USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 GLN : amide:sc= 1.05 K(o=1.1,f=-0.15) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.926 K(o=1.8,f=-6.3!) USER MOD Set 2.2: A 93 LYS NZ :NH3+ -147:sc= 0.861 (180deg=-0.496) USER MOD Set 3.1: A 82 GLN : amide:sc= 0 X(o=0,f=0.053) USER MOD Set 3.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 74 THR OG1 : rot -64:sc= 0.985 USER MOD Set 4.2: A 85 THR OG1 : rot 180:sc= 0.851 USER MOD Set 5.1: A 20 ASN : amide:sc= 0.942 K(o=2.9,f=-2.1) USER MOD Set 5.2: A 44 LYS NZ :NH3+ -147:sc= 1.99 (180deg=1.19) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.977 K(o=0.98,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.552 USER MOD Single : A 17 CYS SG : rot 62:sc= 0.191 USER MOD Single : A 22 SER OG : rot 13:sc= 0.262 USER MOD Single : A 26 ASN : amide:sc= 2.17 K(o=2.2,f=-7.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00673 USER MOD Single : A 34 SER OG : rot -46:sc= 0.115 USER MOD Single : A 35 LYS NZ :NH3+ -143:sc= 0.0644 (180deg=0) USER MOD Single : A 39 MET CE :methyl -145:sc= -0.0272 (180deg=-2.83) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.11 K(o=2.1,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.09) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.0959 X(o=0.096,f=-0.13) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -9:sc= 0.0161 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0992) USER MOD Single : A 86 MET CE :methyl -168:sc=-0.00254 (180deg=-0.32) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.116 14.934 -8.642 1.00 0.00 N ATOM 2 CA CYS A 2 -0.638 15.406 -9.931 1.00 0.00 C ATOM 3 C CYS A 2 0.781 14.893 -10.274 1.00 0.00 C ATOM 4 O CYS A 2 1.403 15.335 -11.247 1.00 0.00 O ATOM 5 CB CYS A 2 -0.840 16.949 -10.021 1.00 0.00 C ATOM 6 SG CYS A 2 -0.766 17.917 -8.447 1.00 0.00 S ATOM 0 HA CYS A 2 -1.240 14.968 -10.728 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.083 17.348 -10.696 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.809 17.134 -10.484 1.00 0.00 H new ATOM 11 N GLY A 3 1.303 13.957 -9.471 1.00 0.00 N ATOM 12 CA GLY A 3 2.642 13.360 -9.566 1.00 0.00 C ATOM 13 C GLY A 3 3.731 14.321 -9.082 1.00 0.00 C ATOM 14 O GLY A 3 4.679 13.896 -8.427 1.00 0.00 O ATOM 0 H GLY A 3 0.770 13.573 -8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.675 12.446 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.841 13.077 -10.600 1.00 0.00 H new ATOM 18 N ASP A 4 3.559 15.628 -9.299 1.00 0.00 N ATOM 19 CA ASP A 4 4.417 16.654 -8.698 1.00 0.00 C ATOM 20 C ASP A 4 4.218 16.677 -7.163 1.00 0.00 C ATOM 21 O ASP A 4 5.089 17.168 -6.439 1.00 0.00 O ATOM 22 CB ASP A 4 4.132 18.023 -9.327 1.00 0.00 C ATOM 23 CG ASP A 4 4.784 18.170 -10.712 1.00 0.00 C ATOM 24 OD1 ASP A 4 6.036 18.185 -10.794 1.00 0.00 O ATOM 25 OD2 ASP A 4 4.056 18.302 -11.727 1.00 0.00 O ATOM 0 H ASP A 4 2.822 16.005 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 4 5.461 16.413 -8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.055 18.163 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.501 18.808 -8.668 1.00 0.00 H new ATOM 30 N CYS A 5 3.107 16.101 -6.669 1.00 0.00 N ATOM 31 CA CYS A 5 2.788 15.929 -5.256 1.00 0.00 C ATOM 32 C CYS A 5 3.814 15.039 -4.510 1.00 0.00 C ATOM 33 O CYS A 5 3.970 15.163 -3.294 1.00 0.00 O ATOM 34 CB CYS A 5 1.402 15.252 -5.095 1.00 0.00 C ATOM 35 SG CYS A 5 -0.027 16.181 -5.745 1.00 0.00 S ATOM 0 H CYS A 5 2.379 15.729 -7.279 1.00 0.00 H new ATOM 0 HA CYS A 5 2.802 16.930 -4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.435 14.282 -5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.234 15.062 -4.035 1.00 0.00 H new ATOM 40 N VAL A 6 4.490 14.116 -5.211 1.00 0.00 N ATOM 41 CA VAL A 6 5.415 13.126 -4.624 1.00 0.00 C ATOM 42 C VAL A 6 6.879 13.409 -5.018 1.00 0.00 C ATOM 43 O VAL A 6 7.172 13.749 -6.166 1.00 0.00 O ATOM 44 CB VAL A 6 4.992 11.680 -4.983 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.531 11.400 -4.596 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.137 11.269 -6.453 1.00 0.00 C ATOM 0 H VAL A 6 4.409 14.033 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 6 5.354 13.224 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 6 5.703 11.091 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.273 10.375 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.407 11.536 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.875 12.090 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.809 10.237 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.524 11.921 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.181 11.357 -6.754 1.00 0.00 H new ATOM 56 N GLU A 7 7.822 13.265 -4.083 1.00 0.00 N ATOM 57 CA GLU A 7 9.266 13.453 -4.318 1.00 0.00 C ATOM 58 C GLU A 7 9.815 12.395 -5.298 1.00 0.00 C ATOM 59 O GLU A 7 10.624 12.717 -6.174 1.00 0.00 O ATOM 60 CB GLU A 7 10.019 13.464 -2.971 1.00 0.00 C ATOM 61 CG GLU A 7 11.542 13.499 -3.110 1.00 0.00 C ATOM 62 CD GLU A 7 12.231 13.798 -1.765 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.416 14.993 -1.425 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.622 12.842 -1.051 1.00 0.00 O ATOM 0 H GLU A 7 7.604 13.009 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 7 9.428 14.420 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.697 14.331 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.737 12.579 -2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.894 12.542 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.823 14.258 -3.840 1.00 0.00 H new ATOM 71 N LYS A 8 9.329 11.150 -5.190 1.00 0.00 N ATOM 72 CA LYS A 8 9.627 10.014 -6.073 1.00 0.00 C ATOM 73 C LYS A 8 8.335 9.253 -6.374 1.00 0.00 C ATOM 74 O LYS A 8 7.475 9.112 -5.503 1.00 0.00 O ATOM 75 CB LYS A 8 10.647 9.068 -5.410 1.00 0.00 C ATOM 76 CG LYS A 8 12.054 9.679 -5.315 1.00 0.00 C ATOM 77 CD LYS A 8 13.053 8.691 -4.702 1.00 0.00 C ATOM 78 CE LYS A 8 14.436 9.346 -4.601 1.00 0.00 C ATOM 79 NZ LYS A 8 15.441 8.421 -4.011 1.00 0.00 N ATOM 0 H LYS A 8 8.682 10.895 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 8 10.056 10.390 -7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.300 8.811 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.697 8.139 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.393 9.972 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.019 10.585 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.713 8.383 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.111 7.791 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.765 9.656 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.368 10.247 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.363 8.898 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.139 8.145 -3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.524 7.572 -4.607 1.00 0.00 H new ATOM 93 N GLU A 9 8.213 8.738 -7.594 1.00 0.00 N ATOM 94 CA GLU A 9 7.084 7.904 -8.026 1.00 0.00 C ATOM 95 C GLU A 9 7.312 6.457 -7.558 1.00 0.00 C ATOM 96 O GLU A 9 8.346 5.865 -7.877 1.00 0.00 O ATOM 97 CB GLU A 9 6.973 7.935 -9.564 1.00 0.00 C ATOM 98 CG GLU A 9 6.286 9.196 -10.099 1.00 0.00 C ATOM 99 CD GLU A 9 6.856 9.603 -11.472 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.333 9.140 -12.516 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.834 10.388 -11.519 1.00 0.00 O ATOM 0 H GLU A 9 8.906 8.888 -8.327 1.00 0.00 H new ATOM 0 HA GLU A 9 6.162 8.289 -7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.972 7.864 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.419 7.058 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.214 9.020 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.419 10.014 -9.391 1.00 0.00 H new ATOM 108 N TYR A 10 6.355 5.886 -6.816 1.00 0.00 N ATOM 109 CA TYR A 10 6.410 4.514 -6.276 1.00 0.00 C ATOM 110 C TYR A 10 7.765 4.166 -5.619 1.00 0.00 C ATOM 111 O TYR A 10 8.449 3.229 -6.052 1.00 0.00 O ATOM 112 CB TYR A 10 5.982 3.484 -7.337 1.00 0.00 C ATOM 113 CG TYR A 10 4.624 3.704 -7.985 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.437 4.738 -8.927 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.539 2.870 -7.643 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.174 4.960 -9.497 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.267 3.097 -8.207 1.00 0.00 C ATOM 118 CZ TYR A 10 2.081 4.141 -9.140 1.00 0.00 C ATOM 119 OH TYR A 10 0.857 4.370 -9.689 1.00 0.00 O ATOM 0 H TYR A 10 5.496 6.376 -6.566 1.00 0.00 H new ATOM 0 HA TYR A 10 5.686 4.468 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.737 3.470 -8.123 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.984 2.497 -6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.271 5.362 -9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.683 2.056 -6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.038 5.759 -10.210 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.433 2.471 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 10 0.214 3.718 -9.339 1.00 0.00 H new ATOM 129 N PRO A 11 8.173 4.915 -4.575 1.00 0.00 N ATOM 130 CA PRO A 11 9.444 4.702 -3.882 1.00 0.00 C ATOM 131 C PRO A 11 9.498 3.326 -3.208 1.00 0.00 C ATOM 132 O PRO A 11 8.490 2.851 -2.689 1.00 0.00 O ATOM 133 CB PRO A 11 9.510 5.825 -2.841 1.00 0.00 C ATOM 134 CG PRO A 11 8.050 6.147 -2.558 1.00 0.00 C ATOM 135 CD PRO A 11 7.437 6.008 -3.945 1.00 0.00 C ATOM 0 HA PRO A 11 10.288 4.723 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.030 5.504 -1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.044 6.694 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.608 5.454 -1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.922 7.150 -2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.372 5.784 -3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.537 6.932 -4.515 1.00 0.00 H new ATOM 143 N ASN A 12 10.662 2.679 -3.161 1.00 0.00 N ATOM 144 CA ASN A 12 10.785 1.400 -2.453 1.00 0.00 C ATOM 145 C ASN A 12 10.834 1.662 -0.934 1.00 0.00 C ATOM 146 O ASN A 12 11.413 2.660 -0.488 1.00 0.00 O ATOM 147 CB ASN A 12 12.025 0.639 -2.958 1.00 0.00 C ATOM 148 CG ASN A 12 11.928 0.157 -4.401 1.00 0.00 C ATOM 149 OD1 ASN A 12 10.926 0.286 -5.091 1.00 0.00 O ATOM 150 ND2 ASN A 12 12.990 -0.423 -4.913 1.00 0.00 N ATOM 0 H ASN A 12 11.523 3.011 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 12 9.918 0.770 -2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.897 1.287 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.195 -0.222 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.973 -0.760 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.832 -0.536 -4.348 1.00 0.00 H new ATOM 157 N ARG A 13 10.217 0.786 -0.128 1.00 0.00 N ATOM 158 CA ARG A 13 10.088 0.947 1.339 1.00 0.00 C ATOM 159 C ARG A 13 10.735 -0.168 2.163 1.00 0.00 C ATOM 160 O ARG A 13 10.249 -0.517 3.239 1.00 0.00 O ATOM 161 CB ARG A 13 8.608 1.157 1.717 1.00 0.00 C ATOM 162 CG ARG A 13 7.876 2.313 1.021 1.00 0.00 C ATOM 163 CD ARG A 13 8.584 3.678 1.027 1.00 0.00 C ATOM 164 NE ARG A 13 9.069 4.068 2.368 1.00 0.00 N ATOM 165 CZ ARG A 13 10.306 4.375 2.724 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.318 4.317 1.903 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.556 4.747 3.945 1.00 0.00 N ATOM 0 H ARG A 13 9.785 -0.070 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 13 10.659 1.837 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.068 0.235 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.551 1.317 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.695 2.027 -0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.901 2.433 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.426 3.648 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.897 4.440 0.659 1.00 0.00 H new ATOM 0 HE ARG A 13 8.367 4.105 3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.175 4.024 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.253 4.564 2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.799 4.802 4.627 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.509 4.984 4.221 1.00 0.00 H new ATOM 181 N GLY A 14 11.812 -0.759 1.646 1.00 0.00 N ATOM 182 CA GLY A 14 12.540 -1.848 2.319 1.00 0.00 C ATOM 183 C GLY A 14 11.645 -3.045 2.671 1.00 0.00 C ATOM 184 O GLY A 14 11.807 -3.650 3.731 1.00 0.00 O ATOM 0 H GLY A 14 12.210 -0.498 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.352 -2.186 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.996 -1.463 3.231 1.00 0.00 H new ATOM 188 N ASN A 15 10.690 -3.341 1.777 1.00 0.00 N ATOM 189 CA ASN A 15 9.691 -4.419 1.822 1.00 0.00 C ATOM 190 C ASN A 15 8.419 -4.095 2.658 1.00 0.00 C ATOM 191 O ASN A 15 7.584 -4.976 2.865 1.00 0.00 O ATOM 192 CB ASN A 15 10.320 -5.778 2.215 1.00 0.00 C ATOM 193 CG ASN A 15 11.523 -6.266 1.414 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.152 -5.569 0.627 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.884 -7.516 1.599 1.00 0.00 N ATOM 0 H ASN A 15 10.588 -2.783 0.929 1.00 0.00 H new ATOM 0 HA ASN A 15 9.329 -4.505 0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.617 -5.719 3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.542 -6.539 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.681 -7.897 1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.367 -8.105 2.252 1.00 0.00 H new ATOM 202 N THR A 16 8.227 -2.856 3.136 1.00 0.00 N ATOM 203 CA THR A 16 7.050 -2.459 3.945 1.00 0.00 C ATOM 204 C THR A 16 5.770 -2.412 3.096 1.00 0.00 C ATOM 205 O THR A 16 5.697 -1.602 2.176 1.00 0.00 O ATOM 206 CB THR A 16 7.297 -1.077 4.582 1.00 0.00 C ATOM 207 OG1 THR A 16 8.430 -1.123 5.425 1.00 0.00 O ATOM 208 CG2 THR A 16 6.134 -0.562 5.428 1.00 0.00 C ATOM 0 H THR A 16 8.884 -2.093 2.975 1.00 0.00 H new ATOM 0 HA THR A 16 6.912 -3.209 4.724 1.00 0.00 H new ATOM 0 HB THR A 16 7.434 -0.400 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.235 -0.925 4.902 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.388 0.415 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.243 -0.473 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.940 -1.260 6.243 1.00 0.00 H new ATOM 216 N CYS A 17 4.755 -3.238 3.396 1.00 0.00 N ATOM 217 CA CYS A 17 3.484 -3.296 2.660 1.00 0.00 C ATOM 218 C CYS A 17 2.300 -3.009 3.607 1.00 0.00 C ATOM 219 O CYS A 17 1.995 -3.821 4.483 1.00 0.00 O ATOM 220 CB CYS A 17 3.352 -4.676 1.994 1.00 0.00 C ATOM 221 SG CYS A 17 4.750 -5.027 0.887 1.00 0.00 S ATOM 0 H CYS A 17 4.797 -3.897 4.173 1.00 0.00 H new ATOM 0 HA CYS A 17 3.471 -2.531 1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.295 -5.447 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.421 -4.719 1.429 1.00 0.00 H new ATOM 0 HG CYS A 17 5.854 -5.042 1.573 1.00 0.00 H new ATOM 227 N LEU A 18 1.657 -1.846 3.445 1.00 0.00 N ATOM 228 CA LEU A 18 0.566 -1.327 4.289 1.00 0.00 C ATOM 229 C LEU A 18 -0.747 -1.102 3.527 1.00 0.00 C ATOM 230 O LEU A 18 -0.760 -0.667 2.376 1.00 0.00 O ATOM 231 CB LEU A 18 1.028 0.003 4.930 1.00 0.00 C ATOM 232 CG LEU A 18 1.735 -0.088 6.296 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.804 -1.172 6.376 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.381 1.258 6.628 1.00 0.00 C ATOM 0 H LEU A 18 1.893 -1.208 2.685 1.00 0.00 H new ATOM 0 HA LEU A 18 0.354 -2.083 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.702 0.499 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.155 0.646 5.042 1.00 0.00 H new ATOM 0 HG LEU A 18 0.960 -0.354 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.252 -1.169 7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.351 -2.145 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.575 -0.979 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.881 1.193 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.110 1.511 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.613 2.030 6.668 1.00 0.00 H new ATOM 246 N GLU A 19 -1.859 -1.354 4.225 1.00 0.00 N ATOM 247 CA GLU A 19 -3.233 -1.144 3.743 1.00 0.00 C ATOM 248 C GLU A 19 -3.830 0.205 4.186 1.00 0.00 C ATOM 249 O GLU A 19 -4.973 0.501 3.839 1.00 0.00 O ATOM 250 CB GLU A 19 -4.139 -2.294 4.224 1.00 0.00 C ATOM 251 CG GLU A 19 -4.412 -2.293 5.728 1.00 0.00 C ATOM 252 CD GLU A 19 -5.285 -3.491 6.148 1.00 0.00 C ATOM 253 OE1 GLU A 19 -6.534 -3.396 6.063 1.00 0.00 O ATOM 254 OE2 GLU A 19 -4.730 -4.523 6.596 1.00 0.00 O ATOM 0 H GLU A 19 -1.829 -1.723 5.175 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.184 -1.129 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.090 -2.238 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.677 -3.243 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.467 -2.324 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.909 -1.364 6.007 1.00 0.00 H new ATOM 261 N ASN A 20 -3.097 1.007 4.969 1.00 0.00 N ATOM 262 CA ASN A 20 -3.554 2.308 5.485 1.00 0.00 C ATOM 263 C ASN A 20 -2.401 3.313 5.670 1.00 0.00 C ATOM 264 O ASN A 20 -1.249 2.926 5.890 1.00 0.00 O ATOM 265 CB ASN A 20 -4.277 2.099 6.837 1.00 0.00 C ATOM 266 CG ASN A 20 -5.751 1.766 6.695 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.497 2.422 5.979 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.233 0.758 7.387 1.00 0.00 N ATOM 0 H ASN A 20 -2.152 0.767 5.268 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.234 2.729 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.783 1.295 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.174 3.003 7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.224 0.525 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.616 0.208 7.985 1.00 0.00 H new ATOM 275 N GLY A 21 -2.737 4.610 5.628 1.00 0.00 N ATOM 276 CA GLY A 21 -1.819 5.741 5.832 1.00 0.00 C ATOM 277 C GLY A 21 -1.626 6.630 4.595 1.00 0.00 C ATOM 278 O GLY A 21 -2.277 6.437 3.568 1.00 0.00 O ATOM 0 H GLY A 21 -3.694 4.913 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.194 6.355 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.848 5.354 6.142 1.00 0.00 H new ATOM 282 N SER A 22 -0.718 7.603 4.720 1.00 0.00 N ATOM 283 CA SER A 22 -0.281 8.562 3.686 1.00 0.00 C ATOM 284 C SER A 22 1.176 8.941 3.975 1.00 0.00 C ATOM 285 O SER A 22 1.477 9.466 5.051 1.00 0.00 O ATOM 286 CB SER A 22 -1.137 9.836 3.687 1.00 0.00 C ATOM 287 OG SER A 22 -2.443 9.581 3.191 1.00 0.00 O ATOM 0 H SER A 22 -0.233 7.757 5.604 1.00 0.00 H new ATOM 0 HA SER A 22 -0.387 8.092 2.708 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.202 10.232 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.656 10.600 3.076 1.00 0.00 H new ATOM 0 HG SER A 22 -2.590 8.613 3.139 1.00 0.00 H new ATOM 293 N PHE A 23 2.101 8.622 3.068 1.00 0.00 N ATOM 294 CA PHE A 23 3.547 8.803 3.265 1.00 0.00 C ATOM 295 C PHE A 23 4.066 10.250 3.186 1.00 0.00 C ATOM 296 O PHE A 23 4.650 10.686 2.192 1.00 0.00 O ATOM 297 CB PHE A 23 4.292 7.842 2.334 1.00 0.00 C ATOM 298 CG PHE A 23 5.781 7.660 2.582 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.333 7.755 3.878 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.623 7.347 1.498 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.713 7.577 4.071 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.008 7.196 1.689 1.00 0.00 C ATOM 303 CZ PHE A 23 8.558 7.351 2.973 1.00 0.00 C ATOM 0 H PHE A 23 1.866 8.223 2.159 1.00 0.00 H new ATOM 0 HA PHE A 23 3.756 8.555 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.815 6.865 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.159 8.190 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.693 7.965 4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.202 7.222 0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.126 7.614 5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.648 6.961 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.627 7.296 3.115 1.00 0.00 H new ATOM 313 N LEU A 24 3.856 11.012 4.261 1.00 0.00 N ATOM 314 CA LEU A 24 4.225 12.426 4.382 1.00 0.00 C ATOM 315 C LEU A 24 5.687 12.770 4.026 1.00 0.00 C ATOM 316 O LEU A 24 5.958 13.868 3.539 1.00 0.00 O ATOM 317 CB LEU A 24 3.879 12.939 5.793 1.00 0.00 C ATOM 318 CG LEU A 24 2.439 12.686 6.287 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.212 13.432 7.602 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.363 13.127 5.294 1.00 0.00 C ATOM 0 H LEU A 24 3.408 10.649 5.103 1.00 0.00 H new ATOM 0 HA LEU A 24 3.633 12.939 3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.568 12.479 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.065 14.013 5.820 1.00 0.00 H new ATOM 0 HG LEU A 24 2.346 11.607 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.195 13.253 7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.920 13.075 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.359 14.500 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.377 12.918 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.458 14.196 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.486 12.581 4.358 1.00 0.00 H new ATOM 332 N LEU A 25 6.627 11.841 4.236 1.00 0.00 N ATOM 333 CA LEU A 25 8.047 12.018 3.890 1.00 0.00 C ATOM 334 C LEU A 25 8.309 12.019 2.368 1.00 0.00 C ATOM 335 O LEU A 25 9.323 12.568 1.933 1.00 0.00 O ATOM 336 CB LEU A 25 8.900 10.946 4.592 1.00 0.00 C ATOM 337 CG LEU A 25 8.934 11.032 6.132 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.863 9.950 6.688 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.436 12.383 6.650 1.00 0.00 C ATOM 0 H LEU A 25 6.423 10.934 4.656 1.00 0.00 H new ATOM 0 HA LEU A 25 8.338 13.006 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.524 9.963 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.922 11.017 4.218 1.00 0.00 H new ATOM 0 HG LEU A 25 7.905 10.897 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.885 10.013 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.497 8.968 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.869 10.098 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.435 12.378 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.449 12.558 6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.781 13.177 6.291 1.00 0.00 H new ATOM 351 N ASN A 26 7.395 11.474 1.553 1.00 0.00 N ATOM 352 CA ASN A 26 7.471 11.511 0.086 1.00 0.00 C ATOM 353 C ASN A 26 6.539 12.603 -0.455 1.00 0.00 C ATOM 354 O ASN A 26 6.866 13.246 -1.447 1.00 0.00 O ATOM 355 CB ASN A 26 7.102 10.136 -0.491 1.00 0.00 C ATOM 356 CG ASN A 26 7.331 10.047 -1.997 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.211 10.668 -2.563 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.571 9.265 -2.717 1.00 0.00 N ATOM 0 H ASN A 26 6.569 10.987 1.900 1.00 0.00 H new ATOM 0 HA ASN A 26 8.490 11.747 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.692 9.367 0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.055 9.925 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.725 9.189 -3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.824 8.730 -2.274 1.00 0.00 H new ATOM 365 N PHE A 27 5.400 12.845 0.201 1.00 0.00 N ATOM 366 CA PHE A 27 4.491 13.927 -0.183 1.00 0.00 C ATOM 367 C PHE A 27 5.165 15.285 0.047 1.00 0.00 C ATOM 368 O PHE A 27 5.356 15.716 1.187 1.00 0.00 O ATOM 369 CB PHE A 27 3.170 13.855 0.589 1.00 0.00 C ATOM 370 CG PHE A 27 2.140 14.912 0.198 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.676 15.016 -1.131 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.613 15.777 1.177 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.666 15.940 -1.473 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.605 16.698 0.838 1.00 0.00 C ATOM 375 CZ PHE A 27 0.120 16.767 -0.478 1.00 0.00 C ATOM 0 H PHE A 27 5.085 12.302 1.005 1.00 0.00 H new ATOM 0 HA PHE A 27 4.262 13.812 -1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.732 12.868 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.382 13.951 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.099 14.381 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.984 15.733 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.316 16.011 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.202 17.356 1.594 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.674 17.457 -0.725 1.00 0.00 H new ATOM 385 N THR A 28 5.508 15.984 -1.030 1.00 0.00 N ATOM 386 CA THR A 28 6.145 17.320 -0.988 1.00 0.00 C ATOM 387 C THR A 28 5.115 18.454 -1.009 1.00 0.00 C ATOM 388 O THR A 28 5.472 19.628 -1.134 1.00 0.00 O ATOM 389 CB THR A 28 7.168 17.484 -2.130 1.00 0.00 C ATOM 390 OG1 THR A 28 6.688 16.995 -3.367 1.00 0.00 O ATOM 391 CG2 THR A 28 8.435 16.701 -1.797 1.00 0.00 C ATOM 0 H THR A 28 5.354 15.643 -1.979 1.00 0.00 H new ATOM 0 HA THR A 28 6.677 17.388 -0.039 1.00 0.00 H new ATOM 0 HB THR A 28 7.359 18.553 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.372 17.123 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.158 16.817 -2.605 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.864 17.080 -0.869 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.190 15.646 -1.679 1.00 0.00 H new ATOM 399 N GLY A 29 3.832 18.104 -0.900 1.00 0.00 N ATOM 400 CA GLY A 29 2.700 19.015 -0.999 1.00 0.00 C ATOM 401 C GLY A 29 2.199 19.058 -2.446 1.00 0.00 C ATOM 402 O GLY A 29 2.981 18.852 -3.380 1.00 0.00 O ATOM 0 H GLY A 29 3.546 17.139 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.899 18.689 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.995 20.013 -0.676 1.00 0.00 H new ATOM 406 N CYS A 30 0.903 19.316 -2.611 1.00 0.00 N ATOM 407 CA CYS A 30 0.198 19.354 -3.884 