USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 GLN : amide:sc= 0.391 X(o=0.39,f=0) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0.0898 USER MOD Set 2.2: A 48 ASN : amide:sc= -0.181 X(o=-0.092,f=0.00098) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.164 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 23 MET CE :methyl 145:sc= -0.259 (180deg=-1.78!) USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00972 USER MOD Single : A 27 SER OG : rot -60:sc= 1.95 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00643 USER MOD Single : A 36 CYS SG : rot -150:sc= 0.123 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.508 K(o=0.51,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 81:sc= 0.136 USER MOD Single : A 52 GLN : amide:sc= 0.577 K(o=0.58,f=-0.15) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 172:sc= -0.11 (180deg=-0.382) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0127 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00957 K(o=-0.0096,f=-1.5!) USER MOD Single : A 63 MET CE :methyl 163:sc= -0.497 (180deg=-1.01) USER MOD Single : A 66 CYS SG : rot -14:sc= 0.0798 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0704 USER MOD Single : A 82 HIS : no HD1:sc= -0.45 K(o=-0.45,f=-2.3) USER MOD Single : A 84 SER OG : rot -131:sc= 1.16 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.212 22.543 0.596 1.00 0.00 N ATOM 2 CA GLY A 1 4.899 23.686 -0.265 1.00 0.00 C ATOM 3 C GLY A 1 5.600 23.528 -1.604 1.00 0.00 C ATOM 4 O GLY A 1 5.223 22.668 -2.401 1.00 0.00 O ATOM 0 H1 GLY A 1 4.730 22.655 1.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.889 21.666 0.140 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.240 22.495 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.822 23.757 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.216 24.612 0.215 1.00 0.00 H new ATOM 8 N SER A 2 6.629 24.333 -1.872 1.00 0.00 N ATOM 9 CA SER A 2 7.378 24.308 -3.120 1.00 0.00 C ATOM 10 C SER A 2 8.834 23.923 -2.847 1.00 0.00 C ATOM 11 O SER A 2 9.627 24.757 -2.401 1.00 0.00 O ATOM 12 CB SER A 2 7.212 25.676 -3.794 1.00 0.00 C ATOM 13 OG SER A 2 5.893 25.814 -4.299 1.00 0.00 O ATOM 0 H SER A 2 6.968 25.033 -1.212 1.00 0.00 H new ATOM 0 HA SER A 2 7.000 23.551 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.420 26.471 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.933 25.781 -4.605 1.00 0.00 H new ATOM 0 HG SER A 2 5.796 26.691 -4.726 1.00 0.00 H new ATOM 19 N SER A 3 9.168 22.659 -3.100 1.00 0.00 N ATOM 20 CA SER A 3 10.481 22.049 -2.930 1.00 0.00 C ATOM 21 C SER A 3 10.747 21.103 -4.107 1.00 0.00 C ATOM 22 O SER A 3 9.940 21.017 -5.037 1.00 0.00 O ATOM 23 CB SER A 3 10.492 21.223 -1.634 1.00 0.00 C ATOM 24 OG SER A 3 10.126 21.978 -0.495 1.00 0.00 O ATOM 0 H SER A 3 8.482 21.992 -3.452 1.00 0.00 H new ATOM 0 HA SER A 3 11.243 22.827 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.808 20.381 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.488 20.807 -1.483 1.00 0.00 H new ATOM 0 HG SER A 3 10.148 21.404 0.299 1.00 0.00 H new ATOM 30 N GLY A 4 11.908 20.448 -4.109 1.00 0.00 N ATOM 31 CA GLY A 4 12.273 19.480 -5.131 1.00 0.00 C ATOM 32 C GLY A 4 11.600 18.163 -4.742 1.00 0.00 C ATOM 33 O GLY A 4 11.417 17.904 -3.547 1.00 0.00 O ATOM 0 H GLY A 4 12.624 20.579 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.940 19.810 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.355 19.362 -5.184 1.00 0.00 H new ATOM 37 N SER A 5 11.267 17.332 -5.730 1.00 0.00 N ATOM 38 CA SER A 5 10.596 16.050 -5.549 1.00 0.00 C ATOM 39 C SER A 5 11.240 15.189 -4.462 1.00 0.00 C ATOM 40 O SER A 5 12.443 14.917 -4.491 1.00 0.00 O ATOM 41 CB SER A 5 10.486 15.349 -6.905 1.00 0.00 C ATOM 42 OG SER A 5 9.747 16.196 -7.776 1.00 0.00 O ATOM 0 H SER A 5 11.464 17.542 -6.708 1.00 0.00 H new ATOM 0 HA SER A 5 9.587 16.227 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.477 15.152 -7.314 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.988 14.385 -6.797 1.00 0.00 H new ATOM 0 HG SER A 5 9.664 15.769 -8.654 1.00 0.00 H new ATOM 48 N SER A 6 10.403 14.776 -3.510 1.00 0.00 N ATOM 49 CA SER A 6 10.726 13.973 -2.343 1.00 0.00 C ATOM 50 C SER A 6 11.147 12.532 -2.624 1.00 0.00 C ATOM 51 O SER A 6 11.793 11.944 -1.753 1.00 0.00 O ATOM 52 CB SER A 6 9.512 13.967 -1.393 1.00 0.00 C ATOM 53 OG SER A 6 8.289 14.372 -2.002 1.00 0.00 O ATOM 0 H SER A 6 9.412 15.014 -3.542 1.00 0.00 H new ATOM 0 HA SER A 6 11.603 14.445 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.387 12.963 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.721 14.627 -0.551 1.00 0.00 H new ATOM 0 HG SER A 6 7.568 14.341 -1.339 1.00 0.00 H new ATOM 59 N GLY A 7 10.812 11.973 -3.789 1.00 0.00 N ATOM 60 CA GLY A 7 11.134 10.602 -4.153 1.00 0.00 C ATOM 61 C GLY A 7 12.614 10.289 -4.000 1.00 0.00 C ATOM 62 O GLY A 7 12.975 9.406 -3.211 1.00 0.00 O ATOM 0 H GLY A 7 10.300 12.474 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.556 9.919 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.834 10.424 -5.186 1.00 0.00 H new ATOM 66 N PHE A 8 13.459 11.054 -4.701 1.00 0.00 N ATOM 67 CA PHE A 8 14.916 10.918 -4.713 1.00 0.00 C ATOM 68 C PHE A 8 15.337 9.504 -5.152 1.00 0.00 C ATOM 69 O PHE A 8 14.509 8.692 -5.582 1.00 0.00 O ATOM 70 CB PHE A 8 15.474 11.334 -3.338 1.00 0.00 C ATOM 71 CG PHE A 8 16.944 11.706 -3.288 1.00 0.00 C ATOM 72 CD1 PHE A 8 17.356 12.980 -3.720 1.00 0.00 C ATOM 73 CD2 PHE A 