5.158 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.113 5.280 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.003 4.092 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.214 3.539 -7.649 1.00 0.00 H new ATOM 702 N PHE A 43 13.361 3.158 -6.214 1.00 0.00 N ATOM 703 CA PHE A 43 11.916 3.150 -6.442 1.00 0.00 C ATOM 704 C PHE A 43 11.550 4.068 -7.605 1.00 0.00 C ATOM 705 O PHE A 43 12.384 4.831 -8.093 1.00 0.00 O ATOM 706 CB PHE A 43 11.147 3.595 -5.189 1.00 0.00 C ATOM 707 CG PHE A 43 11.842 3.311 -3.886 1.00 0.00 C ATOM 708 CD1 PHE A 43 11.703 2.083 -3.262 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.625 4.281 -3.282 1.00 0.00 C ATOM 710 CE1 PHE A 43 12.334 1.825 -2.061 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.258 4.030 -2.080 1.00 0.00 C ATOM 712 CZ PHE A 43 13.113 2.800 -1.468 1.00 0.00 C ATOM 0 H PHE A 43 13.641 3.473 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 43 11.633 2.125 -6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.958 4.666 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.176 3.100 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.094 1.318 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.742 5.244 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.219 0.862 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.866 4.795 -1.619 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.607 2.601 -0.529 1.00 0.00 H new ATOM 722 N ASP A 44 10.295 3.995 -8.039 1.00 0.00 N ATOM 723 CA ASP A 44 9.812 4.825 -9.137 1.00 0.00 C ATOM 724 C ASP A 44 9.610 6.266 -8.681 1.00 0.00 C ATOM 725 O ASP A 44 8.587 6.599 -8.083 1.00 0.00 O ATOM 726 CB ASP A 44 8.498 4.265 -9.688 1.00 0.00 C ATOM 727 CG ASP A 44 8.398 4.401 -11.195 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.053 5.504 -11.670 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.664 3.405 -11.901 1.00 0.00 O ATOM 0 H ASP A 44 9.593 3.368 -7.646 1.00 0.00 H new ATOM 0 HA ASP A 44 10.564 4.813 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.411 3.213 -9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.661 4.786 -9.223 1.00 0.00 H new ATOM 734 N ASP A 45 10.588 7.118 -8.969 1.00 0.00 N ATOM 735 CA ASP A 45 10.521 8.527 -8.588 1.00 0.00 C ATOM 736 C ASP A 45 9.202 9.164 -9.023 1.00 0.00 C ATOM 737 O ASP A 45 8.766 10.161 -8.445 1.00 0.00 O ATOM 738 CB ASP A 45 11.695 9.298 -9.196 1.00 0.00 C ATOM 739 CG ASP A 45 11.708 9.241 -10.712 1.00 0.00 C ATOM 740 OD1 ASP A 45 10.838 8.555 -11.289 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.588 9.883 -11.322 1.00 0.00 O ATOM 0 H ASP A 45 11.440 6.858 -9.466 1.00 0.00 H new ATOM 0 HA ASP A 45 10.579 8.577 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.646 10.339 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.630 8.890 -8.813 1.00 0.00 H new ATOM 746 N GLU A 46 8.570 8.589 -10.042 1.00 0.00 N ATOM 747 CA GLU A 46 7.304 9.110 -10.542 1.00 0.00 C ATOM 748 C GLU A 46 6.211 8.981 -9.487 1.00 0.00 C ATOM 749 O GLU A 46 5.617 9.976 -9.069 1.00 0.00 O ATOM 750 CB GLU A 46 6.890 8.374 -11.817 1.00 0.00 C ATOM 751 CG GLU A 46 5.671 8.976 -12.496 1.00 0.00 C ATOM 752 CD GLU A 46 5.806 9.017 -14.005 1.00 0.00 C ATOM 753 OE1 GLU A 46 5.578 7.972 -14.651 1.00 0.00 O ATOM 754 OE2 GLU A 46 6.137 10.095 -14.542 1.00 0.00 O ATOM 0 H GLU A 46 8.913 7.765 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 46 7.440 10.167 -10.772 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.725 8.379 -12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.683 7.332 -11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.788 8.396 -12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.513 9.987 -12.121 1.00 0.00 H new ATOM 761 N LYS A 47 5.952 7.751 -9.058 1.00 0.00 N ATOM 762 CA LYS A 47 4.933 7.502 -8.048 1.00 0.00 C ATOM 763 C LYS A 47 5.383 8.035 -6.693 1.00 0.00 C ATOM 764 O LYS A 47 4.586 8.595 -5.942 1.00 0.00 O ATOM 765 CB LYS A 47 4.623 6.006 -7.944 1.00 0.00 C ATOM 766 CG LYS A 47 3.601 5.668 -6.870 1.00 0.00 C ATOM 767 CD LYS A 47 2.795 4.433 -7.236 1.00 0.00 C ATOM 768 CE LYS A 47 1.506 4.802 -7.954 1.00 0.00 C ATOM 769 NZ LYS A 47 1.664 4.761 -9.435 1.00 0.00 N ATOM 0 H LYS A 47 6.431 6.915 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 47 4.025 8.024 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.256 5.652 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.547 5.466 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.111 5.503 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.928 6.514 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.394 3.782 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.561 3.869 -6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.714 4.116 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.194 5.801 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.498 5.709 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.628 4.451 -9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.976 4.094 -9.839 1.00 0.00 H new ATOM 783 N ILE A 48 6.667 7.868 -6.391 1.00 0.00 N ATOM 784 CA ILE A 48 7.222 8.340 -5.128 1.00 0.00 C ATOM 785 C ILE A 48 6.837 9.795 -4.882 1.00 0.00 C ATOM 786 O ILE A 48 6.401 10.153 -3.790 1.00 0.00 O ATOM 787 CB ILE A 48 8.763 8.201 -5.105 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.166 6.726 -5.066 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.358 8.941 -3.913 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.701 6.005 -3.819 1.00 0.00 C ATOM 0 H