1.00 0.00 C ATOM 408 C CYS A 30 0.829 20.284 -4.926 1.00 0.00 C ATOM 409 O CYS A 30 1.684 21.133 -4.635 1.00 0.00 O ATOM 410 CB CYS A 30 -1.271 19.745 -3.615 1.00 0.00 C ATOM 411 SG CYS A 30 -2.404 19.272 -4.982 1.00 0.00 S ATOM 0 H CYS A 30 0.289 19.513 -1.820 1.00 0.00 H new ATOM 0 HA CYS A 30 0.264 18.359 -4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.605 19.269 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.331 20.822 -3.457 1.00 0.00 H new ATOM 416 N ALA A 31 0.326 20.174 -6.144 1.00 0.00 N ATOM 417 CA ALA A 31 0.640 21.068 -7.246 1.00 0.00 C ATOM 418 C ALA A 31 -0.624 21.647 -7.910 1.00 0.00 C ATOM 419 O ALA A 31 -0.507 22.636 -8.644 1.00 0.00 O ATOM 420 CB ALA A 31 1.614 20.428 -8.235 1.00 0.00 C ATOM 0 H ALA A 31 -0.332 19.438 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 31 1.162 21.929 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.824 21.128 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.542 20.178 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.172 19.521 -8.646 1.00 0.00 H new ATOM 426 N VAL A 32 -1.827 21.133 -7.611 1.00 0.00 N ATOM 427 CA VAL A 32 -3.083 21.746 -8.069 1.00 0.00 C ATOM 428 C VAL A 32 -3.345 23.022 -7.251 1.00 0.00 C ATOM 429 O VAL A 32 -3.839 24.010 -7.808 1.00 0.00 O ATOM 430 CB VAL A 32 -4.285 20.767 -7.994 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.666 21.431 -8.133 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.231 19.727 -9.122 1.00 0.00 C ATOM 0 H VAL A 32 -1.956 20.290 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.976 22.004 -9.123 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.185 20.329 -7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.444 20.670 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.802 22.158 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.732 21.936 -9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.087 19.057 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.258 20.234 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.310 19.150 -9.041 1.00 0.00 H new ATOM 442 N CYS A 33 -2.984 23.024 -5.961 1.00 0.00 N ATOM 443 CA CYS A 33 -3.169 24.130 -5.016 1.00 0.00 C ATOM 444 C CYS A 33 -1.933 24.521 -4.168 1.00 0.00 C ATOM 445 O CYS A 33 -1.908 25.627 -3.612 1.00 0.00 O ATOM 446 CB CYS A 33 -4.314 23.746 -4.079 1.00 0.00 C ATOM 447 SG CYS A 33 -3.813 22.349 -3.015 1.00 0.00 S ATOM 0 H CYS A 33 -2.534 22.217 -5.529 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.374 25.013 -5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.592 24.601 -3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.194 23.473 -4.661 1.00 0.00 H new ATOM 452 N SER A 34 -0.913 23.653 -4.075 1.00 0.00 N ATOM 453 CA SER A 34 0.345 23.848 -3.321 1.00 0.00 C ATOM 454 C SER A 34 0.293 23.551 -1.799 1.00 0.00 C ATOM 455 O SER A 34 1.220 23.935 -1.076 1.00 0.00 O ATOM 456 CB SER A 34 0.978 25.223 -3.623 1.00 0.00 C ATOM 457 OG SER A 34 2.387 25.207 -3.442 1.00 0.00 O ATOM 0 H SER A 34 -0.941 22.749 -4.546 1.00 0.00 H new ATOM 0 HA SER A 34 0.999 23.064 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.747 25.512 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.537 25.977 -2.972 1.00 0.00 H new ATOM 0 HG SER A 34 2.603 24.768 -2.593 1.00 0.00 H new ATOM 463 N LYS A 35 -0.740 22.876 -1.265 1.00 0.00 N ATOM 464 CA LYS A 35 -0.846 22.550 0.182 1.00 0.00 C ATOM 465 C LYS A 35 -0.049 21.298 0.580 1.00 0.00 C ATOM 466 O LYS A 35 -0.004 20.324 -0.166 1.00 0.00 O ATOM 467 CB LYS A 35 -2.323 22.345 0.557 1.00 0.00 C ATOM 468 CG LYS A 35 -3.074 23.680 0.696 1.00 0.00 C ATOM 469 CD LYS A 35 -3.568 23.892 2.128 1.00 0.00 C ATOM 470 CE LYS A 35 -4.179 25.291 2.274 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.591 25.569 3.674 1.00 0.00 N ATOM 0 H LYS A 35 -1.528 22.538 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.418 23.392 0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.808 21.734 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.385 21.795 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.417 24.501 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.921 23.696 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.310 23.135 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.741 23.773 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.455 26.039 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.043 25.381 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.471 26.123 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.747 24.671 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.843 26.108 4.155 1.00 0.00 H new ATOM 485 N ARG A 36 0.519 21.283 1.795 1.00 0.00 N ATOM 486 CA ARG A 36 1.241 20.138 2.401 1.00 0.00 C ATOM 487 C ARG A 36 0.549 19.710 3.705 1.00 0.00 C ATOM 488 O ARG A 36 -0.234 20.481 4.249 1.00 0.00 O ATOM 489 CB ARG A 36 2.733 20.460 2.570 1.00 0.00 C ATOM 490 CG ARG A 36 3.540 19.174 2.827 1.00 0.00 C ATOM 491 CD ARG A 36 5.024 19.361 2.542 1.00 0.00 C ATOM 492 NE ARG A 36 5.732 18.071 2.674 1.00 0.00 N ATOM 493 CZ ARG A 36 6.855 17.799 3.309 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.583 18.717 3.880 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.266 16.566 3.376 1.00 0.00 N ATOM 0 H ARG A 36 0.491 22.095 2.411 1.00 0.00 H new ATOM 0 HA ARG A 36 1.199 19.280 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.107 20.957 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.869 21.153 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.407 18.864 3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.150 18.371 2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.162 19.759 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.446 20.089 3.234 1.00 0.00 H new ATOM 0 HE ARG A 36 5.289 17.279 2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.291 19.694 3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.445 18.459 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.721 15.822 2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.133 16.343 3.865 1.00 0.00 H new ATOM 509 N ASP A 37 0.798 18.483 4.182 1.00 0.00 N ATOM 510 CA ASP A 37 0.166 17.857 5.369 1.00 0.00 C ATOM 511 C ASP A 37 -1.380 17.879 5.372 1.00 0.00 C ATOM 512 O ASP A 37 -2.050 17.844 6.405 1.00 0.00 O ATOM 513 CB ASP A 37 0.821 18.318 6.679 1.00 0.00 C ATOM 514 CG ASP A 37 0.648 19.802 7.062 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.363 20.163 7.711 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.587 20.597 6.808 1.00 0.00 O ATOM 0 H ASP A 37 1.476 17.865 3.736 1.00 0.00 H new ATOM 0 HA ASP A 37 0.379 16.791 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.421 17.710 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.888 18.106 6.617 1.00 0.00 H new ATOM 521 N PHE A 38 -1.931 17.918 4.161 1.00 0.00 N ATOM 522 CA PHE A 38 -3.344 17.992 3.802 1.00 0.00 C ATOM 523 C PHE A 38 -3.756 16.816 2.913 1.00 0.00 C ATOM 524 O PHE A 38 -3.564 16.836 1.699 1.00 0.00 O ATOM 525 CB PHE A 38 -3.651 19.338 3.126 1.00 0.00 C ATOM 526 CG PHE A 38 -4.069 20.465 4.059 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.299 20.838 5.177 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.282 21.134 3.807 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.724 21.891 6.009 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.704 22.190 4.630 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.924 22.570 5.736 1.00 0.00 C ATOM 0 H PHE A 38 -1.343 17.897 3.328 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.933 17.925 4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.766 19.657 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.444 19.184 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.380 20.315 5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.895 20.831 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.125 22.178 6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.626 22.709 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.245 23.380 6.373 1.00 0.00 H new ATOM 541 N MET A 39 -4.366 15.799 3.523 1.00 0.00 N ATOM 542 CA MET A 39 -4.888 14.628 2.805 1.00 0.00 C ATOM 543 C MET A 39 -5.957 13.825 3.558 1.00 0.00 C ATOM 544 O MET A 39 -5.963 13.730 4.786 1.00 0.00 O ATOM 545 CB MET A 39 -3.774 13.676 2.324 1.00 0.00 C ATOM 546 CG MET A 39 -2.673 13.392 3.360 1.00 0.00 C ATOM 547 SD MET A 39 -1.031 14.048 2.955 1.00 0.00 S ATOM 548 CE MET A 39 -0.686 13.128 1.428 1.00 0.00 C ATOM 0 H MET A 39 -4.514 15.761 4.531 1.00 0.00 H new ATOM 0 HA MET A 39 -5.381 15.073 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.227 12.730 2.028 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.313 14.101 1.432 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.985 13.807 4.318 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.592 12.313 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.378 12.899 1.374 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.258 12.200 1.425 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.971 13.732 0.567 1.00 0.00 H new ATOM 558 N LEU A 40 -6.826 13.216 2.751 1.00 0.00 N ATOM 559 CA LEU A 40 -7.957 12.332 3.040 1.00 0.00 C ATOM 560 C LEU A 40 -7.807 11.040 2.215 1.00 0.00 C ATOM 561 O LEU A 40 -7.040 10.987 1.251 1.00 0.00 O ATOM 562 CB LEU A 40 -9.264 13.063 2.637 1.00 0.00 C ATOM 563 CG LEU A 40 -9.983 13.934 3.686 1.00 0.00 C ATOM 564 CD1 LEU A 40 -11.001 13.102 4.472 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.079 14.587 4.716 1.00 0.00 C ATOM 0 H LEU A 40 -6.741 13.350 1.743 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.986 12.080 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.036 13.698 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.972 12.308 2.294 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.445 14.722 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.498 13.735 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.742 12.692 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.488 12.287 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.681 15.177 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.542 13.817 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.364 15.237 4.212 1.00 0.00 H new ATOM 577 N ILE A 41 -8.586 10.015 2.561 1.00 0.00 N ATOM 578 CA ILE A 41 -8.664 8.723 1.869 1.00 0.00 C ATOM 579 C ILE A 41 -10.146 8.453 1.599 1.00 0.00 C ATOM 580 O ILE A 41 -10.987 8.632 2.485 1.00 0.00 O ATOM 581 CB ILE A 41 -8.025 7.608 2.729 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.494 7.802 2.824 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.371 6.208 2.175 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.814 6.902 3.867 1.00 0.00 C ATOM 0 H ILE A 41 -9.209 10.062 3.367 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.110 8.742 0.930 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.441 7.678 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.052 7.607 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.284 8.844 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.908 5.445 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.453 6.073 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.997 6.118 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.742 7.098 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.227 7.113 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.991 5.856 3.616 1.00 0.00 H new ATOM 596 N THR A 42 -10.470 8.012 0.384 1.00 0.00 N ATOM 597 CA THR A 42 -11.848 7.680 -0.014 1.00 0.00 C ATOM 598 C THR A 42 -11.889 6.538 -1.032 1.00 0.00 C ATOM 599 O THR A 42 -10.846 6.100 -1.523 1.00 0.00 O ATOM 600 CB THR A 42 -12.595 8.936 -0.511 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.967 8.776 -0.220 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.489 9.196 -2.016 1.00 0.00 C ATOM 0 H THR A 42 -9.785 7.873 -0.359 1.00 0.00 H new ATOM 0 HA THR A 42 -12.373 7.318 0.870 1.00 0.00 H new ATOM 0 HB THR A 42 -12.128 9.780 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.461 9.565 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.045 10.099 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.442 9.326 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.904 8.349 -2.562 1.00 0.00 H new ATOM 610 N ASN A 43 -13.093 6.059 -1.358 1.00 0.00 N ATOM 611 CA ASN A 43 -13.399 4.985 -2.322 1.00 0.00 C ATOM 612 C ASN A 43 -12.715 3.625 -2.033 1.00 0.00 C ATOM 613 O ASN A 43 -12.646 2.752 -2.899 1.00 0.00 O ATOM 614 CB ASN A 43 -13.280 5.544 -3.767 1.00 0.00 C ATOM 615 CG ASN A 43 -12.115 5.053 -4.618 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.292 4.519 -5.706 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.900 5.242 -4.172 1.00 0.00 N