USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 568 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 23 ASN : amide:sc= 1.02 K(o=1.5,f=-0.19) USER MOD Set 1.2: A 84 TYR OH : rot -20:sc= 0.436 USER MOD Set 2.1: A 35 HIS : no HD1:sc= -0.755 K(o=0.66,f=-5.9!) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= 1.42 F(o=0.097,f=0.66) USER MOD Set 2.3: A 76 ASN :FLIP amide:sc= 0 X(o=0.39,f=0.66) USER MOD Set 3.1: A 7 MET CE :methyl 162:sc= -0.285 (180deg=-0.838) USER MOD Set 3.2: A 37 MET CE :methyl 161:sc= -0.0364 (180deg=-0.341) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.78 K(o=-1.8,f=-4.9!) USER MOD Single : A 14 ASN : amide:sc= -0.877 K(o=-0.88,f=-4.5!) USER MOD Single : A 15 THR OG1 : rot -77:sc= 1.19 USER MOD Single : A 17 SER OG : rot 38:sc= 0.394 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.65) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 44:sc= 1.1 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0692 USER MOD Single : A 62 SER OG : rot -123:sc= 0.103 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -177:sc= 0 (180deg=-0.0344) USER MOD Single : A 70 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.4) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 64:sc= 1.13 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -103:sc= 1.89 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 9.058 -3.423 -7.640 1.00 0.00 N ATOM 27 CA TYR A 4 9.021 -2.983 -6.264 1.00 0.00 C ATOM 28 C TYR A 4 7.598 -2.564 -5.946 1.00 0.00 C ATOM 29 O TYR A 4 6.780 -2.331 -6.838 1.00 0.00 O ATOM 30 CB TYR A 4 9.944 -1.789 -6.008 1.00 0.00 C ATOM 31 CG TYR A 4 9.839 -0.683 -7.041 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.810 0.271 -6.938 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.755 -0.610 -8.105 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.651 1.245 -7.934 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.579 0.349 -9.113 1.00 0.00 C ATOM 36 CZ TYR A 4 9.525 1.273 -9.034 1.00 0.00 C ATOM 37 OH TYR A 4 9.277 2.120 -10.070 1.00 0.00 O ATOM 0 HA TYR A 4 9.360 -3.806 -5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.718 -1.375 -5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.975 -2.142 -5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.141 0.253 -6.090 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.592 -1.291 -8.146 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.857 1.973 -7.856 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.257 0.377 -9.953 1.00 0.00 H new ATOM 0 HH TYR A 4 9.975 2.018 -10.750 1.00 0.00 H new ATOM 47 N LEU A 5 7.330 -2.378 -4.663 1.00 0.00 N ATOM 48 CA LEU A 5 6.117 -1.736 -4.201 1.00 0.00 C ATOM 49 C LEU A 5 6.424 -0.976 -2.919 1.00 0.00 C ATOM 50 O LEU A 5 6.902 -1.564 -1.943 1.00 0.00 O ATOM 51 CB LEU A 5 4.996 -2.765 -4.052 1.00 0.00 C ATOM 52 CG LEU A 5 3.701 -2.094 -3.569 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.480 -2.609 -4.336 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.526 -2.263 -2.053 1.00 0.00 C ATOM 0 H LEU A 5 7.954 -2.671 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 5 5.757 -1.011 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.820 -3.259 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.297 -3.537 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 5 3.784 -1.027 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.583 -2.112 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.602 -2.397 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.385 -3.685 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.602 -1.779 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.482 -3.324 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.370 -1.806 -1.536 1.00 0.00 H new ATOM 66 N ILE A 6 6.176 0.326 -2.969 1.00 0.00 N ATOM 67 CA ILE A 6 6.422 1.296 -1.926 1.00 0.00 C ATOM 68 C ILE A 6 5.148 2.120 -1.791 1.00 0.00 C ATOM 69 O ILE A 6 4.254 2.023 -2.635 1.00 0.00 O ATOM 70 CB ILE A 6 7.614 2.180 -2.336 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.391 2.767 -3.747 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.909 1.354 -2.292 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.470 3.745 -4.191 1.00 0.00 C ATOM 0 H ILE A 6 5.769 0.756 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 6 6.668 0.826 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 6 7.700 3.010 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.340 1.949 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.426 3.273 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.751 1.982 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.068 0.980 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.828 0.514 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.240 4.111 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.508 4.585 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.436 3.240 -4.203 1.00 0.00 H new ATOM 85 N MET A 7 5.035 2.932 -0.749 1.00 0.00 N ATOM 86 CA MET A 7 4.129 4.044 -0.756 1.00 0.00 C ATOM 87 C MET A 7 4.942 5.303 -0.547 1.00 0.00 C ATOM 88 O MET A 7 5.967 5.285 0.134 1.00 0.00 O ATOM 89 CB MET A 7 3.000 3.851 0.244 1.00 0.00 C ATOM 90 CG MET A 7 3.382 3.670 1.707 1.00 0.00 C ATOM 91 SD MET A 7 1.953 3.780 2.814 1.00 0.00 S ATOM 92 CE MET A 7 0.831 2.604 2.017 1.00 0.00 C ATOM 0 H MET A 7 5.570 2.830 0.113 1.00 0.00 H new ATOM 0 HA MET A 7 3.618 4.128 -1.715 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.337 4.713 0.173 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.423 2.979 -0.064 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.864 2.701 1.836 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.113 4.429 1.985 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.052 2.310 2.721 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.374 3.071 1.144 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.390 1.722 1.705 1.00 0.00 H new ATOM 102 N CYS A 8 4.513 6.366 -1.208 1.00 0.00 N ATOM 103 CA CYS A 8 5.192 7.639 -1.248 1.00 0.00 C ATOM 104 C CYS A 8 4.274 8.639 -0.618 1.00 0.00 C ATOM 105 O CYS A 8 3.057 8.439 -0.600 1.00 0.00 O ATOM 106 CB CYS A 8 5.485 8.066 -2.678 1.00 0.00 C ATOM 107 SG CYS A 8 6.581 6.989 -3.617 1.00 0.00 S ATOM 0 H CYS A 8 3.649 6.359 -1.750 1.00 0.00 H new ATOM 0 HA CYS A 8 6.144 7.567 -0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.539 8.144 -3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.922 9.064 -2.655 1.00 0.00 H new ATOM 112 N LYS A 9 4.836 9.732 -0.103 1.00 0.00 N ATOM 113 CA LYS A 9 3.949 10.708 0.475 1.00 0.00 C ATOM 114 C LYS A 9 2.989 11.220 -0.613 1.00 0.00 C ATOM 115 O LYS A 9 1.786 11.323 -0.400 1.00 0.00 O ATOM 116 CB LYS A 9 4.690 11.786 1.271 1.00 0.00 C ATOM 117 CG LYS A 9 4.944 13.029 0.434 1.00 0.00 C ATOM 118 CD LYS A 9 5.824 14.038 1.165 1.00 0.00 C ATOM 119 CE LYS A 9 5.854 15.340 0.355 1.00 0.00 C ATOM 120 NZ LYS A 9 6.766 16.326 0.954 1.00 0.00 N ATOM 0 H LYS A 9 5.833 9.946 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 9 3.330 10.241 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.106 12.054 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.640 11.387 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.421 12.744 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.992 13.495 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.434 14.224 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.833 13.643 1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.167 15.127 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.849 15.759 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.763 17.194 0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.452 16.547 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.729 15.935 0.984 1.00 0.00 H new ATOM 134 N ASN A 10 3.553 11.506 -1.790 1.00 0.00 N ATOM 135 CA ASN A 10 2.864 12.040 -2.959 1.00 0.00 C ATOM 136 C ASN A 10 3.153 11.160 -4.150 1.00 0.00 C ATOM 137 O ASN A 10 4.059 10.333 -4.120 1.00 0.00 O ATOM 138 CB ASN A 10 3.305 13.465 -3.306 1.00 0.00 C ATOM 139 CG ASN A 10 4.782 13.589 -3.645 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.640 13.444 -2.779 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.108 13.898 -4.886 1.00 0.00 N ATOM 0 H ASN A 10 4.549 11.363 -1.957 1.00 0.00 H new ATOM 0 HA ASN A 10 1.801 12.061 -2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.717 13.820 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.080 14.119 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.088 14.021 -5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.380 14.014 -5.591 1.00 0.00 H new ATOM 148 N CYS A 11 2.394 11.381 -5.210 1.00 0.00 N ATOM 149 CA CYS A 11 2.362 10.529 -6.389 1.00 0.00 C ATOM 150 C CYS A 11 3.605 10.634 -7.272 1.00 0.00 C ATOM 151 O CYS A 11 3.649 10.042 -8.349 1.00 0.00 O ATOM 152 CB CYS A 11 1.122 10.912 -7.193 1.00 0.00 C ATOM 153 SG CYS A 11 0.709 9.863 -8.603 1.00 0.00 S ATOM 0 H CYS A 11 1.765 12.181 -5.277 1.00 0.00 H new ATOM 0 HA CYS A 11 2.336 9.493 -6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.268 10.922 -6.516 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.254 11.932 -7.555 1.00 0.00 H new ATOM 158 N ASP A 12 4.615 11.404 -6.869 1.00 0.00 N ATOM 159 CA ASP A 12 5.855 11.507 -7.646 1.00 0.00 C ATOM 160 C ASP A 12 6.950 10.648 -7.007 1.00 0.00 C ATOM 161 O ASP A 12 7.548 11.084 -6.024 1.00 0.00 O ATOM 162 CB ASP A 12 6.320 12.958 -7.811 1.00 0.00 C ATOM 163 CG ASP A 12 7.558 13.011 -8.675 1.00 0.00 C ATOM 164 OD1 ASP A 12 7.458 12.682 -9.877 1.00 0.00 O ATOM 165 OD2 ASP A 12 8.616 13.401 -8.145 1.00 0.00 O ATOM 0 H ASP A 12 4.602 11.963 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 12 5.648 11.130 -8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.526 13.553 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.530 13.394 -6.834 1.00 0.00 H new ATOM 170 N PRO A 13 7.237 9.440 -7.525 1.00 0.00 N ATOM 171 CA PRO A 13 8.261 8.580 -6.952 1.00 0.00 C ATOM 172 C PRO A 13 9.634 9.253 -6.925 1.00 0.00 C ATOM 173 O PRO A 13 10.445 8.940 -6.054 1.00 0.00 O ATOM 174 CB PRO A 13 8.279 7.283 -7.769 1.00 0.00 C ATOM 175 CG PRO A 13 7.465 7.605 -9.024 1.00 0.00 C ATOM 176 CD PRO A 13 6.579 8.788 -8.644 1.00 0.00 C ATOM 0 HA PRO A 13 8.025 8.368 -5.909 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.297 6.988 -8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.837 6.457 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.117 7.856 -9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.865 6.749 -9.333 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.464 9.475 -9.483 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.579 8.453 -8.367 1.00 0.00 H new ATOM 184 N ASN A 14 9.905 10.180 -7.848 1.00 0.00 N ATOM 185 CA ASN A 14 11.200 10.840 -7.911 1.00 0.00 C ATOM 186 C ASN A 14 11.429 11.645 -6.636 1.00 0.00 C ATOM 187 O ASN A 14 12.378 11.368 -5.905 1.00 0.00 O ATOM 188 CB ASN A 14 11.307 11.698 -9.183 1.00 0.00 C ATOM 189 CG ASN A 14 12.638 12.423 -9.321 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.264 12.811 -8.344 1.00 0.00 O ATOM 191 ND2 ASN A 14 13.112 12.619 -10.545 1.00 0.00 N ATOM 0 H ASN A 14 9.241 10.486 -8.559 1.00 0.00 H new ATOM 0 HA ASN A 14 11.992 10.094 -7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.159 11.060 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.501 12.432 -9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.004 13.096 -10.676 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.584 12.293 -11.355 1.00 0.00 H new ATOM 198 N THR A 15 10.566 12.613 -6.349 1.00 0.00 N ATOM 199 CA THR A 15 10.777 13.533 -5.231 1.00 0.00 C ATOM 200 C THR A 15 9.896 13.210 -4.028 1.00 0.00 C ATOM 201 O THR A 15 9.802 14.015 -3.097 1.00 0.00 O ATOM 202 CB THR A 15 10.544 14.977 -5.698 1.00 0.00 C ATOM 203 OG1 THR A 15 9.237 15.134 -6.222 1.00 0.00 O ATOM 204 CG2 THR A 15 11.559 15.377 -6.766 1.00 0.00 C ATOM 0 H THR A 15 9.709 12.784 -6.876 1.00 0.00 H new ATOM 0 HA THR A 15 11.809 13.415 -4.900 1.00 0.00 H new ATOM 0 HB THR A 15 10.664 15.622 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.198 14.752 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.372 16.404 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.567 15.300 -6.357 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.464 14.713 -7.625 1.00 0.00 H new ATOM 212 N GLY A 16 9.277 12.038 -4.009 1.00 0.00 N ATOM 213 CA GLY A 16 8.510 11.588 -2.870 1.00 0.00 C ATOM 214 C GLY A 16 9.442 10.891 -1.891 1.00 0.00 C ATOM 215 O GLY A 16 10.226 10.016 -2.270 1.00 0.00 O ATOM 0 H GLY A 16 9.296 11.377 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.021 12.434 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.723 10.906 -3.192 1.00 0.00 H new ATOM 219 N SER A 17 9.327 11.246 -0.613 1.00 0.00 N ATOM 220 CA SER A 17 9.797 10.379 0.445 1.00 0.00 C ATOM 221 C SER A 17 8.915 9.144 0.344 1.00 0.00 C ATOM 222 O SER A 17 7.695 9.269 0.492 1.00 0.00 O ATOM 223 CB SER A 17 9.589 11.063 1.792 1.00 0.00 C ATOM 224 OG SER A 17 8.307 11.674 1.803 1.00 0.00 O ATOM 0 H SER A 17 8.914 12.123 -0.295 1.00 0.00 H new ATOM 0 HA SER A 17 10.857 10.139 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.667 10.336 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.365 11.810 1.959 1.00 0.00 H new ATOM 0 HG SER A 17 7.665 11.097 1.339 1.00 0.00 H new ATOM 230 N CYS A 18 9.510 8.007 0.013 1.00 0.00 N ATOM 231 CA CYS A 18 8.813 6.783 -0.280 1.00 0.00 C ATOM 232 C CYS A 18 9.395 5.714 0.608 1.00 0.00 C ATOM 233 O CYS A 18 10.616 5.706 0.808 1.00 0.00 O ATOM 234 CB CYS A 18 9.057 6.423 -1.739 1.00 0.00 C ATOM 235 SG CYS A 18 8.507 7.548 -3.047 1.00 0.00 S ATOM 0 H CYS A 18 10.524 7.918 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 18 7.741 6.882 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.130 6.280 -1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.583 5.458 -1.920 1.00 0.00 H new ATOM 240 N ASP A 19 8.572 4.838 1.193 1.00 0.00 N ATOM 241 CA ASP A 19 9.167 3.773 1.976 1.00 0.00 C ATOM 242 C ASP A 19 9.734 2.729 1.011 1.00 0.00 C ATOM 243 O ASP A 19 9.154 1.686 0.731 1.00 0.00 O ATOM 244 CB ASP A 19 8.192 3.226 3.037 1.00 0.00 C ATOM 245 CG ASP A 19 6.751 2.936 2.638 1.00 0.00 C ATOM 246 OD1 ASP A 19 6.496 2.490 1.506 1.00 0.00 O ATOM 247 OD2 ASP A 19 5.882 3.209 3.506 1.00 0.00 O ATOM 0 H ASP A 19 7.553 4.846 1.141 1.00 0.00 H new ATOM 0 HA ASP A 19 9.999 4.147 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.617 2.302 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.168 3.940 3.860 1.00 0.00 H new ATOM 252 N TRP A 20 11.017 2.932 0.716 1.00 0.00 N ATOM 253 CA TRP A 20 11.947 2.032 0.069 1.00 0.00 C ATOM 254 C TRP A 20 12.583 1.257 1.211 1.00 0.00 C ATOM 255 O TRP A 20 13.782 1.349 1.479 1.00 0.00 O ATOM 256 CB TRP A 20 12.992 2.820 -0.741 1.00 0.00 C ATOM 257 CG TRP A 20 12.515 3.586 -1.938 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.383 4.927 -2.041 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.156 3.061 -3.243 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.980 5.264 -3.315 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.831 4.148 -4.108 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.055 1.761 -3.771 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.415 3.952 -5.434 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.606 1.548 -5.084 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.283 2.638 -5.912 1.00 0.00 C ATOM 0 H TRP A 20 11.466 3.818 0.950 1.00 0.00 H new ATOM 0 HA TRP A 20 11.463 1.368 -0.647 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.479 3.523 -0.065 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.756 2.118 -1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.566 5.631 -1.243 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.813 6.219 -3.631 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.327 0.915 -3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.201 4.795 -6.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.508 0.541 -5.461 1.00 0.00 H new ATOM 0 HH2 TRP A 20 10.932 2.464 -6.919 1.00 0.00 H new ATOM 276 N LYS A 21 11.728 0.573 1.947 1.00 0.00 N ATOM 277 CA LYS A 21 12.068 -0.401 2.957 1.00 0.00 C ATOM 278 C LYS A 21 11.264 -1.646 2.581 1.00 0.00 C ATOM 279 O LYS A 21 10.391 -1.564 1.714 1.00 0.00 O ATOM 280 CB LYS A 21 11.652 0.165 4.322 1.00 0.00 C ATOM 281 CG LYS A 21 12.845 0.688 5.129 1.00 0.00 C ATOM 282 CD LYS A 21 13.779 -0.461 5.519 1.00 0.00 C ATOM 283 CE LYS A 21 14.699 -0.065 6.674 1.00 0.00 C ATOM 284 NZ LYS A 21 15.436 -1.222 7.214 1.00 0.00 N ATOM 0 H LYS A 21 10.720 0.692 1.847 1.00 0.00 H new ATOM 0 HA LYS A 21 13.131 -0.637 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.936 0.973 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.143 -0.611 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.393 1.425 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.490 1.195 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.188 -1.331 5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.379 -0.752 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.408 0.689 6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.108 0.391 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.048 -0.910 7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.761 -1.931 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.020 -1.643 6.463 1.00 0.00 H new ATOM 298 N GLN A 22 11.525 -2.804 3.193 1.00 0.00 N ATOM 299 CA GLN A 22 10.677 -3.948 2.912 1.00 0.00 C ATOM 300 C GLN A 22 9.279 -3.615 3.413 1.00 0.00 C ATOM 301 O GLN A 22 9.122 -2.959 4.439 1.00 0.00 O ATOM 302 CB GLN A 22 11.209 -5.230 3.563 1.00 0.00 C ATOM 303 CG GLN A 22 10.451 -6.497 3.141 1.00 0.00 C ATOM 304 CD GLN A 22 10.346 -6.617 1.626 1.00 0.00 C ATOM 305 OE1 GLN A 22 11.293 -6.333 0.902 1.00 0.00 O ATOM 306 NE2 GLN A 22 9.161 -6.935 1.123 1.00 0.00 N ATOM 0 H GLN A 22 12.283 -2.965 3.856 1.00 0.00 H new ATOM 0 HA GLN A 22 10.663 -4.141 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.263 -5.346 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.152 -5.127 4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.960 -7.374 3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.451 -6.483 3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.388 -7.168 1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.022 -6.947 0.113 1.00 0.00 H new ATOM 315 N ASN A 23 8.272 -4.075 2.684 1.00 0.00 N ATOM 316 CA ASN A 23 6.884 -3.677 2.903 1.00 0.00 C ATOM 317 C ASN A 23 5.988 -4.903 2.885 1.00 0.00 C ATOM 318 O ASN A 23 5.100 -5.045 3.723 1.00 0.00 O ATOM 319 CB ASN A 23 6.427 -2.628 1.880 1.00 0.00 C ATOM 320 CG ASN A 23 7.151 -1.289 2.021 1.00 0.00 C ATOM 321 OD1 ASN A 23 7.435 -0.837 3.128 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.487 -0.660 0.903 1.00 0.00 N ATOM 0 H ASN A 23 8.393 -4.739 1.919 1.00 0.00 H new ATOM 0 HA ASN A 23 6.810 -3.208 3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.589 -3.017 0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.355 -2.467 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.995 0.223 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.238 -1.060 -0.002 1.00 0.00 H new ATOM 329 N TRP A 24 6.247 -5.853 1.983 1.00 0.00 N ATOM 330 CA TRP A 24 5.394 -7.024 1.800 1.00 0.00 C ATOM 331 C TRP A 24 5.625 -8.075 2.896 1.00 0.00 C ATOM 332 O TRP A 24 5.456 -9.272 2.704 1.00 0.00 O ATOM 333 CB TRP A 24 5.565 -7.518 0.336 1.00 0.00 C ATOM 334 CG TRP A 24 5.698 -8.981 0.009 1.00 0.00 C ATOM 335 CD1 TRP A 24 6.842 -9.544 -0.431 1.00 0.00 C ATOM 336 CD2 TRP A 24 4.716 -10.073 0.050 1.00 0.00 C ATOM 337 NE1 TRP A 24 6.639 -10.881 -0.696 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.342 -11.260 -0.437 1.00 0.00 C ATOM 339 CE3 TRP A 24 3.376 -10.206 0.478 1.00 0.00 C ATOM 340 CZ2 TRP A 24 4.655 -12.477 -0.568 1.00 0.00 C ATOM 341 CZ3 TRP A 24 2.673 -11.415 0.339 1.00 0.00 C ATOM 342 CH2 TRP A 24 3.292 -12.534 -0.237 1.00 0.00 C ATOM 0 H TRP A 24 7.055 -5.830 1.360 1.00 0.00 H new ATOM 0 HA TRP A 24 4.341 -6.774 1.928 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.709 -7.145 -0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.450 -7.023 -0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.780 -9.023 -0.557 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.362 -11.512 -1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.879 -9.357 0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.169 -13.359 -0.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.650 -11.483 0.678 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.724 -13.433 -0.425 1.00 0.00 H new ATOM 353 N ASN A 25 5.933 -7.652 4.117 1.00 0.00 N ATOM 354 CA ASN A 25 6.192 -8.610 5.178 1.00 0.00 C ATOM 355 C ASN A 25 6.231 -7.947 6.538 1.00 0.00 C ATOM 356 O ASN A 25 6.892 -8.453 7.443 1.00 0.00 O ATOM 357 CB ASN A 25 7.484 -9.400 4.881 1.00 0.00 C ATOM 358 CG ASN A 25 7.163 -10.881 4.846 1.00 0.00 C ATOM 359 OD1 ASN A 25 7.127 -11.483 3.781 1.00 0.00 O ATOM 360 ND2 ASN A 25 6.856 -11.480 5.988 1.00 0.00 N ATOM 0 H ASN A 25 6.008 -6.672 4.391 1.00 0.00 H new ATOM 0 HA ASN A 25 5.364 -9.318 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.907 -9.084 3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.234 -9.196 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.583 -12.463 5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.893 -10.958 6.864 1.00 0.00 H new ATOM 367 N THR A 26 5.576 -6.797 6.685 1.00 0.00 N ATOM 368 CA THR A 26 5.741 -5.999 7.884 1.00 0.00 C ATOM 369 C THR A 26 4.524 -5.110 8.127 1.00 0.00 C ATOM 370 O THR A 26 3.852 -4.687 7.188 1.00 0.00 O ATOM 371 CB THR A 26 7.088 -5.250 7.842 1.00 0.00 C ATOM 372 OG1 THR A 26 7.089 -4.124 8.693 1.00 0.00 O ATOM 373 CG2 THR A 26 7.521 -4.825 6.433 1.00 0.00 C ATOM 0 H THR A 26 4.935 -6.406 5.995 1.00 0.00 H new ATOM 0 HA THR A 26 5.788 -6.649 8.757 1.00 0.00 H new ATOM 0 HB THR A 26 7.817 -5.977 8.198 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.959 -3.676 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.477 -4.304 6.488 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.624 -5.708 5.802 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.770 -4.160 6.007 1.00 0.00 H new ATOM 381 N CYS A 27 4.213 -4.880 9.400 1.00 0.00 N ATOM 382 CA CYS A 27 3.108 -4.052 9.841 1.00 0.00 C ATOM 383 C CYS A 27 3.515 -2.575 9.699 1.00 0.00 C ATOM 384 O CYS A 27 3.987 -1.980 10.667 1.00 0.00 O ATOM 385 CB CYS A 27 2.785 -4.419 11.298 1.00 0.00 C ATOM 386 SG CYS A 27 1.266 -3.745 12.022 1.00 0.00 S ATOM 0 H CYS A 27 4.744 -5.280 10.173 1.00 0.00 H new ATOM 0 HA CYS A 27 2.215 -4.216 9.238 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.735 -5.506 11.367 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.622 -4.098 11.918 1.00 0.00 H new ATOM 391 N VAL A 28 3.414 -1.983 8.502 1.00 0.00 N ATOM 392 CA VAL A 28 3.893 -0.628 8.220 1.00 0.00 C ATOM 393 C VAL A 28 2.723 0.367 8.287 1.00 0.00 C ATOM 394 O VAL A 28 1.587 0.019 7.953 1.00 0.00 O ATOM 395 CB VAL A 28 4.595 -0.603 6.851 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.280 0.745 6.601 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.680 -1.680 6.744 1.00 0.00 C ATOM 0 H VAL A 28 2.992 -2.439 7.693 1.00 0.00 H new ATOM 0 HA VAL A 28 4.621 -0.326 8.973 1.00 0.00 H new ATOM 0 HB VAL A 28 3.812 -0.783 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.767 0.730 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.536 1.541 6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.025 0.924 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.150 -1.627 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.432 -1.516 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.231 -2.664 6.878 1.00 0.00 H new ATOM 407 N GLY A 29 2.982 1.590 8.749 1.00 0.00 N ATOM 408 CA GLY A 29 1.980 2.615 8.974 1.00 0.00 C ATOM 409 C GLY A 29 1.650 3.416 7.712 1.00 0.00 C ATOM 410 O GLY A 29 2.362 3.335 6.713 1.00 0.00 O ATOM 0 H GLY A 29 3.926 1.898 8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.069 2.149 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.333 3.296 9.748 1.00 0.00 H new ATOM 414 N ILE A 30 0.591 4.225 7.765 1.00 0.00 N ATOM 415 CA ILE A 30 0.226 5.234 6.780 1.00 0.00 C ATOM 416 C ILE A 30 -0.104 6.496 7.569 1.00 0.00 C ATOM 417 O ILE A 30 -0.839 6.417 8.554 1.00 0.00 O ATOM 418 CB ILE A 30 -1.031 4.828 5.981 1.00 0.00 C ATOM 419 CG1 ILE A 30 -0.936 3.398 5.436 1.00 0.00 C ATOM 420 CG2 ILE A 30 -1.255 5.828 4.831 1.00 0.00 C ATOM 421 CD1 ILE A 30 -2.233 2.946 4.762 1.00 0.00 C ATOM 0 H ILE A 30 -0.069 4.189 8.541 1.00 0.00 H new ATOM 0 HA ILE A 30 1.043 5.368 6.071 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.882 4.852 6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.117 3.338 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.696 2.716 6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.143 5.541 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.393 6.829 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.388 5.823 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.115 1.927 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.049 2.978 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.460 3.610 3.928 1.00 0.00 H new ATOM 433 N GLY A 31 0.370 7.661 7.139 1.00 0.00 N ATOM 434 CA GLY A 31 -0.091 8.929 7.662 1.00 0.00 C ATOM 435 C GLY A 31 0.919 10.013 7.329 1.00 0.00 C ATOM 436 O GLY A 31 1.967 9.744 6.744 1.00 0.00 O ATOM 0 H GLY A 31 1.085 7.746 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.062 9.179 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.225 8.862 8.742 1.00 0.00 H new ATOM 440 N ALA A 32 0.602 11.238 7.717 1.00 0.00 N ATOM 441 CA ALA A 32 1.451 12.408 7.626 1.00 0.00 C ATOM 442 C ALA A 32 1.909 12.709 6.214 1.00 0.00 C ATOM 443 O ALA A 32 3.045 12.434 5.834 1.00 0.00 O ATOM 444 CB ALA A 32 2.595 12.345 8.633 1.00 0.00 C ATOM 0 H ALA A 32 -0.307 11.451 8.127 1.00 0.00 H new ATOM 0 HA ALA A 32 0.837 13.265 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.213 13.238 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.188 12.291 9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.203 11.461 8.439 1.00 0.00 H new ATOM 450 N ASN A 33 1.007 13.325 5.453 1.00 0.00 N ATOM 451 CA ASN A 33 1.200 13.703 4.060 1.00 0.00 C ATOM 452 C ASN A 33 1.235 12.487 3.148 1.00 0.00 C ATOM 453 O ASN A 33 1.512 12.664 1.970 1.00 0.00 O ATOM 454 CB ASN A 33 2.459 14.557 3.831 1.00 0.00 C ATOM 455 CG ASN A 33 2.539 15.758 4.755 1.00 0.00 C ATOM 456 OD1 ASN A 33 3.488 15.909 5.523 1.00 0.00 O ATOM 457 ND2 ASN A 33 1.546 16.634 4.715 1.00 0.00 N ATOM 0 H ASN A 33 0.086 13.584 5.807 1.00 0.00 H new ATOM 0 HA ASN A 33 0.336 14.318 3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.343 13.936 3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.475 14.900 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.560 17.450 5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.767 16.493 4.072 1.00 0.00 H new ATOM 464 N VAL A 34 1.004 11.277 3.668 1.00 0.00 N ATOM 465 CA VAL A 34 1.112 10.056 2.863 1.00 