ILE A 48 7.342 7.410 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 48 6.805 7.719 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 48 9.157 8.649 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.756 6.222 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.251 6.652 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.442 8.828 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.103 9.999 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.955 8.526 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.022 4.964 -3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.132 6.484 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.613 6.047 -3.759 1.00 0.00 H new ATOM 802 N ALA A 49 6.999 10.622 -5.909 1.00 0.00 N ATOM 803 CA ALA A 49 6.671 12.041 -5.810 1.00 0.00 C ATOM 804 C ALA A 49 5.184 12.244 -5.545 1.00 0.00 C ATOM 805 O ALA A 49 4.793 12.909 -4.583 1.00 0.00 O ATOM 806 CB ALA A 49 7.085 12.766 -7.082 1.00 0.00 C ATOM 0 H ALA A 49 7.356 10.335 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 49 7.223 12.459 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.835 13.823 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.160 12.658 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.557 12.337 -7.934 1.00 0.00 H new ATOM 812 N GLU A 50 4.353 11.664 -6.401 1.00 0.00 N ATOM 813 CA GLU A 50 2.909 11.781 -6.249 1.00 0.00 C ATOM 814 C GLU A 50 2.448 11.115 -4.956 1.00 0.00 C ATOM 815 O GLU A 50 1.374 11.421 -4.437 1.00 0.00 O ATOM 816 CB GLU A 50 2.196 11.162 -7.457 1.00 0.00 C ATOM 817 CG GLU A 50 1.945 9.664 -7.340 1.00 0.00 C ATOM 818 CD GLU A 50 1.215 9.100 -8.544 1.00 0.00 C ATOM 819 OE1 GLU A 50 1.649 9.373 -9.682 1.00 0.00 O ATOM 820 OE2 GLU A 50 0.210 8.387 -8.347 1.00 0.00 O ATOM 0 H GLU A 50 4.652 11.111 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 50 2.651 12.839 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.241 11.668 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.792 11.350 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.898 9.148 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.362 9.466 -6.441 1.00 0.00 H new ATOM 827 N LEU A 51 3.269 10.206 -4.437 1.00 0.00 N ATOM 828 CA LEU A 51 2.945 9.495 -3.213 1.00 0.00 C ATOM 829 C LEU A 51 2.828 10.473 -2.054 1.00 0.00 C ATOM 830 O LEU A 51 1.767 10.597 -1.443 1.00 0.00 O ATOM 831 CB LEU A 51 4.013 8.442 -2.913 1.00 0.00 C ATOM 832 CG LEU A 51 3.553 7.305 -2.007 1.00 0.00 C ATOM 833 CD1 LEU A 51 4.651 6.270 -1.845 1.00 0.00 C ATOM 834 CD2 LEU A 51 3.115 7.831 -0.658 1.00 0.00 C ATOM 0 H LEU A 51 4.165 9.947 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 51 1.987 8.991 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.361 8.019 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.868 8.934 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 51 2.695 6.825 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.302 5.468 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.911 5.859 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.530 6.738 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.792 7.000 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.949 8.344 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.288 8.529 -0.791 1.00 0.00 H new ATOM 846 N LEU A 52 3.920 11.179 -1.754 1.00 0.00 N ATOM 847 CA LEU A 52 3.912 12.147 -0.669 1.00 0.00 C ATOM 848 C LEU A 52 2.738 13.098 -0.822 1.00 0.00 C ATOM 849 O LEU A 52 1.972 13.321 0.115 1.00 0.00 O ATOM 850 CB LEU A 52 5.210 12.926 -0.645 1.00 0.00 C ATOM 851 CG LEU A 52 6.428 12.078 -0.953 1.00 0.00 C ATOM 852 CD1 LEU A 52 6.867 12.326 -2.367 1.00 0.00 C ATOM 853 CD2 LEU A 52 7.539 12.363 0.018 1.00 0.00 C ATOM 0 H LEU A 52 4.810 11.096 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 52 3.810 11.608 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.150 13.739 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.333 13.382 0.337 1.00 0.00 H new ATOM 0 HG LEU A 52 6.165 11.025 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.743 11.716 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.059 12.063 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.118 13.380 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.402 11.742 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.819 13.414 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.204 12.139 1.031 1.00 0.00 H new ATOM 865 N THR A 53 2.597 13.640 -2.027 1.00 0.00 N ATOM 866 CA THR A 53 1.503 14.555 -2.329 1.00 0.00 C ATOM 867 C THR A 53 0.167 13.921 -1.957 1.00 0.00 C ATOM 868 O THR A 53 -0.715 14.579 -1.406 1.00 0.00 O ATOM 869 CB THR A 53 1.512 14.928 -3.813 1.00 0.00 C ATOM 870 OG1 THR A 53 2.809 15.326 -4.222 1.00 0.00 O ATOM 871 CG2 THR A 53 0.557 16.052 -4.154 1.00 0.00 C ATOM 0 H THR A 53 3.226 13.462 -2.810 1.00 0.00 H new ATOM 0 HA THR A 53 1.639 15.462 -1.740 1.00 0.00 H new ATOM 0 HB THR A 53 1.191 14.029 -4.339 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.336 14.533 -4.454 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.613 16.266 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.460 15.756 -3.896 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.829 16.944 -3.590 1.00 0.00 H new ATOM 879 N LYS A 54 0.035 12.629 -2.248 1.00 0.00 N ATOM 880 CA LYS A 54 -1.183 11.893 -1.932 1.00 0.00 C ATOM 881 C LYS A 54 -1.343 11.761 -0.421 1.00 0.00 C ATOM 882 O LYS A 54 -2.449 11.869 0.110 1.00 0.00 O ATOM 883 CB LYS A 54 -1.156 10.507 -2.581 