ATOM 0 H ASN A 43 -13.940 6.433 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.439 4.684 -2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.204 5.310 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.215 6.630 -3.703 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.100 4.945 -4.730 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.753 5.687 -3.266 1.00 0.00 H new ATOM 624 N LYS A 44 -12.214 3.450 -0.801 1.00 0.00 N ATOM 625 CA LYS A 44 -11.506 2.263 -0.302 1.00 0.00 C ATOM 626 C LYS A 44 -12.285 0.959 -0.513 1.00 0.00 C ATOM 627 O LYS A 44 -13.326 0.734 0.110 1.00 0.00 O ATOM 628 CB LYS A 44 -11.177 2.474 1.185 1.00 0.00 C ATOM 629 CG LYS A 44 -10.062 1.537 1.673 1.00 0.00 C ATOM 630 CD LYS A 44 -9.966 1.490 3.204 1.00 0.00 C ATOM 631 CE LYS A 44 -8.693 0.751 3.634 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.484 1.601 3.482 1.00 0.00 N ATOM 0 H LYS A 44 -12.297 4.174 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.589 2.151 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.875 3.509 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.075 2.308 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.243 0.532 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.108 1.867 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.960 2.503 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.842 0.989 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.788 0.437 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.579 -0.154 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.670 1.005 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.645 2.303 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.289 2.091 4.378 1.00 0.00 H new ATOM 646 N SER A 45 -11.754 0.100 -1.374 1.00 0.00 N ATOM 647 CA SER A 45 -12.274 -1.232 -1.685 1.00 0.00 C ATOM 648 C SER A 45 -11.406 -2.341 -1.092 1.00 0.00 C ATOM 649 O SER A 45 -10.205 -2.172 -0.862 1.00 0.00 O ATOM 650 CB SER A 45 -12.390 -1.408 -3.204 1.00 0.00 C ATOM 651 OG SER A 45 -13.473 -0.640 -3.710 1.00 0.00 O ATOM 0 H SER A 45 -10.909 0.320 -1.901 1.00 0.00 H new ATOM 0 HA SER A 45 -13.262 -1.313 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.461 -1.100 -3.684 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.539 -2.461 -3.444 1.00 0.00 H new ATOM 0 HG SER A 45 -13.534 -0.761 -4.681 1.00 0.00 H new ATOM 657 N LEU A 46 -12.022 -3.506 -0.888 1.00 0.00 N ATOM 658 CA LEU A 46 -11.397 -4.723 -0.378 1.00 0.00 C ATOM 659 C LEU A 46 -11.937 -5.940 -1.140 1.00 0.00 C ATOM 660 O LEU A 46 -13.136 -6.030 -1.424 1.00 0.00 O ATOM 661 CB LEU A 46 -11.589 -4.827 1.147 1.00 0.00 C ATOM 662 CG LEU A 46 -11.155 -6.187 1.752 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.559 -5.992 3.147 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.318 -7.174 1.898 1.00 0.00 C ATOM 0 H LEU A 46 -13.015 -3.631 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.321 -4.691 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.021 -4.031 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.640 -4.657 1.382 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.422 -6.594 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.261 -6.958 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.687 -5.341 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.304 -5.537 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.952 -8.107 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.077 -6.747 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.753 -7.371 0.918 1.00 0.00 H new ATOM 676 N LYS A 47 -11.033 -6.860 -1.483 1.00 0.00 N ATOM 677 CA LYS A 47 -11.290 -8.086 -2.240 1.00 0.00 C ATOM 678 C LYS A 47 -10.652 -9.296 -1.573 1.00 0.00 C ATOM 679 O LYS A 47 -9.591 -9.173 -0.972 1.00 0.00 O ATOM 680 CB LYS A 47 -10.768 -7.923 -3.675 1.00 0.00 C ATOM 681 CG LYS A 47 -11.817 -8.353 -4.700 1.00 0.00 C ATOM 682 CD LYS A 47 -11.296 -8.409 -6.143 1.00 0.00 C ATOM 683 CE LYS A 47 -10.445 -9.666 -6.354 1.00 0.00 C ATOM 684 NZ LYS A 47 -10.017 -9.831 -7.766 1.00 0.00 N ATOM 0 H LYS A 47 -10.050 -6.764 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.366 -8.257 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.493 -6.883 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.864 -8.518 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.198 -9.336 -4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.658 -7.661 -4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.134 -8.408 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.703 -7.520 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.564 -9.616 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.014 -10.543 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.671 -10.801 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.824 -9.652 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.255 -9.156 -7.979 1.00 0.00 H new ATOM 698 N GLU A 48 -11.279 -10.461 -1.675 1.00 0.00 N ATOM 699 CA GLU A 48 -10.713 -11.699 -1.113 1.00 0.00 C ATOM 700 C GLU A 48 -10.916 -12.897 -2.059 1.00 0.00 C ATOM 701 O GLU A 48 -12.048 -13.316 -2.312 1.00 0.00 O ATOM 702 CB GLU A 48 -11.371 -11.996 0.249 1.00 0.00 C ATOM 703 CG GLU A 48 -11.162 -10.920 1.323 1.00 0.00 C ATOM 704 CD GLU A 48 -11.819 -11.355 2.648 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.187 -12.101 3.433 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.985 -10.964 2.910 1.00 0.00 O ATOM 0 H GLU A 48 -12.179 -10.583 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.641 -11.551 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.442 -12.131 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.981 -12.942 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.096 -10.751 1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.590 -9.975 0.989 1.00 0.00 H new ATOM 713 N GLU A 49 -9.817 -13.476 -2.559 1.00 0.00 N ATOM 714 CA GLU A 49 -9.803 -14.707 -3.370 1.00 0.00 C ATOM 715 C GLU A 49 -9.008 -15.851 -2.724 1.00 0.00 C ATOM 716 O GLU A 49 -7.798 -15.741 -2.569 1.00 0.00 O ATOM 717 CB GLU A 49 -9.279 -14.450 -4.790 1.00 0.00 C ATOM 718 CG GLU A 49 -10.223 -13.581 -5.632 1.00 0.00 C ATOM 719 CD GLU A 49 -9.769 -13.530 -7.103 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.967 -14.524 -7.842 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.243 -12.478 -7.542 1.00 0.00 O ATOM 0 H GLU A 49 -8.884 -13.092 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.845 -15.023 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.305 -13.964 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.128 -15.405 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.236 -13.979 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.254 -12.571 -5.223 1.00 0.00 H new ATOM 728 N ASP A 50 -9.632 -17.000 -2.468 1.00 0.00 N ATOM 729 CA ASP A 50 -8.997 -18.258 -2.003 1.00 0.00 C ATOM 730 C ASP A 50 -7.943 -18.177 -0.860 1.00 0.00 C ATOM 731 O ASP A 50 -7.104 -19.068 -0.701 1.00 0.00 O ATOM 732 CB ASP A 50 -8.422 -18.948 -3.258 1.00 0.00 C ATOM 733 CG ASP A 50 -8.168 -20.457 -3.079 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.056 -21.169 -2.548 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.105 -20.954 -3.527 1.00 0.00 O ATOM 0 H ASP A 50 -10.641 -17.096 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.782 -18.830 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.112 -18.802 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.486 -18.462 -3.531 1.00 0.00 H new ATOM 740 N GLY A 51 -7.958 -17.101 -0.069 1.00 0.00 N ATOM 741 CA GLY A 51 -7.009 -16.809 1.023 1.00 0.00 C ATOM 742 C GLY A 51 -6.221 -15.507 0.810 1.00 0.00 C ATOM 743 O GLY A 51 -5.738 -14.913 1.775 1.00 0.00 O ATOM 0 H GLY A 51 -8.663 -16.372 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.556 -16.745 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.308 -17.639 1.118 1.00 0.00 H new ATOM 747 N GLU A 52 -6.126 -15.033 -0.434 1.00 0.00 N ATOM 748 CA GLU A 52 -5.520 -13.752 -0.799 1.00 0.00 C ATOM 749 C GLU A 52 -6.468 -12.619 -0.388 1.00 0.00 C ATOM 750 O GLU A 52 -7.671 -12.692 -0.635 1.00 0.00 O ATOM 751 CB GLU A 52 -5.235 -13.711 -2.320 1.00 0.00 C ATOM 752 CG GLU A 52 -4.682 -12.379 -2.867 1.00 0.00 C ATOM 753 CD GLU A 52 -4.514 -12.365 -4.408 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.930 -13.319 -5.112 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.972 -11.365 -4.942 1.00 0.00 O ATOM 0 H GLU A 52 -6.480 -15.547 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.570 -13.629 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.524 -14.502 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.159 -13.943 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.351 -11.570 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.717 -12.177 -2.402 1.00 0.00 H new ATOM 762 N GLU A 53 -5.925 -11.554 0.194 1.00 0.00 N ATOM 763 CA GLU A 53 -6.646 -10.348 0.595 1.00 0.00 C ATOM 764 C GLU A 53 -6.086 -9.159 -0.187 1.00 0.00 C ATOM 765 O GLU A 53 -4.876 -8.949 -0.228 1.00 0.00 O ATOM 766 CB GLU A 53 -6.507 -10.102 2.107 1.00 0.00 C ATOM 767 CG GLU A 53 -7.144 -11.208 2.957 1.00 0.00 C ATOM 768 CD GLU A 53 -7.100 -10.854 4.457 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.839 -9.938 4.895 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.335 -11.496 5.218 1.00 0.00 O ATOM 0 H GLU A 53 -4.929 -11.505 0.409 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.706 -10.473 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.450 -10.021 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.969 -9.147 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.178 -11.359 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.620 -12.148 2.787 1.00 0.00 H new ATOM 777 N ILE A 54 -6.952 -8.363 -0.811 1.00 0.00 N ATOM 778 CA ILE A 54 -6.567 -7.211 -1.619 1.00 0.00 C ATOM 779 C ILE A 54 -7.246 -5.959 -1.076 1.00 0.00 C ATOM 780 O ILE A 54 -8.426 -5.996 -0.735 1.00 0.00 O ATOM 781 CB ILE A 54 -6.907 -7.427 -3.114 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.327 -8.745 -3.685 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.310 -6.249 -3.891 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.289 -9.941 -3.631 1.00 0.00 C ATOM 0 H ILE A 54 -7.961 -8.505 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.486 -7.086 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.991 -7.490 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.032 -8.579 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.422 -8.998 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.529 -6.365 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.745 -5.317 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.230 -6.226 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.800 -10.820 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.565 -10.139 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.185 -9.713 -4.208 1.00 0.00 H new ATOM 796 N VAL A 55 -6.516 -4.845 -1.021 1.00 0.00 N ATOM 797 CA VAL A 55 -7.019 -3.538 -0.582 1.00 0.00 C ATOM 798 C VAL A 55 -6.585 -2.479 -1.588 1.00 0.00 C ATOM 799 O VAL A 55 -5.390 -2.248 -1.780 1.00 0.00 O ATOM 800 CB VAL A 55 -6.462 -3.192 0.812 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.026 -1.861 1.317 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.772 -4.291 1.838 1.00 0.00 C ATOM 0 H VAL A 55 -5.532 -4.823 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.107 -3.570 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.381 -3.109 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.615 -1.643 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.753 -1.064 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.112 -1.928 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.363 -4.009 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.852 -4.416 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.322 -5.229 1.513 1.00 0.00 H new ATOM 812 N THR A 56 -7.546 -1.820 -2.230 1.00 0.00 N ATOM 813 CA THR A 56 -7.290 -0.732 -3.189 1.00 0.00 C ATOM 814 C THR A 56 -7.979 0.574 -2.773 1.00 0.00 C ATOM 815 O THR A 56 -9.147 0.560 -2.383 1.00 0.00 O ATOM 816 CB THR A 56 -7.589 -1.167 -4.632 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.964 -1.423 -4.825 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.831 -2.452 -5.000 1.00 0.00 C ATOM 0 H THR A 56 -8.537 -2.023 -2.102 1.00 0.00 H new ATOM 0 HA THR A 56 -6.223 -0.509 -3.167 1.00 0.00 H new ATOM 0 HB THR A 56 -7.267 -0.340 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.119 -1.696 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.065 -2.731 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.759 -2.281 -4.906 