0.00 C ATOM 466 C VAL A 34 -0.260 9.576 2.421 1.00 0.00 C ATOM 467 O VAL A 34 -1.066 9.191 3.269 1.00 0.00 O ATOM 468 CB VAL A 34 1.862 8.947 3.632 1.00 0.00 C ATOM 469 CG1 VAL A 34 1.961 7.641 2.829 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.287 9.348 4.041 1.00 0.00 C ATOM 0 H VAL A 34 0.742 11.117 4.641 1.00 0.00 H new ATOM 0 HA VAL A 34 1.691 10.294 1.971 1.00 0.00 H new ATOM 0 HB VAL A 34 1.260 8.793 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.497 6.894 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.959 7.275 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.497 7.826 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.757 8.524 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.870 9.580 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.247 10.225 4.687 1.00 0.00 H new ATOM 480 N HIS A 35 -0.515 9.544 1.111 1.00 0.00 N ATOM 481 CA HIS A 35 -1.716 8.913 0.583 1.00 0.00 C ATOM 482 C HIS A 35 -1.522 8.241 -0.772 1.00 0.00 C ATOM 483 O HIS A 35 -2.489 8.149 -1.525 1.00 0.00 O ATOM 484 CB HIS A 35 -2.876 9.914 0.572 1.00 0.00 C ATOM 485 CG HIS A 35 -2.767 11.088 -0.367 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.645 11.348 -1.395 1.00 0.00 N ATOM 487 CD2 HIS A 35 -1.992 12.206 -0.199 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.417 12.594 -1.829 1.00 0.00 C ATOM 489 NE2 HIS A 35 -2.391 13.148 -1.158 1.00 0.00 N ATOM 0 H HIS A 35 0.096 9.948 0.401 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.963 8.094 1.259 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.789 9.370 0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.997 10.301 1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.214 12.338 0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.979 13.086 -2.609 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.984 14.070 -1.316 1.00 0.00 H new ATOM 497 N TRP A 36 -0.325 7.747 -1.092 1.00 0.00 N ATOM 498 CA TRP A 36 -0.103 7.127 -2.398 1.00 0.00 C ATOM 499 C TRP A 36 0.722 5.853 -2.297 1.00 0.00 C ATOM 500 O TRP A 36 1.854 5.910 -1.844 1.00 0.00 O ATOM 501 CB TRP A 36 0.581 8.131 -3.314 1.00 0.00 C ATOM 502 CG TRP A 36 -0.250 9.338 -3.593 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.367 10.421 -2.800 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.185 9.550 -4.684 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.194 11.342 -3.395 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.738 10.856 -4.562 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.622 8.762 -5.763 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.635 11.377 -5.504 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.466 9.292 -6.751 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.974 10.595 -6.618 1.00 0.00 C ATOM 0 H TRP A 36 0.490 7.763 -0.479 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.071 6.843 -2.810 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.522 8.443 -2.861 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.828 7.643 -4.257 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.116 10.546 -1.842 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.382 12.271 -3.019 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.303 7.732 -5.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.058 12.362 -5.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.725 8.698 -7.615 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.629 10.997 -7.377 1.00 0.00 H new ATOM 521 N MET A 37 0.194 4.720 -2.755 1.00 0.00 N ATOM 522 CA MET A 37 0.997 3.537 -3.026 1.00 0.00 C ATOM 523 C MET A 37 1.541 3.752 -4.431 1.00 0.00 C ATOM 524 O MET A 37 0.803 4.203 -5.305 1.00 0.00 O ATOM 525 CB MET A 37 0.155 2.260 -2.916 1.00 0.00 C ATOM 526 CG MET A 37 0.975 0.966 -2.939 1.00 0.00 C ATOM 527 SD MET A 37 1.538 0.380 -1.316 1.00 0.00 S ATOM 528 CE MET A 37 -0.029 -0.066 -0.527 1.00 0.00 C ATOM 0 H MET A 37 -0.800 4.599 -2.947 1.00 0.00 H new ATOM 0 HA MET A 37 1.803 3.405 -2.304 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.421 2.296 -1.991 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.561 2.238 -3.737 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.375 0.183 -3.402 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.847 1.118 -3.575 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.163 -0.737 0.310 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.523 0.835 -0.164 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.672 -0.565 -1.252 1.00 0.00 H new ATOM 538 N VAL A 38 2.820 3.485 -4.651 1.00 0.00 N ATOM 539 CA VAL A 38 3.453 3.672 -5.942 1.00 0.00 C ATOM 540 C VAL A 38 4.254 2.397 -6.176 1.00 0.00 C ATOM 541 O VAL A 38 4.948 1.925 -5.277 1.00 0.00 O ATOM 542 CB VAL A 38 4.294 4.965 -5.943 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.566 5.425 -7.378 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.575 6.129 -5.241 1.00 0.00 C ATOM 0 H VAL A 38 3.450 3.130 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 38 2.748 3.814 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 38 5.216 4.723 -5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.160 6.338 -7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.111 4.647 -7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.620 5.617 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.207 7.016 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.635 6.337 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.372 5.859 -4.205 1.00 0.00 H new ATOM 554 N THR A 39 4.090 1.756 -7.326 1.00 0.00 N ATOM 555 CA THR A 39 4.680 0.448 -7.543 1.00 0.00 C ATOM 556 C THR A 39 5.269 0.386 -8.940 1.00 0.00 C ATOM 557 O THR A 39 4.892 1.163 -9.820 1.00 0.00 O ATOM 558 CB THR A 39 3.656 -0.650 -7.203 1.00 0.00 C ATOM 559 OG1 THR A 39 4.105 -1.943 -7.562 1.00 0.00 O ATOM 560 CG2 THR A 39 2.289 -0.416 -7.845 1.00 0.00 C ATOM 0 H THR A 39 3.557 2.120 -8.116 1.00 0.00 H new ATOM 0 HA THR A 39 5.517 0.268 -6.869 1.00 0.00 H new ATOM 0 HB THR A 39 3.549 -0.593 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.043 -2.049 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.613 -1.225 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.882 0.533 -7.498 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.396 -0.390 -8.929 1.00 0.00 H new ATOM 568 N GLY A 40 6.240 -0.503 -9.096 1.00 0.00 N ATOM 569 CA GLY A 40 6.942 -0.772 -10.325 1.00 0.00 C ATOM 570 C GLY A 40 7.008 -2.279 -10.480 1.00 0.00 C ATOM 571 O GLY A 40 6.493 -3.025 -9.640 1.00 0.00 O ATOM 0 H GLY A 40 6.570 -1.081 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.424 -0.320 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.944 -0.343 -10.298 1.00 0.00 H new ATOM 626 N LYS A 46 4.490 -8.221 -11.833 1.00 0.00 N ATOM 627 CA LYS A 46 3.194 -8.675 -11.367 1.00 0.00 C ATOM 628 C LYS A 46 2.628 -7.725 -10.304 1.00 0.00 C ATOM 629 O LYS A 46 3.350 -7.226 -9.437 1.00 0.00 O ATOM 630 CB LYS A 46 3.218 -10.158 -10.979 1.00 0.00 C ATOM 631 CG LYS A 46 3.698 -10.995 -12.177 1.00 0.00 C ATOM 632 CD LYS A 46 3.730 -12.498 -11.876 1.00 0.00 C ATOM 633 CE LYS A 46 4.112 -13.233 -13.170 1.00 0.00 C ATOM 634 NZ LYS A 46 4.304 -14.683 -12.979 1.00 0.00 N ATOM 0 HA LYS A 46 2.482 -8.629 -12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.880 -10.311 -10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.223 -10.481 -10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.041 -10.813 -13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.696 -10.666 -12.468 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.452 -12.714 -11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.757 -12.836 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.334 -13.071 -13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.030 -12.801 -13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.560 -15.122 -13.