1.00 0.00 C ATOM 884 CG LYS A 54 -1.729 10.483 -3.988 1.00 0.00 C ATOM 885 CD LYS A 54 -3.194 10.076 -3.985 1.00 0.00 C ATOM 886 CE LYS A 54 -3.353 8.564 -3.954 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.666 8.012 -5.302 1.00 0.00 N ATOM 0 H LYS A 54 0.758 12.071 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.033 12.447 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.127 10.149 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.718 9.812 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.625 11.469 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.158 9.787 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.692 10.513 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.686 10.476 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.436 8.110 -3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.148 8.296 -3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.767 6.979 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.555 8.426 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.895 8.245 -5.960 1.00 0.00 H new ATOM 901 N LEU A 55 -0.226 11.537 0.265 1.00 0.00 N ATOM 902 CA LEU A 55 -0.230 11.401 1.717 1.00 0.00 C ATOM 903 C LEU A 55 -0.768 12.673 2.366 1.00 0.00 C ATOM 904 O LEU A 55 -1.492 12.623 3.361 1.00 0.00 O ATOM 905 CB LEU A 55 1.184 11.118 2.226 1.00 0.00 C ATOM 906 CG LEU A 55 1.747 9.732 1.886 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.584 9.213 3.037 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.634 8.745 1.569 1.00 0.00 C ATOM 0 H LEU A 55 0.695 11.446 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.877 10.566 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.856 11.873 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.191 11.237 3.309 1.00 0.00 H new ATOM 0 HG LEU A 55 2.373 9.833 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.979 8.229 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.411 9.898 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.966 9.138 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.066 7.773 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.024 8.649 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.061 9.105 0.715 1.00 0.00 H new ATOM 920 N GLY A 56 -0.404 13.811 1.784 1.00 0.00 N ATOM 921 CA GLY A 56 -0.843 15.095 2.298 1.00 0.00 C ATOM 922 C GLY A 56 -0.201 16.248 1.549 1.00 0.00 C ATOM 923 O GLY A 56 -0.477 16.460 0.370 1.00 0.00 O ATOM 0 H GLY A 56 0.192 13.866 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.928 15.168 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.596 15.167 3.357 1.00 0.00 H new ATOM 927 N ARG A 57 0.670 16.984 2.232 1.00 0.00 N ATOM 928 CA ARG A 57 1.365 18.111 1.616 1.00 0.00 C ATOM 929 C ARG A 57 2.732 18.315 2.255 1.00 0.00 C ATOM 930 O ARG A 57 3.269 19.423 2.267 1.00 0.00 O ATOM 931 CB ARG A 57 0.531 19.387 1.732 1.00 0.00 C ATOM 932 CG ARG A 57 0.929 20.466 0.737 1.00 0.00 C ATOM 933 CD ARG A 57 -0.160 21.516 0.588 1.00 0.00 C ATOM 934 NE ARG A 57 -1.338 20.990 -0.097 1.00 0.00 N ATOM 935 CZ ARG A 57 -1.418 20.827 -1.416 1.00 0.00 C ATOM 936 NH1 ARG A 57 -0.392 21.146 -2.195 1.00 0.00 N ATOM 937 NH2 ARG A 57 -2.527 20.342 -1.957 1.00 0.00 N ATOM 0 H ARG A 57 0.912 16.822 3.210 1.00 0.00 H new ATOM 0 HA ARG A 57 1.507 17.884 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.520 19.139 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.627 19.783 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.853 20.942 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.132 20.011 -0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.447 21.883 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.232 22.368 0.033 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.147 20.732 0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.464 21.518 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.459 21.019 -3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.318 20.094 -1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.589 20.217 -2.967 1.00 0.00 H new ATOM 951 N ASP A 58 3.288 17.231 2.778 1.00 0.00 N ATOM 952 CA ASP A 58 4.595 17.263 3.419 1.00 0.00 C ATOM 953 C ASP A 58 5.554 16.290 2.726 1.00 0.00 C ATOM 954 O ASP A 58 5.490 16.108 1.510 1.00 0.00 O ATOM 955 CB ASP A 58 4.452 16.923 4.908 1.00 0.00 C ATOM 956 CG ASP A 58 3.290 17.649 5.560 1.00 0.00 C ATOM 957 OD1 ASP A 58 2.983 18.781 5.135 1.00 0.00 O ATOM 958 OD2 ASP A 58 2.688 17.083 6.497 1.00 0.00 O ATOM 0 H ASP A 58 2.849 16.310 2.770 1.00 0.00 H new ATOM 0 HA ASP A 58 5.012 18.266 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.314 15.848 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.375 17.181 5.427 1.00 0.00 H new ATOM 963 N THR A 59 6.435 15.666 3.503 1.00 0.00 N ATOM 964 CA THR A 59 7.395 14.711 2.963 1.00 0.00 C ATOM 965 C THR A 59 7.200 13.341 3.605 1.00 0.00 C ATOM 966 O THR A 59 6.450 13.202 4.572 1.00 0.00 O ATOM 967 CB THR A 59 8.825 15.200 3.199 1.00 0.00 C ATOM 968 OG1 THR A 59 9.763 14.282 2.668 1.00 0.00 O ATOM 969 CG2 THR A 59 9.156 15.400 4.662 1.00 0.00 C ATOM 0 H THR A 59 6.503 15.806 4.511 1.00 0.00 H new ATOM 0 HA THR A 59 7.226 14.624 1.890 1.00 0.00 H new ATOM 0 HB THR A 59 8.887 16.164 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.671 14.613 2.827 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.185 15.747 4.758 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.481 16.142 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.041 