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.131 -3.256 -4.328 1.00 0.00 H new ATOM 826 N TYR A 57 -7.289 1.715 -2.842 1.00 0.00 N ATOM 827 CA TYR A 57 -7.848 3.035 -2.497 1.00 0.00 C ATOM 828 C TYR A 57 -7.149 4.205 -3.214 1.00 0.00 C ATOM 829 O TYR A 57 -6.296 4.008 -4.083 1.00 0.00 O ATOM 830 CB TYR A 57 -7.885 3.223 -0.974 1.00 0.00 C ATOM 831 CG TYR A 57 -6.572 3.282 -0.212 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.988 2.094 0.267 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.994 4.524 0.117 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.857 2.152 1.104 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.866 4.586 0.957 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.303 3.399 1.471 1.00 0.00 C ATOM 837 OH TYR A 57 -3.263 3.456 2.345 1.00 0.00 O ATOM 0 H TYR A 57 -6.315 1.754 -3.142 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.873 3.052 -2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.428 4.146 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.474 2.407 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.408 1.138 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.419 5.435 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.411 1.238 1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.432 5.542 1.208 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.005 4.391 2.486 1.00 0.00 H new ATOM 847 N ASP A 58 -7.481 5.435 -2.815 1.00 0.00 N ATOM 848 CA ASP A 58 -6.952 6.670 -3.389 1.00 0.00 C ATOM 849 C ASP A 58 -6.727 7.696 -2.259 1.00 0.00 C ATOM 850 O ASP A 58 -7.379 7.641 -1.211 1.00 0.00 O ATOM 851 CB ASP A 58 -8.020 7.274 -4.340 1.00 0.00 C ATOM 852 CG ASP A 58 -8.296 6.533 -5.665 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.562 5.308 -5.669 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.342 7.209 -6.720 1.00 0.00 O ATOM 0 H ASP A 58 -8.146 5.602 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.022 6.455 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.959 7.342 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.717 8.293 -4.581 1.00 0.00 H new ATOM 859 N HIS A 59 -5.858 8.679 -2.508 1.00 0.00 N ATOM 860 CA HIS A 59 -5.548 9.787 -1.593 1.00 0.00 C ATOM 861 C HIS A 59 -6.071 11.088 -2.214 1.00 0.00 C ATOM 862 O HIS A 59 -5.975 11.271 -3.427 1.00 0.00 O ATOM 863 CB HIS A 59 -4.035 9.902 -1.335 1.00 0.00 C ATOM 864 CG HIS A 59 -3.341 8.652 -0.833 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.948 8.399 0.467 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.765 7.677 -1.611 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.146 7.320 0.458 1.00 0.00 C ATOM 868 NE2 HIS A 59 -2.004 6.839 -0.786 1.00 0.00 N ATOM 0 H HIS A 59 -5.332 8.730 -3.380 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.029 9.598 -0.633 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.553 10.212 -2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.872 10.699 -0.609 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.219 8.937 1.290 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.880 7.574 -2.680 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.679 6.897 1.335 1.00 0.00 H new ATOM 876 N LEU A 60 -6.624 11.998 -1.410 1.00 0.00 N ATOM 877 CA LEU A 60 -7.242 13.248 -1.864 1.00 0.00 C ATOM 878 C LEU A 60 -6.751 14.431 -1.040 1.00 0.00 C ATOM 879 O LEU A 60 -6.732 14.352 0.185 1.00 0.00 O ATOM 880 CB LEU A 60 -8.780 13.192 -1.742 1.00 0.00 C ATOM 881 CG LEU A 60 -9.499 12.317 -2.780 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.546 10.842 -2.384 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.957 12.757 -2.913 1.00 0.00 C ATOM 0 H LEU A 60 -6.656 11.884 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.958 13.374 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.034 12.826 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.169 14.207 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.935 12.435 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.066 10.274 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.530 10.462 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.076 10.736 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.460 12.132 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.457 12.655 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.995 13.798 -3.233 1.00 0.00 H new ATOM 895 N CYS A 61 -6.404 15.529 -1.703 1.00 0.00 N ATOM 896 CA CYS A 61 -5.966 16.770 -1.073 1.00 0.00 C ATOM 897 C CYS A 61 -7.063 17.323 -0.146 1.00 0.00 C ATOM 898 O CYS A 61 -8.191 17.563 -0.574 1.00 0.00 O ATOM 899 CB CYS A 61 -5.596 17.720 -2.225 1.00 0.00 C ATOM 900 SG CYS A 61 -4.586 19.133 -1.685 1.00 0.00 S ATOM 0 H CYS A 61 -6.420 15.582 -2.721 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.101 16.629 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.053 17.163 -2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.509 18.090 -2.691 1.00 0.00 H new ATOM 905 N LYS A 62 -6.772 17.544 1.141 1.00 0.00 N ATOM 906 CA LYS A 62 -7.756 18.109 2.091 1.00 0.00 C ATOM 907 C LYS A 62 -8.182 19.542 1.687 1.00 0.00 C ATOM 908 O LYS A 62 -9.186 20.045 2.194 1.00 0.00 O ATOM 909 CB LYS A 62 -7.172 18.016 3.520 1.00 0.00 C ATOM 910 CG LYS A 62 -7.843 18.827 4.644 1.00 0.00 C ATOM 911 CD LYS A 62 -9.279 18.383 4.952 1.00 0.00 C ATOM 912 CE LYS A 62 -10.016 19.376 5.863 1.00 0.00 C ATOM 913 NZ LYS A 62 -9.439 19.437 7.234 1.00 0.00 N ATOM 0 H LYS A 62 -5.862 17.342 1.556 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.678 17.528 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.185 16.967 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.126 18.320 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.243 18.741 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.850 19.881 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.830 18.272 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.259 17.403 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.981 20.369 5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.066 19.092 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.974 20.122 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.495 18.498 7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.444 19.735 7.179 1.00 0.00 H new ATOM 927 N ASN A 63 -7.464 20.189 0.763 1.00 0.00 N ATOM 928 CA ASN A 63 -7.752 21.537 0.290 1.00 0.00 C ATOM 929 C ASN A 63 -8.601 21.519 -0.993 1.00 0.00 C ATOM 930 O ASN A 63 -9.769 21.917 -0.950 1.00 0.00 O ATOM 931 CB ASN A 63 -6.430 22.288 0.106 1.00 0.00 C ATOM 932 CG ASN A 63 -6.670 23.684 -0.440 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.359 24.497 0.162 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.115 24.016 -1.577 1.00 0.00 N ATOM 0 H ASN A 63 -6.647 19.775 0.315 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.352 22.063 1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.908 22.352 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.784 21.733 -0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.257 24.951 -1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.540 23.340 -2.081 1.00 0.00 H new ATOM 941 N CYS A 64 -8.043 21.056 -2.118 1.00 0.00 N ATOM 942 CA CYS A 64 -8.719 21.024 -3.417 1.00 0.00 C ATOM 943 C CYS A 64 -9.467 19.707 -3.733 1.00 0.00 C ATOM 944 O CYS A 64 -10.182 19.632 -4.740 1.00 0.00 O ATOM 945 CB CYS A 64 -7.709 21.421 -4.517 1.00 0.00 C ATOM 946 SG CYS A 64 -6.203 20.385 -4.588 1.00 0.00 S ATOM 0 H CYS A 64 -7.093 20.687 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.526 21.756 -3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.210 21.375 -5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.412 22.458 -4.361 1.00 0.00 H new ATOM 951 N HIS A 65 -9.339 18.674 -2.887 1.00 0.00 N ATOM 952 CA HIS A 65 -9.939 17.328 -3.046 1.00 0.00 C ATOM 953 C HIS A 65 -9.632 16.636 -4.381 1.00 0.00 C ATOM 954 O HIS A 65 -10.294 15.674 -4.775 1.00 0.00 O ATOM 955 CB HIS A 65 -11.406 17.301 -2.598 1.00 0.00 C ATOM 956 CG HIS A 65 -11.549 17.624 -1.128 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.847 18.864 -0.591 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.333 16.757 -0.090 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.828 18.752 0.753 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.529 17.476 1.079 1.00 0.00 N ATOM 0 H HIS A 65 -8.790 18.751 -2.031 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.417 16.675 -2.347 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.979 18.019 -3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.829 16.316 -2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.062 15.714 -0.167 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.020 19.551 1.453 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.459 17.104 2.026 1.00 0.00 H new ATOM 969 N HIS A 66 -8.566 17.076 -5.036 1.00 0.00 N ATOM 970 CA HIS A 66 -7.976 16.435 -6.202 1.00 0.00 C ATOM 971 C HIS A 66 -7.342 15.111 -5.734 1.00 0.00 C ATOM 972 O HIS A 66 -6.829 15.034 -4.611 1.00 0.00 O ATOM 973 CB HIS A 66 -6.929 17.387 -6.767 1.00 0.00 C ATOM 974 CG HIS A 66 -5.614 16.769 -7.116 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.259 16.205 -8.321 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.478 16.945 -6.377 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.918 16.153 -8.349 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.407 16.637 -7.201 1.00 0.00 N ATOM 0 H HIS A 66 -8.070 17.923 -4.758 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.709 16.217 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.337 17.858 -7.661 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.756 18.180 -6.040 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.894 15.887 -9.053 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.425 17.264 -5.346 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.332 15.777 -9.175 1.00 0.00 H new ATOM 986 N VAL A 67 -7.344 14.072 -6.573 1.00 0.00 N ATOM 987 CA VAL A 67 -6.719 12.789 -6.231 1.00 0.00 C ATOM 988 C VAL A 67 -5.194 12.904 -6.338 1.00 0.00 C ATOM 989 O VAL A 67 -4.634 12.913 -7.438 1.00 0.00 O ATOM 990 CB VAL A 67 -7.270 11.642 -7.093 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.590 10.319 -6.736 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.779 11.459 -6.880 1.00 0.00 C ATOM 0 H VAL A 67 -7.773 14.093 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.970 12.546 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.070 11.907 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.996 9.522 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.517 10.403 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.772 10.088 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.138 10.640 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.973 11.229 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.299 12.377 -7.152 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.531 12.977 -5.181 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.071 13.079 -5.038 1.00 0.00 C ATOM 1004 C ILE A 68 -2.367 11.851 -5.635 1.00 0.00 C ATOM 1005 O ILE A 68 -1.371 11.974 -6.352 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.720 13.252 -3.540 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.120 14.690 -3.147 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.235 12.967 -3.221 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.984 14.989 -1.657 1.00 0.00 C ATOM 0 H ILE A 68 -5.012 12.966 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.717 13.949 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.270 12.516 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.502 15.393 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.153 14.864 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.059 13.107 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.994 11.940 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.603 13.652 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.284 16.019 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.623 14.312 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.947 14.850 -1.351 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.880 10.655 -5.319 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.298 9.375 -5.714 1.00 0.00 C ATOM 1023 C ALA A 69 -3.289 8.199 -5.574 1.00 0.00 C ATOM 1024 O ALA A 69 -4.337 8.327 -4.933 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.073 9.162 -4.804 1.00 0.00 C ATOM 0 H ALA A 69 -3.732 10.553 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.026 9.401 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.594 8.215 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.364 9.977 