8 17.890 10.811 -2.747 1.00 0.00 C ATOM 74 CE1 PHE A 8 18.702 13.365 -3.600 1.00 0.00 C ATOM 75 CE2 PHE A 8 19.238 11.190 -2.644 1.00 0.00 C ATOM 76 CZ PHE A 8 19.641 12.471 -3.057 1.00 0.00 C ATOM 0 H PHE A 8 13.132 11.814 -5.298 1.00 0.00 H new ATOM 0 HA PHE A 8 15.350 11.588 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.895 12.184 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.306 10.514 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 8 16.636 13.664 -4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 8 17.577 9.833 -2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 8 19.015 14.346 -3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 8 19.965 10.497 -2.247 1.00 0.00 H new ATOM 0 HZ PHE A 8 20.674 12.769 -2.957 1.00 0.00 H new ATOM 86 N GLU A 9 16.636 9.213 -5.093 1.00 0.00 N ATOM 87 CA GLU A 9 17.198 7.916 -5.430 1.00 0.00 C ATOM 88 C GLU A 9 18.089 7.496 -4.250 1.00 0.00 C ATOM 89 O GLU A 9 19.298 7.747 -4.266 1.00 0.00 O ATOM 90 CB GLU A 9 17.893 7.917 -6.801 1.00 0.00 C ATOM 91 CG GLU A 9 18.233 6.462 -7.155 1.00 0.00 C ATOM 92 CD GLU A 9 18.651 6.271 -8.608 1.00 0.00 C ATOM 93 OE1 GLU A 9 17.751 6.265 -9.479 1.00 0.00 O ATOM 94 OE2 GLU A 9 19.868 6.083 -8.858 1.00 0.00 O ATOM 0 H GLU A 9 17.339 9.892 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 9 16.418 7.166 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.242 8.353 -7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.798 8.524 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.038 6.117 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.366 5.834 -6.949 1.00 0.00 H new ATOM 101 N PRO A 10 17.493 6.945 -3.176 1.00 0.00 N ATOM 102 CA PRO A 10 18.226 6.494 -2.000 1.00 0.00 C ATOM 103 C PRO A 10 19.037 5.237 -2.339 1.00 0.00 C ATOM 104 O PRO A 10 18.780 4.570 -3.350 1.00 0.00 O ATOM 105 CB PRO A 10 17.154 6.214 -0.945 1.00 0.00 C ATOM 106 CG PRO A 10 15.956 5.778 -1.780 1.00 0.00 C ATOM 107 CD PRO A 10 16.083 6.619 -3.041 1.00 0.00 C ATOM 0 HA PRO A 10 18.944 7.231 -1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.466 5.435 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.931 7.100 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.988 4.712 -2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.015 5.968 -1.263 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.726 6.069 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.480 7.524 -2.967 1.00 0.00 H new ATOM 115 N ARG A 11 20.015 4.906 -1.491 1.00 0.00 N ATOM 116 CA ARG A 11 20.856 3.737 -1.718 1.00 0.00 C ATOM 117 C ARG A 11 20.056 2.462 -1.507 1.00 0.00 C ATOM 118 O ARG A 11 19.232 2.375 -0.594 1.00 0.00 O ATOM 119 CB ARG A 11 22.101 3.755 -0.813 1.00 0.00 C ATOM 120 CG ARG A 11 23.367 3.624 -1.668 1.00 0.00 C ATOM 121 CD ARG A 11 24.614 3.602 -0.783 1.00 0.00 C ATOM 122 NE ARG A 11 25.840 3.692 -1.590 1.00 0.00 N ATOM 123 CZ ARG A 11 26.676 2.696 -1.908 1.00 0.00 C ATOM 124 NH1 ARG A 11 26.458 1.447 -1.502 1.00 0.00 N ATOM 125 NH2 ARG A 11 27.731 2.974 -2.667 1.00 0.00 N ATOM 0 H ARG A 11 20.240 5.431 -0.646 1.00 0.00 H new ATOM 0 HA ARG A 11 21.201 3.767 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.132 4.682 -0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.051 2.938 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 11 23.319 2.711 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.427 4.456 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.578 4.433 -0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 11 24.629 2.685 -0.194 1.00 0.00 H new ATOM 0 HE ARG A 11 26.080 4.617 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.638 1.231 -0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.111 0.706 -1.758 1.00 0.00 H new ATOM 0 HH21 ARG A 11 27.888 3.928 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.384 2.234 -2.924 1.00 0.00 H new ATOM 139 N SER A 12 20.335 1.465 -2.333 1.00 0.00 N ATOM 140 CA SER A 12 19.699 0.164 -2.290 1.00 0.00 C ATOM 141 C SER A 12 20.394 -0.666 -1.205 1.00 0.00 C ATOM 142 O SER A 12 21.628 -0.760 -1.205 1.00 0.00 O ATOM 143 CB SER A 12 19.858 -0.484 -3.673 1.00 0.00 C ATOM 144 OG SER A 12 19.467 0.422 -4.699 1.00 0.00 O ATOM 0 H SER A 12 21.032 1.545 -3.073 1.00 0.00 H new ATOM 0 HA SER A 12 18.637 0.234 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.895 -0.785 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.252 -1.388 -3.729 1.00 0.00 H new ATOM 0 HG SER A 12 19.576 -0.007 -5.573 1.00 0.00 H new ATOM 150 N LEU A 13 19.643 -1.200 -0.238 1.00 0.00 N ATOM 151 CA LEU A 13 20.205 -2.035 0.826 1.00 0.00 C ATOM 152 C LEU A 13 20.505 -3.412 0.244 1.00 0.00 C ATOM 153 O LEU A 13 20.005 -3.768 -0.824 1.00 0.00 O ATOM 154 CB LEU A 13 19.226 -2.174 2.014 1.00 0.00 C ATOM 155 CG LEU A 13 19.587 -1.331 3.251 1.00 0.00 C ATOM 156 CD1 LEU A 13 20.821 -1.885 3.980 1.00 0.00 C ATOM 157 CD2 LEU A 13 19.807 0.141 2.895 1.00 0.00 C ATOM 0 H LEU A 13 18.634 -1.067 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 13 21.114 -1.566 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.228 -1.892 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 13 19.180 -3.223 2.307 1.00 0.00 H new ATOM 0 HG LEU A 13 18.732 -1.396 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 13 21.042 -1.262 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 13 20.622 -2.905 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 13 21.675 -1.882 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.059 