14.455 5.194 1.00 0.00 H new ATOM 977 N GLN A 60 7.878 12.332 3.069 1.00 0.00 N ATOM 978 CA GLN A 60 7.772 10.983 3.599 1.00 0.00 C ATOM 979 C GLN A 60 8.523 10.870 4.916 1.00 0.00 C ATOM 980 O GLN A 60 9.740 10.692 4.944 1.00 0.00 O ATOM 981 CB GLN A 60 8.318 9.966 2.598 1.00 0.00 C ATOM 982 CG GLN A 60 9.659 10.355 1.998 1.00 0.00 C ATOM 983 CD GLN A 60 10.412 9.168 1.430 1.00 0.00 C ATOM 984 OE1 GLN A 60 11.628 9.058 1.582 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.690 8.271 0.768 1.00 0.00 N ATOM 0 H GLN A 60 8.505 12.425 2.270 1.00 0.00 H new ATOM 0 HA GLN A 60 6.718 10.768 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.419 9.000 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.594 9.837 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.500 11.090 1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.269 10.835 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.684 8.401 0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.142 7.452 0.362 1.00 0.00 H new ATOM 994 N ILE A 61 7.777 10.974 5.999 1.00 0.00 N ATOM 995 CA ILE A 61 8.342 10.889 7.341 1.00 0.00 C ATOM 996 C ILE A 61 8.579 9.440 7.749 1.00 0.00 C ATOM 997 O ILE A 61 7.776 8.851 8.474 1.00 0.00 O ATOM 998 CB ILE A 61 7.427 11.561 8.383 1.00 0.00 C ATOM 999 CG1 ILE A 61 7.041 12.969 7.926 1.00 0.00 C ATOM 1000 CG2 ILE A 61 8.113 11.611 9.740 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.634 13.367 8.318 1.00 0.00 C ATOM 0 H ILE A 61 6.768 11.119 5.979 1.00 0.00 H new ATOM 0 HA ILE A 61 9.296 11.416 7.313 1.00 0.00 H new ATOM 0 HB ILE A 61 6.518 10.968 8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.744 13.686 8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.139 13.030 6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.453 12.089 10.464 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.341 10.597 10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.037 12.183 9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.429 14.376 7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.922 12.673 7.872 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.537 13.339 9.403 1.00 0.00 H new ATOM 1013 N GLY A 62 9.683 8.868 7.278 1.00 0.00 N ATOM 1014 CA GLY A 62 10.003 7.491 7.607 1.00 0.00 C ATOM 1015 C GLY A 62 8.836 6.551 7.374 1.00 0.00 C ATOM 1016 O GLY A 62 8.734 5.505 8.015 1.00 0.00 O ATOM 0 H GLY A 62 10.361 9.333 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.853 7.166 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.309 7.432 8.651 1.00 0.00 H new ATOM 1020 N LEU A 63 7.948 6.932 6.459 1.00 0.00 N ATOM 1021 CA LEU A 63 6.777 6.119 6.142 1.00 0.00 C ATOM 1022 C LEU A 63 7.161 4.660 5.910 1.00 0.00 C ATOM 1023 O LEU A 63 8.339 4.333 5.762 1.00 0.00 O ATOM 1024 CB LEU A 63 6.042 6.690 4.929 1.00 0.00 C ATOM 1025 CG LEU A 63 6.538 6.220 3.565 1.00 0.00 C ATOM 1026 CD1 LEU A 63 8.058 6.211 3.511 1.00 0.00 C ATOM 1027 CD2 LEU A 63 5.977 4.845 3.231 1.00 0.00 C ATOM 0 H LEU A 63 8.017 7.798 5.924 1.00 0.00 H new ATOM 0 HA LEU A 63 6.103 6.149 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.986 6.436 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.113 7.777 4.965 1.00 0.00 H new ATOM 0 HG LEU A 63 6.179 6.925 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.385 5.872 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.434 7.218 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.445 5.537 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.344 4.530 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.297 4.128 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.888 4.891 3.212 1.00 0.00 H new ATOM 1039 N THR A 64 6.161 3.785 5.884 1.00 0.00 N ATOM 1040 CA THR A 64 6.401 2.363 5.677 1.00 0.00 C ATOM 1041 C THR A 64 5.552 1.816 4.533 1.00 0.00 C ATOM 1042 O THR A 64 4.541 2.406 4.153 1.00 0.00 O ATOM 1043 CB THR A 64 6.107 1.584 6.960 1.00 0.00 C ATOM 1044 OG1 THR A 64 4.716 1.560 7.226 1.00 0.00 O ATOM 1045 CG2 THR A 64 6.797 2.156 8.180 1.00 0.00 C ATOM 0 H THR A 64 5.179 4.036 6.003 1.00 0.00 H new ATOM 0 HA THR A 64 7.451 2.239 5.411 1.00 0.00 H new ATOM 0 HB THR A 64 6.492 0.580 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.549 1.056 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.546 1.556 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.876 2.142 8.028 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.466 3.183 8.337 1.00 0.00 H new ATOM 1053 N MET A 65 5.970 0.674 3.998 1.00 0.00 N ATOM 1054 CA MET A 65 5.254 0.033 2.906 1.00 0.00 C ATOM 1055 C MET A 65 4.796 -1.364 3.311 1.00 0.00 C ATOM 1056 O MET A 65 5.382 -1.983 4.199 1.00 0.00 O ATOM 1057 CB MET A 65 6.140 -0.046 1.661 1.00 0.00 C ATOM 1058 CG MET A 65 6.193 1.251 0.870 1.00 0.00 C ATOM 1059 SD MET A 65 7.816 1.560 0.150 1.00 0.00 S ATOM 1060 CE MET A 65 8.363 2.954 1.134 1.00 0.00 C ATOM 0 H MET A 65 6.804 0.173 4.305 1.00 0.00 H new ATOM 0 HA MET A 65 4.375 0.634 2.675 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.151 -0.320 1.961 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.773 -0.842 1.014 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.448 1.218 0.075 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.926 2.082 1.523 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.452 2.998 1.129 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.960 3.876 0.714 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.010 2.837 2.159 1.00 0.00 H new ATOM 1070 N PRO A 66 3.735 -1.884 2.669 1.00 0.00 N ATOM 1071 CA PRO A 66 3.002 -1.189 1.603 1.00 0.00 C ATOM 1072 C PRO A 66 2.078 -0.095 2.137 1.00 0.00 C ATOM 1073 O PRO A 66 1.446 -0.257 3.181 1.00 0.00 O ATOM 1074 CB PRO A 66 2.167 -2.304 0.950 1.00 0.00 C ATOM 1075 CG PRO A 66 2.647 -3.577 1.567 1.00 0.00 C ATOM 1076 CD PRO A 66 3.163 -3.204 2.922 1.00 0.00 C ATOM 0 HA PRO A 66 3.683 -0.682 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.103 -2.156 1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.305 -2.316 -0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.838 -4.304 1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.430 -4.034 0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.368 -3.170 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.909 -3.911 3.284 1.00 0.00 H new ATOM 1084 N GLN A 67 1.982 1.008 1.397 1.00 0.00 N ATOM 1085 CA GLN A 67 1.114 2.114 1.780 1.00 0.00 C ATOM 1086 C GLN A 67 -0.202 2.020 1.019 1.00 0.00 C ATOM 1087 O GLN A 67 -0.219 2.023 -0.209 1.00 0.00 O ATOM 1088 CB GLN A 67 1.796 3.453 1.500 1.00 0.00 C ATOM 1089 CG GLN A 67 1.390 4.558 2.461 1.00 0.00 C ATOM 1090 CD GLN A 67 2.561 5.423 2.886 1.00 0.00 C ATOM 1091 OE1 GLN A 67 2.664 5.823 4.046 1.00 0.00 O ATOM 1092 NE2 GLN A 67 3.451 5.720 1.946 1.00 0.00 N ATOM 0 H GLN A 67 2.496 1.157 0.529 1.00 0.00 H new ATOM 0 HA GLN A 67 0.913 2.051 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.876 3.318 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.561 3.764 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.633 5.185 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.931 4.115 3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.327 5.367 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.258 6.301 2.173 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.305 1.907 1.744 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.604 1.781 1.103 1.00 0.00 C ATOM 1103 C VAL A 68 -3.288 3.131 0.910 1.00 0.00 C ATOM 1104 O VAL A 68 -2.978 4.111 1.589 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.544 0.842 1.888 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.656 0.334 0.983 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.769 -0.322 2.492 1.00 0.00 C ATOM 0 H VAL A 68 -1.327 1.900 2.764 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.408 1.348 0.122 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.991 1.408 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.312 -0.327 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.231 1.179 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.222 -0.214 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.453 -0.969 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.289 -0.892 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.009 0.061 3.173 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.229 3.159 -0.026 1.00 0.00 N ATOM 1118 CA PHE A 69 -4.980 4.366 -0.340 1.00 0.00 C ATOM 1119 C PHE A 69 -6.430 4.012 -0.651 1.00 0.00 C ATOM 1120 O PHE A 69 -6.716 2.933 -1.168 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.358 5.075 -1.543 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.061 5.759 -1.234 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.050 7.042 -0.716 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.853 5.119 -1.459 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -1.858 7.676 -0.430 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.657 5.749 -1.174 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.659 7.028 -0.659 1.00 0.00 C ATOM 0 H PHE A 69 -4.492 2.348 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.949 5.031 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.195 4.347 -2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.065 5.811 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.984 7.553 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.846 4.117 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.862 8.678 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.278 5.240 -1.354 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.275 7.522 -0.435 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.343 4.919 -0.327 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.761 4.684 -0.569 1.00 0.00 C ATOM 1139 C ALA A 70 -9.034 4.495 -2.059 1.00 0.00 C ATOM 1140 O ALA A 70 -8.293 5.005 -2.899 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.592 5.836 -0.029 1.00 0.00 C ATOM 0 H ALA A 70 -7.129 5.819 0.102 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.045 3.770 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.648 5.643 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.428 5.931 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.297 6.761 -0.525 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.108 3.765 -2.411 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.487 3.506 -3.809 1.00 0.00 C ATOM 1149 C PRO A 71 -10.955 4.767 -4.516 1.00 0.00 C ATOM 1150 O PRO A 71 -12.084 4.845 -4.997 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.625 2.492 -3.695 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.544 1.986 -2.299 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.045 3.132 -1.483 1.00 0.00 C ATOM 0 HA PRO A 71 -9.646 3.144 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.591 2.957 -3.892 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.508 1.683 -4.416 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.519 1.650 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.869 