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.393 9.143 -3.762 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.924 7.034 -6.128 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.654 5.759 -6.026 1.00 0.00 C ATOM 1033 C ARG A 70 -2.783 4.737 -5.298 1.00 0.00 C ATOM 1034 O ARG A 70 -1.584 4.668 -5.569 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.017 5.194 -7.407 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.359 5.684 -7.949 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.305 7.079 -8.573 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.668 7.518 -8.905 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.124 8.106 -9.991 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.369 8.383 -11.016 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.381 8.431 -10.048 1.00 0.00 N ATOM 0 H ARG A 70 -2.074 6.949 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.577 5.950 -5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.232 5.461 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.036 4.106 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.718 4.976 -8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.087 5.688 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.843 7.782 -7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.687 7.064 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.367 7.340 -8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.378 8.143 -10.999 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.769 8.840 -11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.996 8.230 -9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.753 8.887 -10.881 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.416 3.943 -4.436 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.794 2.930 -3.577 1.00 0.00 C ATOM 1057 C HIS A 71 -3.376 1.536 -3.793 1.00 0.00 C ATOM 1058 O HIS A 71 -4.592 1.355 -3.898 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.060 3.314 -2.113 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.142 2.667 -1.095 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.161 3.373 -0.398 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.105 1.349 -0.698 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.553 2.480 0.396 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.112 1.265 0.255 1.00 0.00 N ATOM 0 H HIS A 71 -4.427 3.989 -4.310 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.732 2.901 -3.822 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.975 4.396 -2.018 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.089 3.052 -1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.728 0.544 -1.060 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.271 2.705 1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.846 0.424 0.767 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.513 0.529 -3.789 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.882 -0.876 -3.864 1.00 0.00 C ATOM 1074 C GLU A 72 -1.977 -1.673 -2.918 1.00 0.00 C ATOM 1075 O GLU A 72 -0.757 -1.527 -2.924 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.772 -1.367 -5.319 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.816 -2.895 -5.430 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.981 -3.343 -6.895 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.135 -3.442 -7.378 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.958 -3.599 -7.577 1.00 0.00 O ATOM 0 H GLU A 72 -1.505 0.673 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.916 -1.019 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.586 -0.940 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.841 -1.001 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.900 -3.319 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.642 -3.282 -4.833 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.580 -2.549 -2.125 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.903 -3.492 -1.244 1.00 0.00 C ATOM 1089 C TYR A 73 -2.551 -4.852 -1.484 1.00 0.00 C ATOM 1090 O TYR A 73 -3.773 -4.982 -1.415 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.015 -3.065 0.226 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.821 -4.195 1.232 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.577 -4.841 1.391 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.922 -4.630 1.991 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.426 -5.889 2.322 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.779 -5.668 2.927 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.527 -6.285 3.117 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.403 -7.241 4.077 1.00 0.00 O ATOM 0 H TYR A 73 -3.596 -2.625 -2.076 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.836 -3.529 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.274 -2.290 0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.996 -2.617 0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.268 -4.530 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.886 -4.162 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.526 -6.387 2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.632 -5.994 3.503 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.522 -7.665 4.005 1.00 0.00 H new ATOM 1108 N THR A 74 -1.751 -5.867 -1.783 1.00 0.00 N ATOM 1109 CA THR A 74 -2.252 -7.225 -2.026 1.00 0.00 C ATOM 1110 C THR A 74 -1.448 -8.199 -1.161 1.00 0.00 C ATOM 1111 O THR A 74 -0.226 -8.097 -1.037 1.00 0.00 O ATOM 1112 CB THR A 74 -2.230 -7.623 -3.521 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.032 -8.239 -3.934 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.438 -6.451 -4.495 1.00 0.00 C ATOM 0 H THR A 74 -0.738 -5.779 -1.865 1.00 0.00 H new ATOM 0 HA THR A 74 -3.304 -7.263 -1.744 1.00 0.00 H new ATOM 0 HB THR A 74 -3.068 -8.319 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.291 -7.603 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.408 -6.820 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.406 -5.987 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.648 -5.714 -4.351 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.132 -9.138 -0.518 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.526 -10.137 0.366 1.00 0.00 C ATOM 1124 C PHE A 75 -2.004 -11.544 -0.028 1.00 0.00 C ATOM 1125 O PHE A 75 -3.203 -11.765 -0.102 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.881 -9.808 1.820 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.668 -10.977 2.749 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.364 -11.290 3.152 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.737 -11.818 3.118 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.119 -12.425 3.926 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.487 -12.975 3.876 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.174 -13.283 4.272 1.00 0.00 C ATOM 0 H PHE A 75 -3.145 -9.231 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.441 -10.116 0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.275 -8.967 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.923 -9.492 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.456 -10.650 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.746 -11.574 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.885 -12.643 4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.303 -13.626 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.977 -14.179 4.842 1.00 0.00 H new ATOM 1142 N SER A 76 -1.100 -12.499 -0.256 1.00 0.00 N ATOM 1143 CA SER A 76 -1.377 -13.879 -0.713 1.00 0.00 C ATOM 1144 C SER A 76 -0.725 -14.952 0.158 1.00 0.00 C ATOM 1145 O SER A 76 0.399 -14.786 0.607 1.00 0.00 O ATOM 1146 CB SER A 76 -0.848 -14.083 -2.142 1.00 0.00 C ATOM 1147 OG SER A 76 -1.816 -13.764 -3.120 1.00 0.00 O ATOM 0 H SER A 76 -0.103 -12.331 -0.123 1.00 0.00 H new ATOM 0 HA SER A 76 -2.460 -13.989 -0.656 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.036 -13.463 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.535 -15.120 -2.267 1.00 0.00 H new ATOM 0 HG SER A 76 -1.438 -13.906 -4.013 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.394 -16.084 0.382 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.806 -17.233 1.107 1.00 0.00 C ATOM 1155 C ILE A 77 -0.555 -18.389 0.130 1.00 0.00 C ATOM 1156 O ILE A 77 -1.489 -18.869 -0.517 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.678 -17.667 2.306 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.913 -16.447 3.220 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.011 -18.854 3.031 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.380 -16.752 4.646 1.00 0.00 C ATOM 0 H ILE A 77 -2.353 -16.239 0.072 1.00 0.00 H new ATOM 0 HA ILE A 77 0.151 -16.923 1.527 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.656 -18.017 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.985 -15.878 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.654 -15.802 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.629 -19.158 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.906 -19.690 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.027 -18.554 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.511 -15.819 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.328 -17.289 4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.633 -17.366 5.150 1.00 0.00 H new ATOM 1172 N MET A 78 0.704 -18.839 0.031 1.00 0.00 N ATOM 1173 CA MET A 78 1.129 -19.962 -0.815 1.00 0.00 C ATOM 1174 C MET A 78 1.757 -21.131 -0.039 1.00 0.00 C ATOM 1175 O MET A 78 2.849 -20.985 0.501 1.00 0.00 O ATOM 1176 CB MET A 78 2.045 -19.486 -1.958 1.00 0.00 C ATOM 1177 CG MET A 78 3.217 -18.585 -1.526 1.00 0.00 C ATOM 1178 SD MET A 78 4.631 -18.512 -2.668 1.00 0.00 S ATOM 1179 CE MET A 78 3.805 -18.295 -4.266 1.00 0.00 C ATOM 0 H MET A 78 1.475 -18.420 0.551 1.00 0.00 H new ATOM 0 HA MET A 78 0.213 -20.364 -1.249 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.449 -20.361 -2.467 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.440 -18.945 -2.686 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.838 -17.573 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.576 -18.930 -0.556 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.550 -18.093 -5.036 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.258 -19.203 -4.519 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.110 -17.458 -4.205 1.00 0.00 H new ATOM 1189 N ASP A 79 1.113 -22.302 -0.060 1.00 0.00 N ATOM 1190 CA ASP A 79 1.536 -23.597 0.521 1.00 0.00 C ATOM 1191 C ASP A 79 1.975 -23.604 2.007 1.00 0.00 C ATOM 1192 O ASP A 79 1.270 -24.147 2.859 1.00 0.00 O ATOM 1193 CB ASP A 79 2.628 -24.187 -0.391 1.00 0.00 C ATOM 1194 CG ASP A 79 2.941 -25.669 -0.111 1.00 0.00 C ATOM 1195 OD1 ASP A 79 2.030 -26.433 0.290 1.00 0.00 O ATOM 1196 OD2 ASP A 79 4.097 -26.093 -0.352 1.00 0.00 O ATOM 0 H ASP A 79 0.206 -22.384 -0.520 1.00 0.00 H new ATOM 0 HA ASP A 79 0.639 -24.215 0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.316 -24.082 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.541 -23.604 -0.272 1.00 0.00 H new ATOM 1201 N GLU A 80 3.112 -22.984 2.330 1.00 0.00 N ATOM 1202 CA GLU A 80 3.696 -22.852 3.674 1.00 0.00 C ATOM 1203 C GLU A 80 4.199 -21.428 3.950 1.00 0.00 C ATOM 1204 O GLU A 80 4.860 -21.203 4.961 1.00 0.00 O ATOM 1205 CB GLU A 80 4.902 -23.791 3.871 1.00 0.00 C ATOM 1206 CG GLU A 80 4.727 -25.210 3.333 1.00 0.00 C ATOM 1207 CD GLU A 80 5.853 -26.140 3.826 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.986 -26.078 3.287 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.612 -26.953 4.752 1.00 0.00 O ATOM 0 H GLU A 80 3.688 -22.532 1.620 1.00 0.00 H new ATOM 0 HA GLU A 80 2.889 -23.111 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.771 -23.343 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.124 -23.850 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.762 -25.605 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.721 -25.190 2.243 1.00 0.00 H new ATOM 1216 N PHE A 81 3.961 -20.461 3.060 1.00 0.00 N ATOM 1217 CA PHE A 81 4.504 -19.112 3.230 1.00 0.00 C ATOM 1218 C PHE A 81 3.401 -18.071 2.997 1.00 0.00 C ATOM 1219 O PHE A 81 2.320 -18.364 2.477 1.00 0.00 O ATOM 1220 CB PHE A 81 5.612 -18.836 2.189 1.00 0.00 C ATOM 1221 CG PHE A 81 6.427 -20.014 1.687 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.127 -20.882 2.543 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.401 -20.277 0.307 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.830 -21.980 2.010 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.085 -21.376 -0.229 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.813 -22.226 0.624 1.00 0.00 C ATOM 0 H PHE A 81 3.399 -20.587 2.218 1.00 0.00 H new ATOM 0 HA PHE A 81 4.904 -19.043 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.148 -18.359 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.303 -18.112 2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.126 -20.707 3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.846 -19.623 -0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.384 -22.635 2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.054 -21.570 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.357 -23.065 0.216 1.00 0.00 H new ATOM 1236 N GLN A 82 3.722 -16.823 3.310 1.00 0.00 N ATOM 1237 CA GLN A 82 2.870 -15.660 3.093 1.00 0.00 C ATOM 1238 C GLN A 82 3.598 -14.658 2.208 1.00 0.00 C ATOM 1239 O GLN A 82 4.795 -14.462 2.367 1.00 0.00 O ATOM 1240 CB GLN A 82 2.495 -14.986 4.415 1.00 0.00 C ATOM 1241 CG GLN A 82 2.325 -15.891 5.631 1.00 0.00 C ATOM 1242 CD GLN A 82 1.615 -15.175 6.775 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.436 -15.372 7.035 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.302 -14.319 7.500 1.00 0.00 N ATOM 0 H GLN A 82 4.616 -16.583 3.738 1.00 0.00 H new ATOM 0 HA GLN A 82 1.953 -15.997 2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.262 -14.247 4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.563 -14.442 4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.756 -16.777 5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.303 -16.234 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.286 -14.148 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.851 -13.826 8.271 1.00 0.00 H new ATOM 1253 N GLU A 83 2.872 -13.983 1.332 1.00 0.00 N ATOM 1254 CA GLU A 83 3.355 -12.995 0.370 1.00 0.00 C ATOM 1255 C GLU A 83 2.645 -11.669 0.605 1.00 0.00 C ATOM 1256 O GLU A 83 1.419 -11.605 0.663 1.00 0.00 O ATOM 1257 CB GLU A 83 3.043 -13.420 -1.081 1.00 0.00 C ATOM 1258 CG GLU A 83 4.115 -14.290 -1.735 1.00 0.00 C ATOM 1259 CD GLU A 83 3.785 -14.572 -3.216 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.630 -14.943 -3.536 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.684 -14.416 -4.079 1.00 0.00 O ATOM 0 H GLU A 83 1.863 -14.116 1.266 1.00 0.00 H new ATOM 0 HA GLU A 83 4.433 -12.908 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.098 -13.963 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.903 -12.524 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.082 -13.793 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.201 -15.232 -1.194 1.00 0.00 H new ATOM 1268 N TYR A 84 3.425 -10.606 0.681 1.00 0.00 N ATOM 1269 CA TYR A 84 2.958 -9.240 0.875 1.00 0.00 C ATOM 1270 C TYR A 84 3.446 -8.378 -0.274 1.00 0.00 C ATOM 1271 O TYR A 84 4.634 -8.408 -0.588 1.00 0.00 O ATOM 1272 CB TYR A 84 3.556 -8.684 2.166 1.00 0.00 C ATOM 1273 CG TYR A 84 3.030 -9.356 3.419 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.620 -10.544 3.899 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.897 -8.821 4.059 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.093 -11.187 5.036 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.390 -9.437 5.220 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.996 -10.614 5.719 1.00 0.00 C ATOM 1279 OH TYR A 84 1.500 -11.225 6.829 1.00 0.00 O ATOM 0 H TYR A 84 4.440 -10.670 0.607 1.00 0.00 H new ATOM 0 HA TYR A 84 1.869 -9.234 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.640 -8.796 2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.347 -7.616 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.478 -10.962 3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.417 -7.939 3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.525 -12.113 5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.538 -9.011 5.729 1.00 0.00 H new ATOM 0 HH TYR A 84 0.748 -10.704 7.181 1.00 0.00 H new ATOM 1289 N THR A 85 2.560 -7.607 -0.897 1.00 0.00 N ATOM 1290 CA THR A 85 2.934 -6.688 -1.974 1.00 0.00 C ATOM 1291 C THR A 85 2.158 -5.376 -1.822 1.00 0.00 C ATOM 1292 O THR A 85 0.993 -5.348 -1.429 1.00 0.00 O ATOM 1293 CB THR A 85 2.757 -7.287 -3.391 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.472 -7.037 -3.918 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.929 -8.812 -3.470 1.00 0.00 C ATOM 0 H THR A 85 1.565 -7.599 -0.673 1.00 0.00 H new ATOM 0 HA THR A 85 4.002 -6.495 -1.876 1.00 0.00 H new ATOM 0 HB THR A 85 3.547 -6.793 -3.957 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.403 -7.430 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.787 -9.141 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.931 -9.083 -3.137 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.191 -9.295 -2.830 1.00 0.00 H new ATOM 1303 N MET A 86 2.803 -4.262 -2.127 1.00 0.00 N ATOM 1304 CA MET A 86 2.242 -2.913 -2.100 1.00 0.00 C ATOM 1305 C MET A 86 2.735 -2.136 -3.319 1.00 0.00 C ATOM 1306 O MET A 86 3.865 -2.312 -3.776 1.00 0.00 O ATOM 1307 CB MET A 86 2.626 -2.233 -0.784 1.00 0.00 C ATOM 1308 CG MET A 86 2.200 -0.767 -0.701 1.00 0.00 C ATOM 1309 SD MET A 86 2.704 0.076 0.824 1.00 0.00 S ATOM 1310 CE MET A 86 4.400 0.548 0.375 1.00 0.00 C ATOM 0 H MET A 86 3.781 -4.270 -2.415 1.00 0.00 H new ATOM 0 HA MET A 86 1.154 -2.947 -2.149 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.174 -2.781 0.043 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.707 -2.296 -0.655 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.618 -0.231 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.115 -0.711 -0.791 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.931 0.886 1.265 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.916 -0.312 -0.051 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.371 1.354 -0.358 1.00 0.00 H new ATOM 1320 N LEU A 87 1.863 -1.281 -3.835 1.00 0.00 N ATOM 1321 CA LEU A 87 2.087 -0.426 -5.001 1.00 0.00 C ATOM 1322 C LEU A 87 1.230 0.854 -4.899 1.00 0.00 C ATOM 1323 O LEU A 87 0.019 0.832 -5.121 1.00 0.00 O ATOM 1324 CB LEU A 87 1.713 -1.236 -6.256 1.00 0.00 C ATOM 1325 CG LEU A 87 2.113 -0.546 -7.561 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.548 -0.900 -7.932 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.195 -0.950 -8.714 1.00 0.00 C ATOM 0 H LEU A 87 0.933 -1.156 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 87 3.131 -0.117 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.195 -2.213 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.637 -1.411 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 87 2.023 0.528 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.817 -0.401 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.220 -0.574 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.635 -1.979 -8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.509 -0.440 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.252 -2.028 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.169 -0.670 -8.477 1.00 0.00 H new ATOM 1339 N CYS A 88 1.871 1.972 -4.582 1.00 0.00 N ATOM 1340 CA CYS A 88 1.282 3.300 -4.455 1.00 0.00 C ATOM 1341 C CYS A 88 2.247 4.360 -5.005 1.00 0.00 C ATOM 1342 O CYS A 88 3.451 4.319 -4.727 1.00 0.00 O ATOM 1343 CB CYS A 88 0.986 3.583 -2.977 1.00 0.00 C ATOM 1344 SG CYS A 88 0.372 5.288 -2.740 1.00 0.00 S ATOM 0 H CYS A 88 2.874 1.977 -4.396 1.00 0.00 H new ATOM 0 HA CYS A 88 0.355 3.339 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.245 2.873 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.891 3.434 -2.387 1.00 0.00 H new ATOM 1349 N LEU A 89 1.715 5.321 -5.766 1.00 0.00 N ATOM 1350 CA LEU A 89 2.470 6.449 -6.318 1.00 0.00 C ATOM 1351 C LEU A 89 3.126 7.294 -5.212 1.00 0.00 C ATOM 1352 O LEU A 89 4.239 7.785 -5.407 1.00 0.00 O ATOM 1353 CB LEU A 89 1.521 7.280 -7.210 1.00 0.00 C ATOM 1354 CG LEU A 89 2.062 8.646 -7.676 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.278 8.522 -8.575 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.038 9.436 -8.490 1.00 0.00 C ATOM 0 H LEU A 89 0.727 5.337 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 89 3.295 6.077 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.272 6.689 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.592 7.445 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 89 2.310 9.156 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.614 9.516 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.078 8.014 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.016 7.947 -9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.471 10.389 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.760 8.866 -9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.151 9.617 -7.882 1.00 0.00 H new ATOM 1368 N LEU A 90 2.468 7.424 -4.057 1.00 0.00 N ATOM 1369 CA LEU A 90 2.948 8.170 -2.900 1.00 0.00 C ATOM 1370 C LEU A 90 3.635 7.250 -1.892 1.00 0.00 C ATOM 1371 O LEU A 90 4.819 7.430 -1.606 1.00 0.00 O ATOM 1372 CB LEU A 90 1.745 8.862 -2.228 1.00 0.00 C ATOM 1373 CG LEU A 90 2.058 9.460 -0.841 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.171 10.499 -0.913 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.814 10.112 -0.243 1.00 0.00 C ATOM 0 H LEU A 90 1.555 6.996 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 90 3.679 8.906 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.385 9.656 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.934 8.140 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 90 2.387 8.636 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.362 10.897 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.078 10.034 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.869 11.310 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.056 10.528 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.469 10.910 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.028 9.365 -0.135 1.00 0.00 H new ATOM 1387 N CYS A 91 2.888 6.317 -1.317 1.00 0.00 N ATOM 1388 CA CYS A 91 3.349 5.462 -0.242 1.00 0.00 C ATOM 1389 C CYS A 91 4.500 4.539 -0.651 1.00 0.00 C ATOM 1390 O CYS A 91 5.432 4.345 0.134 1.00 0.00 O ATOM 1391 CB CYS A 91 2.152 4.711 0.344 1.00 0.00 C ATOM 1392 SG CYS A 91 0.910 5.886 0.963 1.00 0.00 S ATOM 0 H CYS A 91 1.924 6.133 -1.594 1.00 0.00 H new ATOM 0 HA CYS A 91 3.783 6.089 0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.708 4.070 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.483 4.061 1.154 1.00 0.00 H new ATOM 1397 N GLY A 92 4.472 4.020 -1.881 1.00 0.00 N ATOM 1398 CA GLY A 92 5.575 3.251 -2.449 1.00 0.00 C ATOM 1399 C GLY A 92 5.248 1.880 -3.029 1.00 0.00 C ATOM 1400 O GLY A 92 4.134 1.370 -2.926 1.00 0.00 O ATOM 0 H GLY A 92 3.677 4.124 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.033 3.850 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.328 3.117 -1.672 1.00 0.00 H new ATOM 1404 N LYS A 93 6.274 1.266 -3.622 1.00 0.00 N ATOM 1405 CA LYS A 93 6.252 -0.087 -4.183 1.00 0.00 C ATOM 1406 C LYS A 93 7.148 -1.013 -3.366 1.00 0.00 C ATOM 1407 O LYS A 93 8.349 -0.783 -3.253 1.00 0.00 O ATOM 1408 CB LYS A 93 6.659 -0.015 -5.652 1.00 0.00 C ATOM 1409 CG LYS A 93 7.029 -1.373 -6.276 1.00 0.00 C ATOM 1410 CD LYS A 93 7.446 -1.238 -7.753 1.00 0.00 C ATOM 1411 CE LYS A 93 8.939 -0.953 -8.006 1.00 0.00 C ATOM 1412 NZ LYS A 93 9.416 0.356 -7.481 1.00 0.00 N ATOM 0 H LYS A 93 7.182 1.718 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 93 5.248 -0.508 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.840 0.422 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.510 0.659 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.845 -1.822 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.178 -2.050 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.178 -2.159 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.861 -0.436 -8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.530 -1.749 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.126 -0.989 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.160 0.730 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.622 1.027 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.800 0.227 -6.523 1.00 0.00 H new ATOM 1426 N ALA A 94 6.560 -2.047 -2.781 1.00 0.00 N ATOM 1427 CA ALA A 94 7.257 -3.014 -1.943 1.00 0.00 C ATOM 1428 C ALA A 94 6.743 -4.457 -2.085 1.00 0.00 C ATOM 1429 O ALA A 94 5.596 -4.681 -2.470 1.00 0.00 O ATOM 1430 CB ALA A 94 7.151 -2.523 -0.497 1.00 0.00 C ATOM 0 H ALA A 94 5.563 -2.242 -2.878 1.00 0.00 H new ATOM 0 HA ALA A 94 8.296 -3.069 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.663 -3.223 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.613 -1.540 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.101 -2.456 -0.211 1.00 0.00 H new ATOM 1436 N GLU A 95 7.581 -5.438 -1.743 1.00 0.00 N