0.700 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 13 20.623 0.224 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 13 18.896 0.550 2.458 1.00 0.00 H new ATOM 169 N ILE A 14 21.326 -4.198 0.938 1.00 0.00 N ATOM 170 CA ILE A 14 21.678 -5.541 0.506 1.00 0.00 C ATOM 171 C ILE A 14 20.495 -6.405 0.935 1.00 0.00 C ATOM 172 O ILE A 14 20.410 -6.810 2.096 1.00 0.00 O ATOM 173 CB ILE A 14 23.042 -5.999 1.079 1.00 0.00 C ATOM 174 CG1 ILE A 14 24.240 -5.206 0.502 1.00 0.00 C ATOM 175 CG2 ILE A 14 23.292 -7.489 0.771 1.00 0.00 C ATOM 176 CD1 ILE A 14 24.348 -3.744 0.956 1.00 0.00 C ATOM 0 H ILE A 14 21.764 -3.918 1.816 1.00 0.00 H new ATOM 0 HA ILE A 14 21.833 -5.611 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 14 22.979 -5.819 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 14 25.160 -5.722 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 14 24.176 -5.226 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.256 -7.789 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 14 22.502 -8.091 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.295 -7.642 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 14 25.221 -3.283 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 14 23.450 -3.203 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 14 24.450 -3.706 2.041 1.00 0.00 H new ATOM 188 N THR A 15 19.541 -6.616 0.031 1.00 0.00 N ATOM 189 CA THR A 15 18.370 -7.432 0.303 1.00 0.00 C ATOM 190 C THR A 15 18.885 -8.842 0.616 1.00 0.00 C ATOM 191 O THR A 15 19.801 -9.328 -0.057 1.00 0.00 O ATOM 192 CB THR A 15 17.421 -7.373 -0.911 1.00 0.00 C ATOM 193 OG1 THR A 15 16.195 -7.998 -0.602 1.00 0.00 O ATOM 194 CG2 THR A 15 17.985 -8.014 -2.186 1.00 0.00 C ATOM 0 H THR A 15 19.562 -6.224 -0.910 1.00 0.00 H new ATOM 0 HA THR A 15 17.788 -7.079 1.154 1.00 0.00 H new ATOM 0 HB THR A 15 17.287 -6.311 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.600 -7.953 -1.379 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.254 -7.929 -2.990 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.903 -7.503 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.199 -9.067 -2.000 1.00 0.00 H new ATOM 202 N SER A 16 18.356 -9.500 1.647 1.00 0.00 N ATOM 203 CA SER A 16 18.792 -10.844 1.990 1.00 0.00 C ATOM 204 C SER A 16 17.652 -11.563 2.707 1.00 0.00 C ATOM 205 O SER A 16 16.973 -12.368 2.066 1.00 0.00 O ATOM 206 CB SER A 16 20.128 -10.788 2.755 1.00 0.00 C ATOM 207 OG SER A 16 20.855 -11.990 2.603 1.00 0.00 O ATOM 0 H SER A 16 17.628 -9.122 2.254 1.00 0.00 H new ATOM 0 HA SER A 16 19.010 -11.439 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.724 -9.951 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.937 -10.607 3.813 1.00 0.00 H new ATOM 0 HG SER A 16 21.699 -11.927 3.097 1.00 0.00 H new ATOM 213 N ASP A 17 17.402 -11.254 3.982 1.00 0.00 N ATOM 214 CA ASP A 17 16.342 -11.882 4.768 1.00 0.00 C ATOM 215 C ASP A 17 14.954 -11.424 4.312 1.00 0.00 C ATOM 216 O ASP A 17 14.483 -10.342 4.676 1.00 0.00 O ATOM 217 CB ASP A 17 16.563 -11.594 6.250 1.00 0.00 C ATOM 218 CG ASP A 17 15.412 -12.074 7.132 1.00 0.00 C ATOM 219 OD1 ASP A 17 14.685 -13.030 6.780 1.00 0.00 O ATOM 220 OD2 ASP A 17 15.285 -11.526 8.246 1.00 0.00 O ATOM 0 H ASP A 17 17.935 -10.555 4.500 1.00 0.00 H new ATOM 0 HA ASP A 17 16.385 -12.959 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 17 17.486 -12.075 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 17 16.697 -10.521 6.390 1.00 0.00 H new ATOM 225 N LYS A 18 14.319 -12.247 3.481 1.00 0.00 N ATOM 226 CA LYS A 18 12.995 -12.033 2.926 1.00 0.00 C ATOM 227 C LYS A 18 11.968 -12.409 3.998 1.00 0.00 C ATOM 228 O LYS A 18 11.509 -13.554 4.048 1.00 0.00 O ATOM 229 CB LYS A 18 12.887 -12.873 1.642 1.00 0.00 C ATOM 230 CG LYS A 18 11.805 -12.369 0.683 1.00 0.00 C ATOM 231 CD LYS A 18 11.784 -13.157 -0.636 1.00 0.00 C ATOM 232 CE LYS A 18 13.011 -12.851 -1.509 1.00 0.00 C ATOM 233 NZ LYS A 18 13.134 -13.798 -2.634 1.00 0.00 N ATOM 0 H LYS A 18 14.738 -13.121 3.164 1.00 0.00 H new ATOM 0 HA LYS A 18 12.806 -10.995 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.849 -12.868 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.674 -13.908 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.830 -12.446 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.974 -11.313 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.750 -14.225 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.876 -12.915 -1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.937 -11.835 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.912 -12.894 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.973 -13.558 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.230 -14.765 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.285 -13.738 -3.232 1.00 0.00 H new ATOM 247 N GLY A 19 11.631 -11.484 4.892 1.00 0.00 N ATOM 248 CA GLY A 19 10.673 -11.705 5.966 1.00 0.00 C ATOM 249 C GLY A 19 9.282 -11.266 5.525 1.00 0.00 C ATOM 250 O GLY A 19 8.510 -12.058 4.980 1.00 0.00 O ATOM 0 H GLY A 19 12.024 -10.543 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.660 -12.760 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.974 -11.148 6.853 1.00 0.00 H new ATOM 254 N PHE A 20 8.958 -10.004 5.792 1.00 0.00 N ATOM 255 CA PHE A 20 7.704 -9.322 5.470 1.00 0.00 C ATOM 256 C PHE A 20 8.033 -8.183 4.501 1.00 0.00 C ATOM 257 O PHE A 20 9.207 -7.943 4.197 1.00 0.00 O ATOM 258 CB PHE A 