1.133 -2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.849 3.806 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.555 2.801 -0.567 1.00 0.00 H new ATOM 1161 N ASP A 72 -10.052 5.740 -4.558 1.00 0.00 N ATOM 1162 CA ASP A 72 -10.279 7.046 -5.187 1.00 0.00 C ATOM 1163 C ASP A 72 -10.610 8.105 -4.137 1.00 0.00 C ATOM 1164 O ASP A 72 -11.261 9.107 -4.433 1.00 0.00 O ATOM 1165 CB ASP A 72 -11.369 6.979 -6.272 1.00 0.00 C ATOM 1166 CG ASP A 72 -12.764 7.317 -5.762 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -13.047 7.044 -4.576 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.568 7.854 -6.550 1.00 0.00 O ATOM 0 H ASP A 72 -9.122 5.646 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.352 7.335 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.110 7.666 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.382 5.977 -6.700 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.155 7.874 -2.909 1.00 0.00 N ATOM 1174 CA GLY A 73 -10.408 8.816 -1.832 1.00 0.00 C ATOM 1175 C GLY A 73 -9.145 9.507 -1.356 1.00 0.00 C ATOM 1176 O GLY A 73 -8.701 10.490 -1.949 1.00 0.00 O ATOM 0 H GLY A 73 -9.615 7.051 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.123 9.566 -2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.868 8.291 -0.995 1.00 0.00 H new ATOM 1180 N SER A 74 -8.570 8.984 -0.279 1.00 0.00 N ATOM 1181 CA SER A 74 -7.348 9.541 0.294 1.00 0.00 C ATOM 1182 C SER A 74 -6.496 8.441 0.912 1.00 0.00 C ATOM 1183 O SER A 74 -6.817 7.259 0.802 1.00 0.00 O ATOM 1184 CB SER A 74 -7.687 10.595 1.349 1.00 0.00 C ATOM 1185 OG SER A 74 -6.548 11.371 1.681 1.00 0.00 O ATOM 0 H SER A 74 -8.932 8.170 0.218 1.00 0.00 H new ATOM 0 HA SER A 74 -6.780 10.014 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.478 11.246 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.072 10.107 2.244 1.00 0.00 H new ATOM 0 HG SER A 74 -6.792 12.038 2.356 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.409 8.838 1.557 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.506 7.886 2.191 1.00 0.00 C ATOM 1193 C HIS A 75 -5.142 7.284 3.440 1.00 0.00 C ATOM 1194 O HIS A 75 -5.681 8.003 4.280 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.195 8.582 2.551 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.187 7.678 3.191 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.619 7.911 4.424 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.639 6.521 2.739 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.761 6.913 4.677 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.737 6.042 3.686 1.00 0.00 N ATOM 0 H HIS A 75 -5.130 9.814 1.656 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.304 7.077 1.489 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.762 9.011 1.647 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.408 9.410 3.227 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.816 8.703 5.036 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.866 6.047 1.795 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.167 6.832 5.575 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.071 5.960 3.560 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.641 5.268 4.713 1.00 0.00 C ATOM 1210 C ILE A 76 -4.535 4.726 5.616 1.00 0.00 C ATOM 1211 O ILE A 76 -4.625 4.809 6.841 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.580 4.118 4.269 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.932 4.682 3.835 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.771 3.091 5.377 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -8.131 4.662 2.339 1.00 0.00 C ATOM 0 H ILE A 76 -4.626 5.348 2.876 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.231 5.991 5.276 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.112 3.613 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.728 4.107 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.023 5.707 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.435 2.300 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.806 2.662 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.209 3.575 6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.110 5.076 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.356 5.261 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.071 3.635 1.978 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.494 4.177 5.003 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.385 3.643 5.770 1.00 0.00 C ATOM 1229 C GLY A 77 -1.915 2.295 5.260 1.00 0.00 C ATOM 1230 O GLY A 77 -2.253 1.893 4.148 1.00 0.00 O ATOM 0 H GLY A 77 -3.398 4.092 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.554 4.348 5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.683 3.548 6.814 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.125 1.600 6.074 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.612 0.299 5.682 1.00 0.00 C ATOM 1236 C GLY A 78 -1.558 -0.834 6.032 1.00 0.00 C ATOM 1237 O GLY A 78 -2.766 -0.732 5.819 1.00 0.00 O ATOM 0 H GLY A 78 -0.831 1.915 6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.428 0.294 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.348 0.129 6.170 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.004 -1.921 6.563 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.802 -3.085 6.934 1.00 0.00 C ATOM 1243 C PHE A 79 -2.639 -2.810 8.181 1.00 0.00 C ATOM 1244 O PHE A 79 -3.862 -2.693 8.104 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.893 -4.294 7.173 