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.066 -14.844 -12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.422 -15.106 -12.626 1.00 0.00 H new ATOM 648 N GLN A 47 1.340 -7.391 -10.450 1.00 0.00 N ATOM 649 CA GLN A 47 0.602 -6.498 -9.572 1.00 0.00 C ATOM 650 C GLN A 47 0.795 -6.865 -8.108 1.00 0.00 C ATOM 651 O GLN A 47 1.035 -8.031 -7.792 1.00 0.00 O ATOM 652 CB GLN A 47 -0.880 -6.524 -9.962 1.00 0.00 C ATOM 653 CG GLN A 47 -1.576 -7.879 -9.765 1.00 0.00 C ATOM 654 CD GLN A 47 -2.786 -7.959 -10.689 1.00 0.00 C ATOM 655 OE1 GLN A 47 -2.627 -7.964 -11.909 1.00 0.00 O ATOM 656 NE2 GLN A 47 -3.997 -7.991 -10.158 1.00 0.00 N ATOM 0 H GLN A 47 0.769 -7.753 -11.214 1.00 0.00 H new ATOM 0 HA GLN A 47 0.988 -5.486 -9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.408 -5.772 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.971 -6.234 -11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.883 -8.692 -9.982 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.888 -7.994 -8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.110 -7.986 -9.144 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.818 -8.020 -10.762 1.00 0.00 H new ATOM 665 N GLY A 48 0.686 -5.874 -7.227 1.00 0.00 N ATOM 666 CA GLY A 48 0.742 -6.095 -5.795 1.00 0.00 C ATOM 667 C GLY A 48 -0.581 -5.668 -5.191 1.00 0.00 C ATOM 668 O GLY A 48 -1.267 -4.797 -5.736 1.00 0.00 O ATOM 0 H GLY A 48 0.557 -4.897 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.934 -7.146 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.561 -5.525 -5.355 1.00 0.00 H new ATOM 672 N CYS A 49 -0.947 -6.262 -4.062 1.00 0.00 N ATOM 673 CA CYS A 49 -2.091 -5.838 -3.301 1.00 0.00 C ATOM 674 C CYS A 49 -1.735 -5.891 -1.843 1.00 0.00 C ATOM 675 O CYS A 49 -0.909 -6.711 -1.437 1.00 0.00 O ATOM 676 CB CYS A 49 -3.260 -6.799 -3.493 1.00 0.00 C ATOM 677 SG CYS A 49 -3.824 -7.171 -5.156 1.00 0.00 S ATOM 0 H CYS A 49 -0.449 -7.054 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.369 -4.837 -3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.990 -7.743 -3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.109 -6.397 -2.941 1.00 0.00 H new ATOM 682 N ALA A 50 -2.413 -5.066 -1.055 1.00 0.00 N ATOM 683 CA ALA A 50 -2.262 -5.047 0.384 1.00 0.00 C ATOM 684 C ALA A 50 -3.602 -5.106 1.059 1.00 0.00 C ATOM 685 O ALA A 50 -4.577 -4.573 0.544 1.00 0.00 O ATOM 686 CB ALA A 50 -1.487 -3.802 0.831 1.00 0.00 C ATOM 0 H ALA A 50 -3.088 -4.387 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.692 -5.928 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.385 -3.807 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.498 -3.805 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.027 -2.907 0.522 1.00 0.00 H new ATOM 692 N THR A 51 -3.626 -5.698 2.246 1.00 0.00 N ATOM 693 CA THR A 51 -4.706 -5.413 3.148 1.00 0.00 C ATOM 694 C THR A 51 -4.252 -4.127 3.821 1.00 0.00 C ATOM 695 O THR A 51 -3.119 -4.010 4.295 1.00 0.00 O ATOM 696 CB THR A 51 -4.918 -6.562 4.136 1.00 0.00 C ATOM 697 OG1 THR A 51 -5.405 -7.698 3.450 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.947 -6.171 5.200 1.00 0.00 C ATOM 0 H THR A 51 -2.927 -6.357 2.589 1.00 0.00 H new ATOM 0 HA THR A 51 -5.674 -5.303 2.660 1.00 0.00 H new ATOM 0 HB THR A 51 -3.962 -6.783 4.611 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.538 -8.432 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.085 -7.000 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.592 -5.296 5.745 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.897 -5.938 4.719 1.00 0.00 H new ATOM 706 N ILE A 52 -5.121 -3.136 3.763 1.00 0.00 N ATOM 707 CA ILE A 52 -4.970 -1.851 4.390 1.00 0.00 C ATOM 708 C ILE A 52 -5.840 -1.923 5.643 1.00 0.00 C ATOM 709 O ILE A 52 -6.880 -2.589 5.603 1.00 0.00 O ATOM 710 CB ILE A 52 -5.508 -0.796 3.414 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.883 -0.872 2.014 1.00 0.00 C ATOM 712 CG2 ILE A 52 -5.375 0.611 3.978 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.361 -0.767 1.984 1.00 0.00 C ATOM 0 H ILE A 52 -5.997 -3.218 3.247 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.941 -1.597 4.643 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.566 -1.031 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.177 -1.814 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.300 -0.072 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.766 1.330 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.939 0.685 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.324 0.827 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.012 -0.831 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.054 0.187 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.929 -1.582 2.565 1.00 0.00 H new ATOM 725 N TRP A 53 -5.446 -1.259 6.728 1.00 0.00 N ATOM 726 CA TRP A 53 -6.118 -1.335 8.014 1.00 0.00 C ATOM 727 C TRP A 53 -6.427 0.049 8.576 1.00 0.00 C ATOM 728 O TRP A 53 -5.789 1.053 8.235 1.00 0.00 O ATOM 729 CB TRP A 53 -5.257 -2.107 9.018 1.00 0.00 C ATOM 730 CG TRP A 53 -5.361 -3.598 8.981 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.286 -4.339 9.630 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.495 -4.547 8.299 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.045 -5.677 9.407 1.00 0.00 N ATOM 734 CE2 TRP A 53 -4.944 -5.867 8.599 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.389 -4.422 7.435 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.318 -7.009 8.078 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.765 -5.561 6.898 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.229 -6.850 7.209 1.00 0.00 C ATOM 0 H TRP A 53 -4.634 -0.642 6.733 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.061 -1.858 7.855 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.215 -1.834 8.854 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.520 -1.772 10.021 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.091 -3.943 10.231 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.611 -6.433 9.792 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.017 -3.440 7.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.669 -7.996 8.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.918 -5.444 6.238 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.748 -7.717 6.780 1.00 0.00 H new ATOM 749 N GLU A 54 -7.428 0.055 9.456 1.00 0.00 N ATOM 750 CA GLU A 54 -7.998 1.197 10.128 1.00 0.00 C ATOM 751 C GLU A 54 -7.379 1.308 11.527 1.00 0.00 C ATOM 752 O GLU A 54 -7.164 2.410 12.016 1.00 0.00 O ATOM 753 CB GLU A 54 -9.515 0.969 10.113 1.00 0.00 C ATOM 754 CG GLU A 54 -10.377 2.202 10.400 1.00 0.00 C ATOM 755 CD GLU A 54 -10.552 2.452 11.882 1.00 0.00 C ATOM 756 OE1 GLU A 54 -10.686 1.456 12.618 1.00 0.00 O ATOM 757 OE2 GLU A 54 -10.641 3.645 12.248 1.00 0.00 O ATOM 0 H GLU A 54 -7.889 -0.812 9.731 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.789 2.153 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.794 0.573 9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.755 0.202 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.920 3.077 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.356 2.073 9.938 1.00 0.00 H new ATOM 764 N GLY A 55 -7.052 0.192 12.179 1.00 0.00 N ATOM 765 CA GLY A 55 -6.287 0.231 13.416 1.00 0.00 C ATOM 766 C GLY A 55 -4.892 0.786 13.174 1.00 0.00 C ATOM 767 O GLY A 55 -4.278 0.485 12.155 1.00 0.00 O ATOM 0 H GLY A 55 -7.306 -0.746 11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.806 0.848 14.150 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.216 -0.772 13.836 1.00 0.00 H new ATOM 771 N SER A 56 -4.352 1.553 14.116 1.00 0.00 N ATOM 772 CA SER A 56 -3.006 2.106 14.023 1.00 0.00 C ATOM 773 C SER A 56 -1.940 1.055 14.338 1.00 0.00 C ATOM 774 O SER A 56 -1.150 1.225 15.265 1.00 0.00 O ATOM 775 CB SER A 56 -2.888 3.313 14.955 1.00 0.00 C ATOM 776 OG SER A 56 -4.022 4.147 14.808 1.00 0.00 O ATOM 0 H SER A 56 -4.841 1.810 14.973 1.00 0.00 H new ATOM 0 HA SER A 56 -2.832 2.430 12.997 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.803 2.978 15.989 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.981 3.873 14.726 1.00 0.00 H new ATOM 0 HG SER A 56 -3.942 4.917 15.409 1.00 0.00 H new ATOM 782 N GLY A 57 -1.914 -0.032 13.574 1.00 0.00 N ATOM 783 CA GLY A 57 -0.977 -1.112 13.779 1.00 0.00 C ATOM 784 C GLY A 57 -1.513 -2.407 13.194 1.00 0.00 C ATOM 785 O GLY A 57 -1.541 -3.414 13.891 1.00 0.00 O ATOM 0 H GLY A 57 -2.551 -0.182 12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.023 -0.865 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.789 -1.239 14.845 1.00 0.00 H new ATOM 789 N CYS A 58 -1.951 -2.384 11.931 1.00 0.00 N ATOM 790 CA CYS A 58 -2.514 -3.531 11.222 1.00 0.00 C ATOM 791 C CYS A 58 -3.506 -4.328 12.071 1.00 0.00 C ATOM 792 O CYS A 58 -3.505 -5.561 12.036 1.00 0.00 O ATOM 793 CB CYS A 58 -1.450 -4.436 10.570 1.00 0.00 C ATOM 794 SG CYS A 58 -0.204 -5.209 11.634 1.00 0.00 S ATOM 0 H CYS A 58 -1.921 -1.540 11.359 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.084 -3.100 10.399 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.972 -5.232 10.039 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.925 -3.844 9.821 1.00 0.00 H new ATOM 799 N VAL A 59 -4.384 -3.638 12.808 1.00 0.00 N ATOM 800 CA VAL A 59 -5.487 -4.228 13.530 1.00 0.00 C ATOM 801 C VAL A 59 -6.759 -3.504 13.095 1.00 0.00 C ATOM 802 O VAL A 59 -6.699 -2.561 12.308 1.00 0.00 O ATOM 803 CB VAL A 59 -5.214 -4.162 15.042 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.180 -5.220 15.447 1.00 0.00 C ATOM 805 CG2 VAL A 59 -4.774 -2.787 15.563 1.00 0.00 C ATOM 0 H VAL A 59 -4.334 -2.625 12.913 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.611 -5.287 13.303 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.178 -4.363 15.509 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.999 -5.159 16.520 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.558 -6.212 15.198 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.248 -5.042 14.911 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.606 -2.842 16.639 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.851 -2.488 15.066 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.552 -2.053 