20 7.067 -8.747 6.756 1.00 0.00 C ATOM 259 CG PHE A 20 6.047 -9.599 7.492 1.00 0.00 C ATOM 260 CD1 PHE A 20 6.115 -11.005 7.499 1.00 0.00 C ATOM 261 CD2 PHE A 20 5.017 -8.956 8.209 1.00 0.00 C ATOM 262 CE1 PHE A 20 5.158 -11.753 8.204 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.074 -9.705 8.934 1.00 0.00 C ATOM 264 CZ PHE A 20 4.141 -11.108 8.928 1.00 0.00 C ATOM 0 H PHE A 20 9.610 -9.385 6.274 1.00 0.00 H new ATOM 0 HA PHE A 20 6.996 -10.019 5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.873 -8.516 7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.588 -7.803 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.904 -11.509 6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.952 -7.878 8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.204 -12.832 8.190 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.299 -9.203 9.495 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.414 -11.688 9.477 1.00 0.00 H new ATOM 274 N VAL A 21 7.009 -7.505 3.984 1.00 0.00 N ATOM 275 CA VAL A 21 7.181 -6.383 3.079 1.00 0.00 C ATOM 276 C VAL A 21 6.071 -5.370 3.385 1.00 0.00 C ATOM 277 O VAL A 21 4.995 -5.734 3.872 1.00 0.00 O ATOM 278 CB VAL A 21 7.265 -6.899 1.628 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.973 -7.569 1.142 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.709 -5.803 0.655 1.00 0.00 C ATOM 0 H VAL A 21 6.034 -7.725 4.186 1.00 0.00 H new ATOM 0 HA VAL A 21 8.121 -5.850 3.220 1.00 0.00 H new ATOM 0 HB VAL A 21 8.031 -7.674 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.103 -7.908 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.744 -8.423 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.153 -6.853 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.755 -6.210 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.994 -4.980 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.694 -5.437 0.944 1.00 0.00 H new ATOM 290 N THR A 22 6.338 -4.092 3.129 1.00 0.00 N ATOM 291 CA THR A 22 5.409 -2.996 3.350 1.00 0.00 C ATOM 292 C THR A 22 4.916 -2.528 1.971 1.00 0.00 C ATOM 293 O THR A 22 5.543 -2.780 0.936 1.00 0.00 O ATOM 294 CB THR A 22 6.094 -1.943 4.248 1.00 0.00 C ATOM 295 OG1 THR A 22 6.608 -2.579 5.416 1.00 0.00 O ATOM 296 CG2 THR A 22 5.191 -0.814 4.747 1.00 0.00 C ATOM 0 H THR A 22 7.234 -3.785 2.751 1.00 0.00 H new ATOM 0 HA THR A 22 4.510 -3.270 3.902 1.00 0.00 H new ATOM 0 HB THR A 22 6.858 -1.501 3.608 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.905 -3.124 5.828 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.771 -0.131 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.783 -0.271 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.375 -1.234 5.335 1.00 0.00 H new ATOM 304 N MET A 23 3.743 -1.905 1.939 1.00 0.00 N ATOM 305 CA MET A 23 3.071 -1.387 0.756 1.00 0.00 C ATOM 306 C MET A 23 2.593 0.029 1.035 1.00 0.00 C ATOM 307 O MET A 23 2.441 0.413 2.205 1.00 0.00 O ATOM 308 CB MET A 23 1.837 -2.255 0.480 1.00 0.00 C ATOM 309 CG MET A 23 2.159 -3.592 -0.172 1.00 0.00 C ATOM 310 SD MET A 23 2.349 -3.485 -1.973 1.00 0.00 S ATOM 311 CE MET A 23 1.405 -4.949 -2.464 1.00 0.00 C ATOM 0 H MET A 23 3.205 -1.739 2.790 1.00 0.00 H new ATOM 0 HA MET A 23 3.755 -1.397 -0.093 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.314 -2.436 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.153 -1.703 -0.164 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.078 -3.987 0.260 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.366 -4.302 0.061 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.889 -4.751 -3.404 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.083 -5.793 -2.593 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.673 -5.186 -1.692 1.00 0.00 H new ATOM 321 N THR A 24 2.338 0.784 -0.029 1.00 0.00 N ATOM 322 CA THR A 24 1.842 2.147 0.021 1.00 0.00 C ATOM 323 C THR A 24 0.734 2.287 -1.031 1.00 0.00 C ATOM 324 O THR A 24 0.729 1.564 -2.035 1.00 0.00 O ATOM 325 CB THR A 24 2.964 3.180 -0.236 1.00 0.00 C ATOM 326 OG1 THR A 24 4.280 2.725 0.019 1.00 0.00 O ATOM 327 CG2 THR A 24 2.754 4.404 0.649 1.00 0.00 C ATOM 0 H THR A 24 2.477 0.448 -0.982 1.00 0.00 H new ATOM 0 HA THR A 24 1.453 2.350 1.019 1.00 0.00 H new ATOM 0 HB THR A 24 2.888 3.395 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.918 3.444 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.548 5.128 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.789 4.857 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.775 4.103 1.697 1.00 0.00 H new ATOM 335 N LEU A 25 -0.237 3.173 -0.798 1.00 0.00 N ATOM 336 CA LEU A 25 -1.336 3.447 -1.721 1.00 0.00 C ATOM 337 C LEU A 25 -1.515 4.957 -1.686 1.00 0.00 C ATOM 338 O LEU A 25 -1.886 5.488 -0.638 1.00 0.00 O ATOM 339 CB LEU A 25 -2.647 2.700 -1.392 1.00 0.00 C ATOM 340 CG LEU A 25 -3.508 2.535 -2.659 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.017 1.388 -3.542 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.980 2.258 -2.329 1.00 0.00 C ATOM 0 H LEU A 25 -0.280 3.730 0.055 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.090 3.078 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.418 1.721 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.206 3.250 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.416 3.483 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.654 1.309 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.990 1.582 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.057 