ATOM 1437 CA GLU A 95 7.216 -6.861 -1.708 1.00 0.00 C ATOM 1438 C GLU A 95 8.049 -7.615 -0.655 1.00 0.00 C ATOM 1439 O GLU A 95 9.257 -7.399 -0.543 1.00 0.00 O ATOM 1440 CB GLU A 95 7.397 -7.467 -3.109 1.00 0.00 C ATOM 1441 CG GLU A 95 7.115 -8.972 -3.196 1.00 0.00 C ATOM 1442 CD GLU A 95 7.250 -9.465 -4.649 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.272 -9.356 -5.429 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.340 -9.962 -5.028 1.00 0.00 O ATOM 0 H GLU A 95 8.551 -5.265 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 95 6.170 -6.958 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.737 -6.947 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.419 -7.283 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.810 -9.515 -2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.111 -9.181 -2.827 1.00 0.00 H new ATOM 1451 N ASP A 96 7.409 -8.504 0.108 1.00 0.00 N ATOM 1452 CA ASP A 96 8.008 -9.349 1.144 1.00 0.00 C ATOM 1453 C ASP A 96 7.394 -10.756 1.159 1.00 0.00 C ATOM 1454 O ASP A 96 6.218 -10.920 0.828 1.00 0.00 O ATOM 1455 CB ASP A 96 7.810 -8.714 2.533 1.00 0.00 C ATOM 1456 CG ASP A 96 8.894 -9.164 3.527 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.100 -9.052 3.200 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.542 -9.628 4.637 1.00 0.00 O ATOM 0 H ASP A 96 6.406 -8.662 0.015 1.00 0.00 H new ATOM 0 HA ASP A 96 9.070 -9.431 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.829 -7.628 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.827 -8.985 2.920 1.00 0.00 H new ATOM 1463 N THR A 97 8.148 -11.765 1.602 1.00 0.00 N ATOM 1464 CA THR A 97 7.631 -13.135 1.764 1.00 0.00 C ATOM 1465 C THR A 97 8.104 -13.739 3.091 1.00 0.00 C ATOM 1466 O THR A 97 9.286 -13.642 3.430 1.00 0.00 O ATOM 1467 CB THR A 97 8.005 -14.066 0.598 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.026 -13.397 -0.650 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.993 -15.202 0.471 1.00 0.00 C ATOM 0 H THR A 97 9.130 -11.661 1.859 1.00 0.00 H new ATOM 0 HA THR A 97 6.544 -13.051 1.767 1.00 0.00 H new ATOM 0 HB THR A 97 9.003 -14.439 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.270 -14.031 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.275 -15.849 -0.359 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.979 -15.781 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.002 -14.787 0.287 1.00 0.00 H new ATOM 1477 N ILE A 98 7.186 -14.346 3.854 1.00 0.00 N ATOM 1478 CA ILE A 98 7.434 -14.932 5.183 1.00 0.00 C ATOM 1479 C ILE A 98 7.067 -16.414 5.209 1.00 0.00 C ATOM 1480 O ILE A 98 5.934 -16.764 4.902 1.00 0.00 O ATOM 1481 CB ILE A 98 6.606 -14.214 6.277 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.526 -12.685 6.069 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.189 -14.560 7.654 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.806 -11.910 7.182 1.00 0.00 C ATOM 0 H ILE A 98 6.216 -14.448 3.555 1.00 0.00 H new ATOM 0 HA ILE A 98 8.498 -14.809 5.384 1.00 0.00 H new ATOM 0 HB ILE A 98 5.579 -14.572 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.539 -12.294 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.018 -12.489 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.611 -14.058 8.430 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.144 -15.638 7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.227 -14.230 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.804 -10.847 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.779 -12.265 7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.324 -12.067 8.128 1.00 0.00 H new ATOM 1496 N SER A 99 7.965 -17.291 5.639 1.00 0.00 N ATOM 1497 CA SER A 99 7.640 -18.716 5.808 1.00 0.00 C ATOM 1498 C SER A 99 6.922 -18.943 7.147 1.00 0.00 C ATOM 1499 O SER A 99 7.280 -18.341 8.165 1.00 0.00 O ATOM 1500 CB SER A 99 8.891 -19.583 5.654 1.00 0.00 C ATOM 1501 OG SER A 99 9.940 -19.160 6.515 1.00 0.00 O ATOM 0 H SER A 99 8.926 -17.048 5.879 1.00 0.00 H new ATOM 0 HA SER A 99 6.953 -19.022 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.641 -20.622 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.233 -19.546 4.620 1.00 0.00 H new ATOM 0 HG SER A 99 10.721 -19.739 6.389 1.00 0.00 H new ATOM 1507 N ILE A 100 5.889 -19.790 7.153 1.00 0.00 N ATOM 1508 CA ILE A 100 5.055 -20.097 8.330 1.00 0.00 C ATOM 1509 C ILE A 100 4.787 -21.608 8.492 1.00 0.00 C ATOM 1510 O ILE A 100 5.218 -22.432 7.684 1.00 0.00 O ATOM 1511 CB ILE A 100 3.762 -19.228 8.350 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.876 -19.277 7.084 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.121 -17.755 8.621 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.130 -20.597 6.866 1.00 0.00 C ATOM 0 H ILE A 100 5.597 -20.298 6.318 1.00 0.00 H new ATOM 0 HA ILE A 100 5.626 -19.819 9.216 1.00 0.00 H new ATOM 0 HB ILE A 100 3.167 -19.674 9.147 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.146 -18.469 7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.502 -19.083 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.211 -17.155 8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.622 -17.674 9.586 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.784 -17.392 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.537 -20.533 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.849 -21.411 6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.472 -20.788 7.714 1.00 0.00 H new ATOM 1526 N LEU A 101 4.098 -21.985 9.574 1.00 0.00 N ATOM 1527 CA LEU A 101 3.758 -23.359 9.958 1.00 0.00 C ATOM 1528 C LEU A 101 2.324 -23.422 10.530 1.00 0.00 C ATOM 1529 O LEU A 101 1.809 -22.390 10.976 1.00 0.00 O ATOM 1530 CB LEU A 101 4.768 -23.774 11.048 1.00 0.00 C ATOM 1531 CG LEU A 101 6.202 -24.063 10.564 1.00 0.00 C ATOM 1532 CD1 LEU A 101 7.100 -24.331 11.773 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.271 -25.285 9.645 1.00 0.00 C ATOM 0 H LEU A 101 3.743 -21.301 10.243 1.00 0.00 H new ATOM 0 HA LEU A 101 3.802 -24.023 9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.811 -22.983 11.796 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.388 -24.665 11.548 1.00 0.00 H new ATOM 0 HG LEU A 101 6.534 -23.189 10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.115 -24.536 11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.104 -23.457 12.424 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.721 -25.192 12.324 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.302 -25.447 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.913 -26.164 10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.647 -25.116 8.767 1.00 0.00 H new ATOM 1545 N PRO A 102 1.677 -24.607 10.586 1.00 0.00 N ATOM 1546 CA PRO A 102 0.335 -24.765 11.166 1.00 0.00 C ATOM 1547 C PRO A 102 0.270 -24.405 12.665 1.00 0.00 C ATOM 1548 O PRO A 102 -0.809 -24.129 13.191 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.065 -26.219 10.895 1.00 0.00 C ATOM 1550 CG PRO A 102 1.271 -26.945 10.759 1.00 0.00 C ATOM 1551 CD PRO A 102 2.170 -25.896 10.110 1.00 0.00 C ATOM 0 HA PRO A 102 -0.365 -24.067 10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.662 -26.628 11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.662 -26.307 9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.657 -27.264 11.727 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.183 -27.839 10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.212 -26.045 10.391 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.122 -25.957 9.023 1.00 0.00 H new ATOM 1559 N ASP A 103 1.420 -24.358 13.349 1.00 0.00 N ATOM 1560 CA ASP A 103 1.570 -23.941 14.752 1.00 0.00 C ATOM 1561 C ASP A 103 1.434 -22.407 14.949 1.00 0.00 C ATOM 1562 O ASP A 103 1.492 -21.915 16.075 1.00 0.00 O ATOM 1563 CB ASP A 103 2.938 -24.445 15.244 1.00 0.00 C ATOM 1564 CG ASP A 103 3.111 -24.341 16.771 1.00 0.00 C ATOM 1565 OD1 ASP A 103 2.291 -24.933 17.517 1.00 0.00 O ATOM 1566 OD2 ASP A 103 4.100 -23.721 17.232 1.00 0.00 O ATOM 0 H ASP A 103 2.309 -24.620 12.924 1.00 0.00 H new ATOM 0 HA ASP A 103 0.761 -24.377 15.338 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.065 -25.484 14.941 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.726 -23.871 14.756 1.00 0.00 H new ATOM 1571 N ASP A 104 1.247 -21.646 13.860 1.00 0.00 N ATOM 1572 CA ASP A 104 1.104 -20.179 13.819 1.00 0.00 C ATOM 1573 C ASP A 104 2.239 -19.397 14.537 1.00 0.00 C ATOM 1574 O ASP A 104 1.976 -18.616 15.458 1.00 0.00 O ATOM 1575 CB ASP A 104 -0.324 -19.794 14.253 1.00 0.00 C ATOM 1576 CG ASP A 104 -0.649 -18.298 14.102 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.161 -17.627 13.161 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -1.462 -17.783 14.905 1.00 0.00 O ATOM 0 H ASP A 104 1.188 -22.060 12.930 1.00 0.00 H new ATOM 0 HA ASP A 104 1.237 -19.855 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.038 -20.370 13.665 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.464 -20.081 15.295 1.00 0.00 H new ATOM 1583 N PRO A 105 3.518 -19.582 14.131 1.00 0.00 N ATOM 1584 CA PRO A 105 4.659 -18.864 14.715 1.00 0.00 C ATOM 1585 C PRO A 105 4.665 -17.365 14.354 1.00 0.00 C ATOM 1586 O PRO A 105 5.221 -16.554 15.097 1.00 0.00 O ATOM 1587 CB PRO A 105 5.902 -19.577 14.169 1.00 0.00 C ATOM 1588 CG PRO A 105 5.441 -20.104 12.810 1.00 0.00 C ATOM 1589 CD PRO A 105 3.978 -20.466 13.065 1.00 0.00 C ATOM 0 HA PRO A 105 4.617 -18.884 15.804 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.746 -18.894 14.070 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.222 -20.386 14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.541 -19.350 12.029 1.00 0.00 H new ATOM 0 HG3 PRO A 105 6.023 -20.970 12.494 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.381 -20.331 12.163 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.881 -21.511 13.358 1.00 0.00 H new ATOM 1597 N ARG A 106 4.017 -17.002 13.232 1.00 0.00 N ATOM 1598 CA ARG A 106 3.809 -15.646 12.684 1.00 0.00 C ATOM 1599 C ARG A 106 5.002 -14.676 12.821 1.00 0.00 C ATOM 1600 O ARG A 106 4.841 -13.524 13.230 1.00 0.00 O ATOM 1601 CB ARG A 106 2.476 -15.108 13.253 1.00 0.00 C ATOM 1602 CG ARG A 106 1.686 -14.342 12.185 1.00 0.00 C ATOM 1603 CD ARG A 106 0.411 -13.697 12.741 1.00 0.00 C ATOM 1604 NE ARG A 106 -0.564 -14.681 13.260 1.00 0.00 N ATOM 1605 CZ ARG A 106 -1.763 -14.395 13.736 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -2.248 -13.182 13.726 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -2.511 -15.325 14.244 1.00 0.00 N ATOM 0 H ARG A 106 3.589 -17.708 12.634 1.00 0.00 H new ATOM 0 HA ARG A 106 3.742 -15.723 11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 106 1.876 -15.938 13.627 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.677 -14.452 14.100 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.321 -13.568 11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.421 -15.023 11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.680 -13.006 13.540 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.062 -13.107 11.956 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.288 -15.663 13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.696 -12.415 13.341 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.178 -13.002 14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.175 -16.287 14.279 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.435 -15.094 14.609 1.00 0.00 H new ATOM 1621 N GLN A 107 6.208 -15.158 12.502 1.00 0.00 N ATOM 1622 CA GLN A 107 7.473 -14.407 12.594 1.00 0.00 C ATOM 1623 C GLN A 107 7.438 -13.012 11.935 1.00 0.00 C ATOM 1624 O GLN A 107 6.889 -12.822 10.841 1.00 0.00 O ATOM 1625 CB GLN A 107 8.651 -15.265 12.093 1.00 0.00 C ATOM 1626 CG GLN A 107 8.640 -15.587 10.585 1.00 0.00 C ATOM 1627 CD GLN A 107 9.864 -16.397 10.146 1.00 0.00 C ATOM 1628 OE1 GLN A 107 10.996 -16.142 10.540 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.700 -17.401 9.313 1.00 0.00 N ATOM 0 H GLN A 107 6.339 -16.111 12.162 1.00 0.00 H new ATOM 0 HA GLN A 107 7.624 -14.196 13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.581 -14.749 12.330 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.657 -16.203 12.648 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.735 -16.144 10.343 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.603 -14.656 10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.767 -17.633 8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.505 -17.948 9.009 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.725 17.539 -6.409 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.122 20.185 -3.662 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.568 5.342 -0.678 1.00 0.00 ZN