15.355 1.00 0.00 H new ATOM 815 N GLY A 60 -7.917 -3.935 13.583 1.00 0.00 N ATOM 816 CA GLY A 60 -9.149 -3.209 13.340 1.00 0.00 C ATOM 817 C GLY A 60 -9.702 -3.505 11.953 1.00 0.00 C ATOM 818 O GLY A 60 -9.474 -4.575 11.386 1.00 0.00 O ATOM 0 H GLY A 60 -8.024 -4.779 14.146 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.888 -3.480 14.094 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.969 -2.139 13.441 1.00 0.00 H new ATOM 822 N ARG A 61 -10.467 -2.556 11.429 1.00 0.00 N ATOM 823 CA ARG A 61 -11.195 -2.717 10.184 1.00 0.00 C ATOM 824 C ARG A 61 -10.196 -2.655 9.056 1.00 0.00 C ATOM 825 O ARG A 61 -9.097 -2.133 9.242 1.00 0.00 O ATOM 826 CB ARG A 61 -12.303 -1.659 10.110 1.00 0.00 C ATOM 827 CG ARG A 61 -13.349 -1.948 9.028 1.00 0.00 C ATOM 828 CD ARG A 61 -14.289 -0.744 8.922 1.00 0.00 C ATOM 829 NE ARG A 61 -15.248 -0.894 7.818 1.00 0.00 N ATOM 830 CZ ARG A 61 -16.346 -0.132 7.681 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.552 0.874 8.534 1.00 0.00 N ATOM 832 NH2 ARG A 61 -17.222 -0.380 6.709 1.00 0.00 N ATOM 0 H ARG A 61 -10.599 -1.643 11.864 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.700 -3.680 10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.800 -1.596 11.078 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.853 -0.685 9.919 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.862 -2.133 8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.913 -2.847 9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.831 -0.623 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.703 0.163 8.773 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.070 -1.615 7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.880 1.057 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.382 1.460 8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.061 -1.153 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.053 0.203 6.611 1.00 0.00 H new ATOM 846 N SER A 62 -10.527 -3.278 7.930 1.00 0.00 N ATOM 847 CA SER A 62 -9.596 -3.367 6.841 1.00 0.00 C ATOM 848 C SER A 62 -10.287 -3.394 5.478 1.00 0.00 C ATOM 849 O SER A 62 -11.511 -3.549 5.400 1.00 0.00 O ATOM 850 CB SER A 62 -8.646 -4.551 7.080 1.00 0.00 C ATOM 851 OG SER A 62 -9.114 -5.448 8.083 1.00 0.00 O ATOM 0 H SER A 62 -11.429 -3.722 7.760 1.00 0.00 H new ATOM 0 HA SER A 62 -8.993 -2.459 6.813 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.513 -5.097 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.666 -4.171 7.369 1.00 0.00 H new ATOM 0 HG SER A 62 -8.440 -5.529 8.790 1.00 0.00 H new ATOM 857 N THR A 63 -9.492 -3.233 4.418 1.00 0.00 N ATOM 858 CA THR A 63 -9.913 -3.314 3.018 1.00 0.00 C ATOM 859 C THR A 63 -8.758 -3.928 2.214 1.00 0.00 C ATOM 860 O THR A 63 -7.607 -3.627 2.523 1.00 0.00 O ATOM 861 CB THR A 63 -10.295 -1.896 2.520 1.00 0.00 C ATOM 862 OG1 THR A 63 -11.674 -1.760 2.210 1.00 0.00 O ATOM 863 CG2 THR A 63 -9.506 -1.384 1.309 1.00 0.00 C ATOM 0 H THR A 63 -8.496 -3.034 4.516 1.00 0.00 H new ATOM 0 HA THR A 63 -10.793 -3.946 2.895 1.00 0.00 H new ATOM 0 HB THR A 63 -10.031 -1.286 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.852 -0.846 1.904 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.853 -0.385 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.445 -1.346 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.659 -2.056 0.465 1.00 0.00 H new ATOM 871 N THR A 64 -9.032 -4.735 1.186 1.00 0.00 N ATOM 872 CA THR A 64 -8.019 -5.153 0.224 1.00 0.00 C ATOM 873 C THR A 64 -7.862 -4.021 -0.798 1.00 0.00 C ATOM 874 O THR A 64 -8.849 -3.575 -1.385 1.00 0.00 O ATOM 875 CB THR A 64 -8.369 -6.524 -0.399 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.197 -7.222 -0.779 1.00 0.00 O ATOM 877 CG2 THR A 64 -9.293 -6.466 -1.617 1.00 0.00 C ATOM 0 H THR A 64 -9.961 -5.114 1.001 1.00 0.00 H new ATOM 0 HA THR A 64 -7.055 -5.316 0.706 1.00 0.00 H new ATOM 0 HB THR A 64 -8.909 -7.042 0.394 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.443 -8.087 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.479 -7.476 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.238 -6.002 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.821 -5.878 -2.404 1.00 0.00 H new ATOM 885 N MET A 65 -6.651 -3.501 -0.964 1.00 0.00 N ATOM 886 CA MET A 65 -6.302 -2.456 -1.911 1.00 0.00 C ATOM 887 C MET A 65 -5.295 -3.019 -2.918 1.00 0.00 C ATOM 888 O MET A 65 -4.136 -3.231 -2.560 1.00 0.00 O ATOM 889 CB MET A 65 -5.713 -1.298 -1.102 1.00 0.00 C ATOM 890 CG MET A 65 -5.587 0.008 -1.888 1.00 0.00 C ATOM 891 SD MET A 65 -6.705 1.320 -1.351 1.00 0.00 S ATOM 892 CE MET A 65 -8.286 0.553 -1.756 1.00 0.00 C ATOM 0 H MET A 65 -5.850 -3.813 -0.415 1.00 0.00 H new ATOM 0 HA MET A 65 -7.165 -2.101 -2.474 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.339 -1.124 -0.227 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.727 -1.587 -0.737 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.561 0.367 -1.808 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.771 -0.199 -2.942 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.095 1.250 -1.538 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.304 0.295 -2.815 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.415 -0.350 -1.160 1.00 0.00 H new ATOM 902 N CYS A 66 -5.701 -3.245 -4.167 1.00 0.00 N ATOM 903 CA CYS A 66 -4.872 -3.874 -5.199 1.00 0.00 C ATOM 904 C CYS A 66 -4.469 -2.871 -6.271 1.00 0.00 C ATOM 905 O CYS A 66 -5.285 -2.024 -6.641 1.00 0.00 O ATOM 906 CB CYS A 66 -5.657 -4.958 -5.928 1.00 0.00 C ATOM 907 SG CYS A 66 -5.810 -6.556 -5.135 1.00 0.00 S ATOM 0 H CYS A 66 -6.632 -2.992 -4.498 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.998 -4.277 -4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.662 -4.578 -6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.192 -5.111 -6.902 1.00 0.00 H new ATOM 912 N CYS A 67 -3.258 -2.994 -6.821 1.00 0.00 N ATOM 913 CA CYS A 67 -2.726 -2.080 -7.835 1.00 0.00 C ATOM 914 C CYS A 67 -1.692 -2.729 -8.774 1.00 0.00 C ATOM 915 O CYS A 67 -0.831 -3.469 -8.288 1.00 0.00 O ATOM 916 CB CYS A 67 -2.068 -0.914 -7.108 1.00 0.00 C ATOM 917 SG CYS A 67 -1.831 0.539 -8.142 1.00 0.00 S ATOM 0 H CYS A 67 -2.611 -3.742 -6.571 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.558 -1.765 -8.464 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.680 -0.642 -6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.101 -1.237 -6.722 1.00 0.00 H new ATOM 922 N PRO A 68 -1.744 -2.483 -10.099 1.00 0.00 N ATOM 923 CA PRO A 68 -0.774 -3.023 -11.043 1.00 0.00 C ATOM 924 C PRO A 68 0.622 -2.443 -10.862 1.00 0.00 C ATOM 925 O PRO A 68 0.807 -1.372 -10.293 1.00 0.00 O ATOM 926 CB PRO A 68 -1.295 -2.743 -12.448 1.00 0.00 C ATOM 927 CG PRO A 68 -2.362 -1.664 -12.260 1.00 0.00 C ATOM 928 CD PRO A 68 -2.813 -1.796 -10.804 1.00 0.00 C ATOM 0 HA PRO A 68 -0.670 -4.093 -10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.496 -2.399 -13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.716 -3.641 -12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.958 -0.671 -12.459 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.196 -1.811 -12.946 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.999 -0.816 -10.366 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.745 -2.357 -10.736 1.00 0.00 H new ATOM 936 N ALA A 69 1.610 -3.174 -11.375 1.00 0.00 N ATOM 937 CA ALA A 69 2.993 -3.037 -10.936 1.00 0.00 C ATOM 938 C ALA A 69 3.759 -1.962 -11.682 1.00 0.00 C ATOM 939 O ALA A 69 4.845 -2.214 -12.188 1.00 0.00 O ATOM 940 CB ALA A 69 3.692 -4.372 -11.208 1.00 0.00 C ATOM 0 H ALA A 69 1.473 -3.875 -12.104 1.00 0.00 H new ATOM 0 HA ALA A 69 2.979 -2.758 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.733 -4.309 -10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.191 -5.165 -10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.650 -4.594 -12.274 1.00 0.00 H new ATOM 946 N ASN A 70 3.232 -0.752 -11.720 1.00 0.00 N ATOM 947 CA ASN A 70 3.655 0.282 -12.669 1.00 0.00 C ATOM 948 C ASN A 70 2.522 1.271 -12.831 1.00 0.00 C ATOM 949 O ASN A 70 2.106 1.601 -13.940 1.00 0.00 O ATOM 950 CB ASN A 70 4.102 -0.268 -14.039 1.00 0.00 C ATOM 951 CG ASN A 70 3.179 -1.355 -14.590 1.00 0.00 C ATOM 952 OD1 ASN A 70 3.494 -2.541 -14.592 1.00 0.00 O ATOM 953 ND2 ASN A 70 1.994 -0.976 -15.020 1.00 0.00 N ATOM 0 H ASN A 70 2.490 -0.448 -11.090 1.00 0.00 H new ATOM 0 HA ASN A 70 4.541 0.765 -12.257 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.150 0.554 -14.754 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.111 -0.671 -13.948 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.328 -1.671 -15.359 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.741 0.012 -15.014 1.00 0.00 H new ATOM 960 N THR A 71 2.010 1.747 -11.704 1.00 0.00 N ATOM 961 CA THR A 71 1.157 2.905 -11.664 1.00 0.00 C ATOM 962 C THR A 71 1.264 3.490 -10.259 1.00 0.00 C ATOM 963 O THR A 71 1.803 2.858 -9.343 1.00 0.00 O ATOM 964 CB THR A 71 -0.261 2.510 -12.108 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.969 3.611 -12.643 