0.454 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.546 2.149 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.056 1.339 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.386 3.088 -1.751 1.00 0.00 H new ATOM 354 N GLU A 26 -1.157 5.643 -2.767 1.00 0.00 N ATOM 355 CA GLU A 26 -1.244 7.094 -2.888 1.00 0.00 C ATOM 356 C GLU A 26 -2.643 7.506 -3.335 1.00 0.00 C ATOM 357 O GLU A 26 -3.210 6.885 -4.239 1.00 0.00 O ATOM 358 CB GLU A 26 -0.223 7.572 -3.924 1.00 0.00 C ATOM 359 CG GLU A 26 1.228 7.426 -3.448 1.00 0.00 C ATOM 360 CD GLU A 26 2.186 7.414 -4.637 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.638 8.503 -5.069 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.492 6.305 -5.135 1.00 0.00 O ATOM 0 H GLU A 26 -0.789 5.193 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.035 7.545 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.356 7.005 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.418 8.618 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.481 8.248 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.338 6.504 -2.877 1.00 0.00 H new ATOM 369 N SER A 27 -3.169 8.555 -2.704 1.00 0.00 N ATOM 370 CA SER A 27 -4.476 9.133 -2.960 1.00 0.00 C ATOM 371 C SER A 27 -4.389 10.298 -3.951 1.00 0.00 C ATOM 372 O SER A 27 -3.311 10.765 -4.348 1.00 0.00 O ATOM 373 CB SER A 27 -5.063 9.660 -1.639 1.00 0.00 C ATOM 374 OG SER A 27 -5.010 8.686 -0.619 1.00 0.00 O ATOM 0 H SER A 27 -2.665 9.045 -1.965 1.00 0.00 H new ATOM 0 HA SER A 27 -5.110 8.356 -3.388 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.513 10.547 -1.324 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.097 9.966 -1.797 1.00 0.00 H new ATOM 0 HG SER A 27 -5.528 7.900 -0.890 1.00 0.00 H new ATOM 380 N LEU A 28 -5.567 10.769 -4.347 1.00 0.00 N ATOM 381 CA LEU A 28 -5.799 11.872 -5.266 1.00 0.00 C ATOM 382 C LEU A 28 -5.838 13.193 -4.504 1.00 0.00 C ATOM 383 O LEU A 28 -5.438 14.224 -5.045 1.00 0.00 O ATOM 384 CB LEU A 28 -7.159 11.636 -5.940 1.00 0.00 C ATOM 385 CG LEU A 28 -7.202 10.360 -6.800 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.656 9.965 -7.037 1.00 0.00 C ATOM 387 CD2 LEU A 28 -6.466 10.578 -8.121 1.00 0.00 C ATOM 0 H LEU A 28 -6.440 10.362 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.998 11.921 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.931 11.574 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.400 12.495 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.697 9.549 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.693 9.062 -7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.143 9.778 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.173 10.773 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.507 9.665 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.939 11.391 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.426 10.834 -7.920 1.00 0.00 H new ATOM 399 N GLU A 29 -6.377 13.162 -3.288 1.00 0.00 N ATOM 400 CA GLU A 29 -6.535 14.238 -2.331 1.00 0.00 C ATOM 401 C GLU A 29 -6.726 13.547 -0.966 1.00 0.00 C ATOM 402 O GLU A 29 -6.544 12.334 -0.854 1.00 0.00 O ATOM 403 CB GLU A 29 -7.727 15.134 -2.715 1.00 0.00 C ATOM 404 CG GLU A 29 -7.481 16.573 -2.229 1.00 0.00 C ATOM 405 CD GLU A 29 -8.724 17.440 -2.401 1.00 0.00 C ATOM 406 OE1 GLU A 29 -9.234 17.568 -3.541 1.00 0.00 O ATOM 407 OE2 GLU A 29 -9.262 17.955 -1.392 1.00 0.00 O ATOM 0 H GLU A 29 -6.751 12.289 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.672 14.904 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.866 15.125 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.644 14.744 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.188 16.559 -1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.652 17.010 -2.785 1.00 0.00 H new ATOM 414 N GLU A 30 -7.052 14.297 0.083 1.00 0.00 N ATOM 415 CA GLU A 30 -7.275 13.746 1.412 1.00 0.00 C ATOM 416 C GLU A 30 -8.568 12.930 1.434 1.00 0.00 C ATOM 417 O GLU A 30 -9.459 13.097 0.592 1.00 0.00 O ATOM 418 CB GLU A 30 -7.289 14.883 2.438 1.00 0.00 C ATOM 419 CG GLU A 30 -5.861 15.382 2.667 1.00 0.00 C ATOM 420 CD GLU A 30 -5.809 16.662 3.492 1.00 0.00 C ATOM 421 OE1 GLU A 30 -6.445 16.724 4.567 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.036 17.575 3.121 1.00 0.00 O ATOM 0 H GLU A 30 -7.169 15.309 0.032 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.464 13.067 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.918 15.699 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.719 14.534 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.286 14.606 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.383 15.556 1.703 1.00 0.00 H new ATOM 429 N ILE A 31 -8.681 12.084 2.456 1.00 0.00 N ATOM 430 CA ILE A 31 -9.806 11.179 2.688 1.00 0.00 C ATOM 431 C ILE A 31 -10.392 11.380 4.091 1.00 0.00 C ATOM 432 O ILE A 31 -9.878 12.179 4.874 1.00 0.00 O ATOM 433 CB ILE A 31 -9.329 9.732 2.433 1.00 0.00 C ATOM 434 CG1 ILE A 31 -8.152 9.396 3.375 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.942 9.548 0.951 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.689 7.944 3.310 1.00 0.00 C ATOM 0 H ILE A 31 -7.962 12.007 3.175 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.620 11.397 1.997 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.142 9.039 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.310 10.044 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.445 9.626 