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.636 -5.542 7.556 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.677 -6.011 6.771 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.295 -6.243 8.701 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.364 -7.158 7.121 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.979 -7.390 9.057 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.016 -7.848 8.266 1.00 0.00 C ATOM 0 H PHE A 79 -0.005 -2.019 6.746 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.482 -3.301 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.316 -4.488 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.179 -4.051 7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.955 -5.474 5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.486 -5.889 9.322 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.172 -7.515 6.500 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.704 -7.928 9.952 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.553 -8.743 8.543 1.00 0.00 H new ATOM 1261 N ASP A 80 -1.974 -2.707 9.328 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.664 -2.447 10.591 1.00 0.00 C ATOM 1263 C ASP A 80 -3.490 -1.169 10.505 1.00 0.00 C ATOM 1264 O ASP A 80 -4.660 -1.142 10.893 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.655 -2.338 11.735 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.326 -2.153 13.082 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.821 -1.038 13.350 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.358 -3.124 13.868 1.00 0.00 O ATOM 0 H ASP A 80 -0.962 -2.799 9.411 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.337 -3.282 10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.039 -3.237 11.759 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.986 -1.498 11.547 1.00 0.00 H new ATOM 1273 N GLN A 81 -2.874 -0.111 9.987 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.549 1.173 9.843 1.00 0.00 C ATOM 1275 C GLN A 81 -4.884 0.996 9.134 1.00 0.00 C ATOM 1276 O GLN A 81 -5.897 1.564 9.541 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.674 2.148 9.057 1.00 0.00 C ATOM 1278 CG GLN A 81 -1.506 2.699 9.857 1.00 0.00 C ATOM 1279 CD GLN A 81 -0.379 1.697 10.014 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.354 0.664 9.345 1.00 0.00 O ATOM 1281 NE2 GLN A 81 0.560 1.997 10.903 1.00 0.00 N ATOM 0 H GLN A 81 -1.908 -0.118 9.660 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.728 1.578 10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.290 1.644 8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.290 2.978 8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.125 3.594 9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.857 3.002 10.843 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.499 2.865 11.436 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.342 1.360 11.053 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.876 0.200 8.071 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.088 -0.053 7.308 1.00 0.00 C ATOM 1292 C LEU A 82 -7.020 -1.001 8.051 1.00 0.00 C ATOM 1293 O LEU A 82 -8.239 -0.875 7.956 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.770 -0.609 5.932 1.00 0.00 C ATOM 1295 CG LEU A 82 -7.007 -0.812 5.068 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.765 -0.355 3.646 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.434 -2.260 5.110 1.00 0.00 C ATOM 0 H LEU A 82 -4.046 -0.279 7.721 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.594 0.904 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.086 0.069 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.251 -1.561 6.043 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.814 -0.200 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.667 -0.513 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.510 0.705 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.943 -0.927 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.320 -2.396 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.627 -2.888 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.664 -2.542 6.137 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.453 -1.937 8.811 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.271 -2.871 9.582 1.00 0.00 C ATOM 1311 C ARG A 83 -8.286 -2.089 10.401 1.00 0.00 C ATOM 1312 O ARG A 83 -9.394 -2.560 10.656 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.391 -3.725 10.498 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.170 -4.736 11.323 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.283 -5.411 12.357 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.012 -5.724 13.583 1.00 0.00 N ATOM 1317 CZ ARG A 83 -7.790 -6.794 13.733 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -7.946 -7.655 12.734 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -8.415 -7.003 14.883 1.00 0.00 N ATOM 0 H ARG A 83 -5.446 -2.068 8.909 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.795 -3.539 8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.656 -4.253 9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.838 -3.069 11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.000 -4.237 11.824 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.602 -5.490 10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.870 -6.328 11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.441 -4.760 12.592 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.920 -5.084 14.372 