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.088 1.870 -10.997 1.00 0.00 C ATOM 0 H THR A 71 2.182 1.330 -10.789 1.00 0.00 H new ATOM 0 HA THR A 71 1.456 3.688 -12.361 1.00 0.00 H new ATOM 0 HB THR A 71 -0.114 1.760 -12.885 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.865 3.322 -12.916 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.077 1.616 -11.379 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.591 0.965 -10.648 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.188 2.571 -10.168 1.00 0.00 H new ATOM 974 N CYS A 72 0.753 4.703 -10.115 1.00 0.00 N ATOM 975 CA CYS A 72 0.609 5.430 -8.870 1.00 0.00 C ATOM 976 C CYS A 72 -0.858 5.349 -8.459 1.00 0.00 C ATOM 977 O CYS A 72 -1.745 5.611 -9.278 1.00 0.00 O ATOM 978 CB CYS A 72 1.004 6.877 -9.119 1.00 0.00 C ATOM 979 SG CYS A 72 0.590 7.956 -7.763 1.00 0.00 S ATOM 0 H CYS A 72 0.408 5.235 -10.914 1.00 0.00 H new ATOM 0 HA CYS A 72 1.238 5.015 -8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.077 6.928 -9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.509 7.232 -10.023 1.00 0.00 H new ATOM 984 N CYS A 73 -1.124 4.917 -7.230 1.00 0.00 N ATOM 985 CA CYS A 73 -2.416 4.461 -6.741 1.00 0.00 C ATOM 986 C CYS A 73 -2.794 5.353 -5.561 1.00 0.00 C ATOM 987 O CYS A 73 -2.052 5.398 -4.583 1.00 0.00 O ATOM 988 CB CYS A 73 -2.328 2.988 -6.281 1.00 0.00 C ATOM 989 SG CYS A 73 -0.956 1.955 -6.878 1.00 0.00 S ATOM 0 H CYS A 73 -0.402 4.874 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.166 4.520 -7.530 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.291 2.986 -5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.258 2.498 -6.569 1.00 0.00 H new ATOM 994 N ASN A 74 -3.911 6.087 -5.631 1.00 0.00 N ATOM 995 CA ASN A 74 -4.308 7.006 -4.558 1.00 0.00 C ATOM 996 C ASN A 74 -5.015 6.253 -3.439 1.00 0.00 C ATOM 997 O ASN A 74 -6.016 5.576 -3.687 1.00 0.00 O ATOM 998 CB ASN A 74 -5.250 8.104 -5.062 1.00 0.00 C ATOM 999 CG ASN A 74 -5.481 9.135 -3.957 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.717 9.369 -3.549 1.00 0.00 O flip ATOM 1001 ND2 ASN A 74 -4.543 9.716 -3.428 1.00 0.00 N flip ATOM 0 H ASN A 74 -4.556 6.062 -6.420 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.391 7.464 -4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.822 8.588 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.200 7.668 -5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.589 9.536 -3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.715 10.380 -2.673 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.510 6.335 -2.215 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.052 5.660 -1.051 1.00 0.00 C ATOM 1010 C ILE A 75 -6.016 6.645 -0.411 1.00 0.00 C ATOM 1011 O ILE A 75 -5.650 7.425 0.466 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.908 5.196 -0.126 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.251 3.921 -0.658 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.367 4.832 1.284 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.724 4.128 -2.061 1.00 0.00 C ATOM 0 H ILE A 75 -3.683 6.893 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.593 4.746 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.230 6.049 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.435 3.626 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.975 3.106 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.508 4.515 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.829 5.701 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.092 4.019 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.262 3.207 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.547 4.399 -2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.983 4.927 -2.057 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.257 6.636 -0.884 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.371 7.283 -0.210 1.00 0.00 C ATOM 1029 C ASN A 76 -9.460 6.232 -0.156 1.00 0.00 C ATOM 1030 O ASN A 76 -10.313 6.154 -1.041 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.813 8.567 -0.922 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.069 9.781 -0.376 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -6.758 9.849 -0.557 1.00 0.00 O flip ATOM 1034 ND2 ASN A 76 -8.664 10.662 0.238 1.00 0.00 N flip ATOM 0 H ASN A 76 -7.518 6.174 -1.755 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.101 7.621 0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.629 8.475 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.886 8.707 -0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.673 10.598 0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.149 11.458 0.615 1.00 0.00 H new ATOM 1041 N THR A 77 -9.369 5.379 0.858 1.00 0.00 N ATOM 1042 CA THR A 77 -10.270 4.273 1.085 1.00 0.00 C ATOM 1043 C THR A 77 -11.604 4.821 1.594 1.00 0.00 C ATOM 1044 O THR A 77 -11.752 6.029 1.790 1.00 0.00 O ATOM 1045 CB THR A 77 -9.590 3.369 2.125 1.00 0.00 C ATOM 1046 OG1 THR A 77 -8.933 4.160 3.099 1.00 0.00 O ATOM 1047 CG2 THR A 77 -8.509 2.511 1.466 1.00 0.00 C ATOM 0 H THR A 77 -8.637 5.448 1.565 1.00 0.00 H new ATOM 0 HA THR A 77 -10.476 3.704 0.179 1.00 0.00 H new ATOM 0 HB THR A 77 -10.365 2.746 2.572 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.595 4.686 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.039 1.878 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.960 1.886 0.696 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.757 3.157 1.014 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.575 3.948 1.850 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.861 4.380 2.378 1.00 0.00 C ATOM 1057 C GLY A 78 -13.725 5.128 3.709 1.00 0.00 C ATOM 1058 O GLY A 78 -14.543 5.990 4.028 1.00 0.00 O ATOM 0 H GLY A 78 -12.494 2.942 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.351 5.026 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.504 3.511 2.517 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.700 4.775 4.484 1.00 0.00 N ATOM 1063 CA PHE A 79 -12.398 5.269 5.817 1.00 0.00 C ATOM 1064 C PHE A 79 -11.044 5.941 5.812 1.00 0.00 C ATOM 1065 O PHE A 79 -10.298 5.873 4.828 1.00 0.00 O ATOM 1066 CB PHE A 79 -12.396 4.085 6.798 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.571 2.894 6.327 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -12.068 2.030 5.332 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.230 2.773 6.731 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -11.187 1.195 4.625 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -9.349 1.932 6.035 1.00 0.00 C ATOM 1072 CZ PHE A 79 -9.817 1.176 4.950 1.00 0.00 C ATOM 0 H PHE A 79 -12.014 4.088 4.170 1.00 0.00 H new ATOM 0 HA PHE A 79 -13.150 5.995 6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.011 4.424 7.760 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.423 3.760 6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.125 2.009 5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.875 3.332 7.584 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.561 0.566 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.313 1.867 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.129 0.582 4.366 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.727 6.596 6.926 1.00 0.00 N ATOM 1083 CA TYR A 80 -9.413 7.171 7.071 1.00 0.00 C ATOM 1084 C TYR A 80 -8.420 6.041 7.341 1.00 0.00 C ATOM 1085 O TYR A 80 -8.641 5.222 8.231 1.00 0.00 O ATOM 1086 CB TYR A 80 -9.393 8.180 8.222 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.999 8.670 8.565 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -7.155 9.141 7.542 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -7.474 8.454 9.854 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -5.795 9.366 7.797 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -6.113 8.696 10.113 1.00 0.00 C ATOM 1092 CZ TYR A 80 -5.273 9.139 9.080 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.960 9.394 9.330 1.00 0.00 O ATOM 0 H TYR A 80 -11.353 6.735 7.719 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.139 7.699 6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.016 9.034 7.958 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.837 7.722 9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.556 9.330 6.557 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.118 8.102 10.646 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.148 9.714 7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.715 8.541 11.105 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.759 9.185 10.266 1.00 0.00 H new ATOM 1103 N ILE A 81 -7.295 6.046 6.644 1.00 0.00 N ATOM 1104 CA ILE A 81 -6.320 4.968 6.685 1.00 0.00 C ATOM 1105 C ILE A 81 -5.462 5.065 7.938 1.00 0.00 C ATOM 1106 O ILE A 81 -5.370 6.131 8.544 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.434 4.953 5.425 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.485 6.218 4.546 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.708 3.680 4.631 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.708 6.266 3.614 