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.608 8.524 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.807 9.753 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.137 10.237 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.860 7.795 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.514 7.286 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.362 7.712 2.297 1.00 0.00 H new ATOM 448 N GLN A 32 -11.469 10.660 4.415 1.00 0.00 N ATOM 449 CA GLN A 32 -12.123 10.772 5.713 1.00 0.00 C ATOM 450 C GLN A 32 -11.312 10.103 6.827 1.00 0.00 C ATOM 451 O GLN A 32 -10.965 10.757 7.806 1.00 0.00 O ATOM 452 CB GLN A 32 -13.535 10.168 5.630 1.00 0.00 C ATOM 453 CG GLN A 32 -14.443 10.625 6.785 1.00 0.00 C ATOM 454 CD GLN A 32 -15.531 11.572 6.291 1.00 0.00 C ATOM 455 OE1 GLN A 32 -16.536 11.145 5.726 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.367 12.872 6.444 1.00 0.00 N ATOM 0 H GLN A 32 -11.907 9.987 3.786 1.00 0.00 H new ATOM 0 HA GLN A 32 -12.193 11.830 5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.991 10.449 4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.462 9.080 5.639 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.901 9.756 7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.843 11.122 7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.534 13.229 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.073 13.520 6.094 1.00 0.00 H new ATOM 465 N ASP A 33 -11.078 8.799 6.706 1.00 0.00 N ATOM 466 CA ASP A 33 -10.354 7.925 7.628 1.00 0.00 C ATOM 467 C ASP A 33 -10.025 6.648 6.840 1.00 0.00 C ATOM 468 O ASP A 33 -10.440 6.531 5.677 1.00 0.00 O ATOM 469 CB ASP A 33 -11.252 7.619 8.848 1.00 0.00 C ATOM 470 CG ASP A 33 -10.684 6.552 9.787 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.487 6.647 10.138 1.00 0.00 O ATOM 472 OD2 ASP A 33 -11.414 5.578 10.097 1.00 0.00 O ATOM 0 H ASP A 33 -11.417 8.283 5.894 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.439 8.383 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.407 8.539 9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.230 7.293 8.494 1.00 0.00 H new ATOM 477 N VAL A 34 -9.319 5.685 7.447 1.00 0.00 N ATOM 478 CA VAL A 34 -8.941 4.412 6.832 1.00 0.00 C ATOM 479 C VAL A 34 -10.128 3.645 6.250 1.00 0.00 C ATOM 480 O VAL A 34 -9.924 2.735 5.449 1.00 0.00 O ATOM 481 CB VAL A 34 -8.079 3.551 7.777 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.842 4.305 8.277 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.815 3.027 9.014 1.00 0.00 C ATOM 0 H VAL A 34 -8.987 5.776 8.407 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.316 4.662 5.975 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.800 2.702 7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.265 3.659 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.225 4.596 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.154 5.196 8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.131 2.433 9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.183 3.868 9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.655 2.407 8.702 1.00 0.00 H new ATOM 493 N SER A 35 -11.359 3.984 6.636 1.00 0.00 N ATOM 494 CA SER A 35 -12.557 3.358 6.128 1.00 0.00 C ATOM 495 C SER A 35 -12.587 3.498 4.608 1.00 0.00 C ATOM 496 O SER A 35 -12.948 2.547 3.925 1.00 0.00 O ATOM 497 CB SER A 35 -13.765 4.014 6.798 1.00 0.00 C ATOM 498 OG SER A 35 -13.683 5.427 6.759 1.00 0.00 O ATOM 0 H SER A 35 -11.543 4.715 7.323 1.00 0.00 H new ATOM 0 HA SER A 35 -12.579 2.293 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.678 3.689 6.300 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.831 3.682 7.834 1.00 0.00 H new ATOM 0 HG SER A 35 -14.472 5.813 7.194 1.00 0.00 H new ATOM 504 N CYS A 36 -12.202 4.660 4.068 1.00 0.00 N ATOM 505 CA CYS A 36 -12.182 4.915 2.630 1.00 0.00 C ATOM 506 C CYS A 36 -11.345 3.836 1.935 1.00 0.00 C ATOM 507 O CYS A 36 -11.863 3.098 1.088 1.00 0.00 O ATOM 508 CB CYS A 36 -11.632 6.326 2.354 1.00 0.00 C ATOM 509 SG CYS A 36 -12.706 7.588 3.102 1.00 0.00 S ATOM 0 H CYS A 36 -11.893 5.456 4.626 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.195 4.872 2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.623 6.414 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.562 6.491 1.279 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.648 8.679 2.398 1.00 0.00 H new ATOM 515 N ALA A 37 -10.079 3.726 2.349 1.00 0.00 N ATOM 516 CA ALA A 37 -9.133 2.764 1.817 1.00 0.00 C ATOM 517 C ALA A 37 -9.673 1.338 1.983 1.00 0.00 C ATOM 518 O ALA A 37 -9.741 0.581 1.017 1.00 0.00 O ATOM 519 CB ALA A 37 -7.796 2.942 2.542 1.00 0.00 C ATOM 0 H ALA A 37 -9.684 4.319 3.078 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.985 2.933 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.073 2.225 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.426 3.954 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.936 2.773 3.610 1.00 0.00 H new ATOM 525 N TRP A 38 -10.105 0.955 3.191 1.00 0.00 N ATOM 526 CA TRP A 38 -10.633 -0.381 3.463 1.00 0.00 C ATOM 527 C TRP A 38 -11.822 -0.731 2.564 1.00 0.00 C ATOM 528 O TRP A 38 -11.865 -1.852 2.048 1.00 0.00 O ATOM 529 CB TRP A 38 -10.970 -0.544 4.949 1.00 0.00 C ATOM 530 CG TRP A 38 -9.798 -0.826 5.844 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.386 -0.064 6.882 1.00 0.00 C ATOM 532 CD2 TRP A 38 -8.909 -1.985 5.835 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.317 -0.668 7.518 