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.469 -7.498 11.846 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.543 -8.473 12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.300 -6.344 15.653 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.011 -7.823 14.998 1.00 0.00 H new ATOM 1333 N GLU A 84 -7.905 -0.870 10.782 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.791 0.000 11.537 1.00 0.00 C ATOM 1335 C GLU A 84 -9.940 0.442 10.641 1.00 0.00 C ATOM 1336 O GLU A 84 -11.081 0.570 11.087 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.032 1.220 12.064 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.727 1.915 13.222 1.00 0.00 C ATOM 1339 CD GLU A 84 -8.200 1.468 14.571 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -8.584 0.369 15.024 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.403 2.217 15.175 1.00 0.00 O ATOM 0 H GLU A 84 -6.990 -0.468 10.578 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.185 -0.548 12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.037 0.909 12.382 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.898 1.933 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.598 2.993 13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.798 1.717 13.170 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.631 0.641 9.360 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.632 1.030 8.381 1.00 0.00 C ATOM 1350 C TYR A 85 -11.683 -0.069 8.272 1.00 0.00 C ATOM 1351 O TYR A 85 -12.867 0.197 8.073 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.958 1.258 7.025 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.851 1.885 5.979 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.824 1.137 5.329 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.710 3.223 5.634 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.635 1.706 4.365 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.516 3.798 4.672 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.477 3.037 4.039 1.00 0.00 C ATOM 1359 OH TYR A 85 -13.281 3.607 3.080 1.00 0.00 O ATOM 0 H TYR A 85 -8.690 0.537 8.980 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.116 1.955 8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.086 1.896 7.170 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.595 0.302 6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.949 0.094 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.958 3.823 6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.388 1.112 3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.395 4.840 4.416 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.041 4.551 2.971 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.224 -1.309 8.427 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.092 -2.480 8.362 1.00 0.00 C ATOM 1371 C PHE A 86 -12.724 -2.777 9.720 1.00 0.00 C ATOM 1372 O PHE A 86 -13.892 -3.156 9.802 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.283 -3.688 7.878 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.125 -3.737 6.385 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.202 -3.476 5.551 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -9.898 -4.022 5.815 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.054 -3.498 4.179 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.745 -4.049 4.444 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.823 -3.785 3.625 1.00 0.00 C ATOM 0 H PHE A 86 -10.243 -1.529 8.601 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.899 -2.275 7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.296 -3.665 8.340 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.771 -4.602 8.215 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.168 -3.253 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.049 -4.226 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.900 -3.291 3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.782 -4.277 4.012 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.704 -3.803 2.552 1.00 0.00 H new ATOM 1389 N LYS A 87 -11.944 -2.601 10.783 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.427 -2.850 12.137 1.00 0.00 C ATOM 1391 C LYS A 87 -12.920 -4.287 12.285 1.00 0.00 C ATOM 1392 O LYS A 87 -13.356 -4.650 13.397 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.551 -1.874 12.488 1.00 0.00 C ATOM 1394 CG LYS A 87 -13.058 -0.581 13.117 1.00 0.00 C ATOM 1395 CD LYS A 87 -13.973 -0.123 14.240 1.00 0.00 C ATOM 1396 CE LYS A 87 -13.678 1.312 14.650 1.00 0.00 C ATOM 1397 NZ LYS A 87 -12.735 1.379 15.799 1.00 0.00 N ATOM 1398 OXT LYS A 87 -12.868 -5.036 11.287 1.00 0.00 O ATOM 0 H LYS A 87 -10.975 -2.287 10.732 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.595 -2.698 12.825 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.112 -1.638 11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.243 -2.362 13.174 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.049 -0.725 13.504 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.999 0.196 12.355 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.012 -0.205 13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.852 -0.781 15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.256 1.852 13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.609 1.812 14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.560 2.374 16.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.148 0.886 16.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.837 0.924 15.538 1.00 0.00 H new