1.00 0.00 C ATOM 0 H ILE A 81 -7.030 6.811 6.024 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.873 4.029 6.712 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.404 4.958 5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.493 7.098 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.577 6.271 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.083 3.666 3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.480 2.810 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.758 3.652 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.681 7.182 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.691 5.405 2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.621 6.245 4.210 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.855 3.952 8.351 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.814 3.988 9.365 1.00 0.00 C ATOM 1124 C ARG A 82 -2.607 3.106 9.071 1.00 0.00 C ATOM 1125 O ARG A 82 -1.485 3.497 9.378 1.00 0.00 O ATOM 1126 CB ARG A 82 -4.439 3.727 10.732 1.00 0.00 C ATOM 1127 CG ARG A 82 -4.354 4.986 11.605 1.00 0.00 C ATOM 1128 CD ARG A 82 -5.619 5.139 12.442 1.00 0.00 C ATOM 1129 NE ARG A 82 -6.764 5.476 11.580 1.00 0.00 N ATOM 1130 CZ ARG A 82 -8.038 5.178 11.874 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -8.385 4.771 13.094 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -8.983 5.264 10.943 1.00 0.00 N ATOM 0 H ARG A 82 -5.069 3.020 7.997 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.383 4.989 9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.481 3.429 10.612 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.925 2.900 11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.483 4.925 12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.219 5.865 10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.821 4.213 12.981 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.476 5.919 13.190 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.577 5.966 10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.677 4.682 13.823 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.359 4.549 13.300 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.741 5.558 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.950 5.036 11.175 1.00 0.00 H new ATOM 1146 N SER A 83 -2.817 1.900 8.553 1.00 0.00 N ATOM 1147 CA SER A 83 -1.716 0.950 8.365 1.00 0.00 C ATOM 1148 C SER A 83 -1.905 0.035 7.143 1.00 0.00 C ATOM 1149 O SER A 83 -2.977 0.059 6.539 1.00 0.00 O ATOM 1150 CB SER A 83 -1.533 0.193 9.680 1.00 0.00 C ATOM 1151 OG SER A 83 -2.756 -0.297 10.189 1.00 0.00 O ATOM 0 H SER A 83 -3.730 1.555 8.257 1.00 0.00 H new ATOM 0 HA SER A 83 -0.798 1.488 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.846 -0.639 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.074 0.853 10.416 1.00 0.00 H new ATOM 0 HG SER A 83 -3.056 0.275 10.926 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.885 -0.741 6.738 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.975 -1.653 5.595 1.00 0.00 C ATOM 1159 C TYR A 84 0.036 -2.791 5.666 1.00 0.00 C ATOM 1160 O TYR A 84 1.083 -2.647 6.296 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.734 -0.907 4.281 1.00 0.00 C ATOM 1162 CG TYR A 84 0.707 -0.500 4.014 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.295 0.580 4.698 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.482 -1.250 3.110 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.621 0.954 4.416 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.820 -0.903 2.873 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.387 0.217 3.502 1.00 0.00 C ATOM 1168 OH TYR A 84 4.675 0.573 3.223 1.00 0.00 O ATOM 0 H TYR A 84 0.025 -0.750 7.198 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.982 -2.068 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.074 -1.536 3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.354 -0.010 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.728 1.122 5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.045 -2.095 2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.052 1.814 4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.418 -1.501 2.202 1.00 0.00 H new ATOM 0 HH TYR A 84 4.817 1.510 3.474 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.235 -3.891 4.963 1.00 0.00 N ATOM 1179 CA ARG A 85 0.755 -4.928 4.695 1.00 0.00 C ATOM 1180 C ARG A 85 0.308 -5.692 3.441 1.00 0.00 C ATOM 1181 O ARG A 85 -0.882 -5.981 3.296 1.00 0.00 O ATOM 1182 CB ARG A 85 0.921 -5.811 5.948 1.00 0.00 C ATOM 1183 CG ARG A 85 2.117 -6.766 5.902 1.00 0.00 C ATOM 1184 CD ARG A 85 1.838 -7.976 5.014 1.00 0.00 C ATOM 1185 NE ARG A 85 2.328 -9.233 5.606 1.00 0.00 N ATOM 1186 CZ ARG A 85 2.839 -10.263 4.913 1.00 0.00 C ATOM 1187 NH1 ARG A 85 2.693 -10.307 3.594 1.00 0.00 N ATOM 1188 NH2 ARG A 85 3.537 -11.219 5.525 1.00 0.00 N ATOM 0 H ARG A 85 -1.153 -4.086 4.563 1.00 0.00 H new ATOM 0 HA ARG A 85 1.743 -4.516 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.022 -5.165 6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.012 -6.395 6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.993 -6.235 5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.354 -7.102 6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.765 -8.054 4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.310 -7.827 4.043 1.00 0.00 H new ATOM 0 HE ARG A 85 2.275 -9.328 6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.194 -9.560 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.080 -11.088 3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.689 -11.174 6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.919 -11.996 4.986 1.00 0.00 H new ATOM 1202 N ARG A 86 1.228 -5.975 2.507 1.00 0.00 N ATOM 1203 CA ARG A 86 0.863 -6.672 1.275 1.00 0.00 C ATOM 1204 C ARG A 86 0.283 -8.060 1.546 1.00 0.00 C ATOM 1205 O ARG A 86 0.746 -8.753 2.448 1.00 0.00 O ATOM 1206 CB ARG A 86 2.006 -6.833 0.284 1.00 0.00 C ATOM 1207 CG ARG A 86 2.426 -5.541 -0.426 1.00 0.00 C ATOM 1208 CD ARG A 86 2.346 -5.738 -1.946 1.00 0.00 C ATOM 1209 NE ARG A 86 3.091 -6.921 -2.408 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.026 -6.986 -3.361 1.00 0.00 C ATOM 1211 NH1 ARG A 86 4.314 -5.933 -4.124 1.00 0.00 N ATOM 1212 NH2 ARG A 86 4.687 -8.119 -3.537 1.00 0.00 N ATOM 0 H ARG A 86 2.216 -5.734 2.583 1.00 0.00 H new ATOM 0 HA ARG A 86 0.111 -6.022 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.870 -7.240 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.716 -7.567 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.778 -4.720 -0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.441 -5.269 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.301 -5.834 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.737 -4.851 -2.444 1.00 0.00 H new ATOM 0 HE ARG A 86 2.866 -7.800 -1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.817 -5.053 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.032 -6.007 -4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.480 -8.927 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.403 -8.184 -4.260 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.653 -8.494 0.711 1.00 0.00 N ATOM 1227 CA VAL A 87 -1.187 -9.846 0.693 1.00 0.00 C ATOM 1228 C VAL A 87 -0.700 -10.638 -0.528 1.00 0.00 C ATOM 1229 O VAL A 87 -0.899 -11.854 -0.564 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.721 -9.807 0.797 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -3.141 -9.572 2.251 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -3.360 -8.751 -0.111 1.00 0.00 C ATOM 0 H VAL A 87 -1.074 -7.892 0.004 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.807 -10.380 1.564 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.084 -10.776 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.229 -9.546 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.760 -10.380 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.734 -8.622 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.443 -8.775 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.986 -7.764 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.106 -8.962 -1.150 1.00 0.00 H new ATOM 1242 N GLU A 88 -0.053 -9.986 -1.497 1.00 0.00 N ATOM 1243 CA GLU A 88 0.596 -10.647 -2.616 1.00 0.00 C ATOM 1244 C GLU A 88 1.727 -9.740 -3.110 1.00 0.00 C ATOM 1245 CB GLU A 88 -0.438 -11.026 -3.695 1.00 0.00 C ATOM 1246 CG GLU A 88 -1.585 -10.023 -3.882 1.00 0.00 C ATOM 1247 CD GLU A 88 -2.511 -10.458 -4.998 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -3.446 -11.238 -4.715 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -2.294 -10.044 -6.153 1.00 0.00 O ATOM 0 H GLU A 88 0.032 -8.970 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 88 1.044 -11.595 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.080 -11.143 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.863 -11.997 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.148 -9.931 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.178 -9.037 -4.106 1.00 0.00 H new