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.030 -1.892 6.955 1.00 0.00 C ATOM 535 CE3 TRP A 38 -8.780 -3.127 5.011 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.119 -2.909 7.278 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -7.880 -4.159 5.337 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.065 -4.060 6.476 1.00 0.00 C ATOM 0 H TRP A 38 -10.097 1.567 4.007 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.848 -1.097 3.220 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.461 0.366 5.296 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.691 -1.355 5.055 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.827 0.878 7.172 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.807 -0.260 8.302 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.381 -3.209 4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.467 -2.808 8.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.816 -5.033 4.706 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.397 -4.868 6.735 1.00 0.00 H new ATOM 549 N LYS A 39 -12.780 0.184 2.356 1.00 0.00 N ATOM 550 CA LYS A 39 -13.937 -0.059 1.494 1.00 0.00 C ATOM 551 C LYS A 39 -13.465 -0.284 0.058 1.00 0.00 C ATOM 552 O LYS A 39 -14.014 -1.147 -0.631 1.00 0.00 O ATOM 553 CB LYS A 39 -14.929 1.127 1.533 1.00 0.00 C ATOM 554 CG LYS A 39 -16.070 1.005 2.556 1.00 0.00 C ATOM 555 CD LYS A 39 -15.719 1.544 3.943 1.00 0.00 C ATOM 556 CE LYS A 39 -16.885 1.473 4.929 1.00 0.00 C ATOM 557 NZ LYS A 39 -17.917 2.502 4.693 1.00 0.00 N ATOM 0 H LYS A 39 -12.771 1.111 2.782 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.454 -0.946 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.370 2.038 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.365 1.245 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.942 1.540 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.354 -0.044 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.878 0.978 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.392 2.580 3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.345 0.487 4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.500 1.581 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.678 2.398 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.492 3.447 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.310 2.387 3.737 1.00 0.00 H new ATOM 571 N GLU A 40 -12.499 0.500 -0.422 1.00 0.00 N ATOM 572 CA GLU A 40 -11.967 0.383 -1.777 1.00 0.00 C ATOM 573 C GLU A 40 -11.281 -0.968 -1.943 1.00 0.00 C ATOM 574 O GLU A 40 -11.642 -1.732 -2.835 1.00 0.00 O ATOM 575 CB GLU A 40 -11.002 1.537 -2.053 1.00 0.00 C ATOM 576 CG GLU A 40 -10.578 1.596 -3.532 1.00 0.00 C ATOM 577 CD GLU A 40 -9.319 2.436 -3.762 1.00 0.00 C ATOM 578 OE1 GLU A 40 -8.934 3.169 -2.832 1.00 0.00 O ATOM 579 OE2 GLU A 40 -8.792 2.348 -4.896 1.00 0.00 O ATOM 0 H GLU A 40 -12.061 1.241 0.125 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.780 0.442 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.474 2.479 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.117 1.427 -1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.403 0.583 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.396 2.009 -4.122 1.00 0.00 H new ATOM 586 N LEU A 41 -10.335 -1.287 -1.056 1.00 0.00 N ATOM 587 CA LEU A 41 -9.591 -2.541 -1.056 1.00 0.00 C ATOM 588 C LEU A 41 -10.590 -3.697 -1.070 1.00 0.00 C ATOM 589 O LEU A 41 -10.436 -4.627 -1.851 1.00 0.00 O ATOM 590 CB LEU A 41 -8.719 -2.629 0.205 1.00 0.00 C ATOM 591 CG LEU A 41 -7.487 -1.707 0.233 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.004 -1.607 1.682 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.347 -2.240 -0.637 1.00 0.00 C ATOM 0 H LEU A 41 -10.061 -0.661 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.947 -2.591 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.341 -2.400 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.381 -3.659 0.319 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.774 -0.733 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.130 -0.958 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.798 -1.192 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.739 -2.600 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.500 -1.556 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.043 -3.223 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.685 -2.322 -1.670 1.00 0.00 H new ATOM 605 N ASN A 42 -11.655 -3.633 -0.261 1.00 0.00 N ATOM 606 CA ASN A 42 -12.670 -4.687 -0.208 1.00 0.00 C ATOM 607 C ASN A 42 -13.402 -4.881 -1.539 1.00 0.00 C ATOM 608 O ASN A 42 -13.986 -5.940 -1.750 1.00 0.00 O ATOM 609 CB ASN A 42 -13.667 -4.451 0.940 1.00 0.00 C ATOM 610 CG ASN A 42 -13.217 -5.221 2.167 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.546 -6.394 2.307 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.408 -4.630 3.026 1.00 0.00 N ATOM 0 H ASN A 42 -11.835 -2.853 0.371 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.132 -5.614 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.730 -3.387 1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.665 -4.773 0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.044 -5.150 3.825 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.147 -3.653 2.891 1.00 0.00 H new ATOM 619 N ARG A 43 -13.436 -3.876 -2.420 1.00 0.00 N ATOM 620 CA ARG A 43 -14.051 -3.901 -3.741 1.00 0.00 C ATOM 621 C ARG A 43 -13.031 -4.234 -4.832 1.00 0.00 C ATOM 622 O ARG A 43 -13.440 -4.420 -5.977 1.00 0.00 O ATOM 623 CB ARG A 43 -14.659 -2.515 -4.056 1.00 0.00 C ATOM 624 CG ARG A 43 -16.166 -2.494 -3.806 1.00 0.00 C ATOM 625 CD ARG A 43 -16.867 -1.507 -4.746 1.00 0.00 C ATOM 626 NE ARG A 43 -18.313 -1.759 -4.848 1.00 0.00 N ATOM 627 CZ ARG A 43 -19.099 -1.225 -5.791 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.612 -0.352 -6.670 1.00 0.00 N ATOM 629 NH2 ARG A 43 -20.374 -1.567 -5.878 1.00 0.00 N ATOM 0 H ARG A 43 -13.009 -2.973 -2.213 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.821 -4.672 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.176 -1.756 -3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.458 -2.256 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.576 -3.493 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.362 -2.217 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.703 -0.490 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.419 -1.573 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.742 -2.377 -4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.629 -0.082 -6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.222 0.047 -7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.766 -2.243 -5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.965 -1.154 -6.600 1.00 0.00 H new ATOM 643 N LYS A 44 -11.740 -4.321 -4.517 1.00 0.00 N ATOM 644 CA LYS A 44 -10.673 -4.611 -5.474 1.00 0.00 C ATOM 645 C LYS A 44 -9.892 -5.872 -5.132 1.00 0.00 C ATOM 646 O LYS A 44 -9.143 -6.366 -5.973 1.00 0.00 O ATOM 647 CB LYS A 44 -9.732 -3.396 -5.504 1.00 0.00 C ATOM 648 CG LYS A 44 -10.341 -2.165 -6.190 1.00 0.00 C ATOM 649 CD LYS A 44 -10.386 -2.367 -7.708 1.00 0.00 C ATOM 650 CE LYS A 44 -10.883 -1.118 -8.436 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.348 -0.973 -8.395 1.00 0.00 N ATOM 0 H LYS A 44 -11.398 -4.188 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.122 -4.793 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.458 -3.134 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.812 -3.672 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.348 -1.990 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.752 -1.279 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.391 -2.626 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.039 -3.208 -7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.423 -0.237 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.556 -1.156 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.626 -0.110 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.791 -1.799 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.663 -0.908 -7.406 1.00 0.00 H new ATOM 665 N LEU A 45 -10.076 -6.426 -3.939 1.00 0.00 N ATOM 666 CA LEU A 45 -9.400 -7.611 -3.447 1.00 0.00 C ATOM 667 C LEU A 45 -10.441 -8.524 -2.815 1.00 0.00 C ATOM 668 O LEU A 45 -11.547 -8.090 -2.469 1.00 0.00 O ATOM 669 CB LEU A 45 -8.339 -7.195 -2.413 1.00 0.00 C ATOM 670 CG LEU A 45 -7.249 -6.245 -2.959 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.492 -5.645 -1.775 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.293 -6.991 -3.898 1.00 0.00 C ATOM 0 H LEU A 45 -10.732 -6.040 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.900 -8.140 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.838 -6.710 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.859 -8.092 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.714 -5.448 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.718 -4.971 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.186 -5.091 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.032 -6.445 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.535 -6.301 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.810 -7.803 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.854 -7.400 -4.738 1.00 0.00 H new ATOM 684 N SER A 46 -10.100 -9.799 -2.684 1.00 0.00 N ATOM 685 CA SER A 46 -10.968 -10.807 -2.098 1.00 0.00 C ATOM 686 C SER A 46 -10.883 -10.672 -0.583 1.00 0.00 C ATOM 687 O SER A 46 -9.894 -10.155 -0.069 1.00 0.00 O ATOM 688 CB SER A 46 -10.514 -12.201 -2.544 1.00 0.00 C ATOM 689 OG SER A 46 -10.722 -12.363 -3.931 1.00 0.00 O ATOM 0 H SER A 46 -9.198 -10.166 -2.987 1.00 0.00 H new ATOM 0 HA SER A 46 -11.999 -10.668 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.459 -12.340 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.066 -12.964 -1.995 1.00 0.00 H new ATOM 0 HG SER A 46 -10.427 -13.257 -4.204 1.00 0.00 H new ATOM 695 N SER A 47 -11.886 -11.154 0.144 1.00 0.00 N ATOM 696 CA SER A 47 -11.914 -11.097 1.604 1.00 0.00 C ATOM 697 C SER A 47 -10.680 -11.805 2.193 1.00 0.00 C ATOM 698 O SER A 47 -10.012 -11.313 3.100 1.00 0.00 O ATOM 699 CB SER A 47 -13.214 -11.773 2.043 1.00 0.00 C ATOM 700 OG SER A 47 -13.287 -13.066 1.467 1.00 0.00 O ATOM 0 H SER A 47 -12.708 -11.598 -0.265 1.00 0.00 H new ATOM 0 HA SER A 47 -11.882 -10.069 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.251 -11.844 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.071 -11.175 1.733 1.00 0.00 H new ATOM 0 HG SER A 47 -14.118 -13.503 1.748 1.00 0.00 H new ATOM 706 N ASN A 48 -10.350 -12.946 1.592 1.00 0.00 N ATOM 707 CA ASN A 48 -9.249 -13.827 1.936 1.00 0.00 C ATOM 708 C ASN A 48 -7.910 -13.094 1.840 1.00 0.00 C ATOM 709 O ASN A 48 -7.109 -13.148 2.780 1.00 0.00 O ATOM 710 CB ASN A 48 -9.298 -15.042 0.996 1.00 0.00 C ATOM 711 CG ASN A 48 -10.359 -16.066 1.392 1.00 0.00 C ATOM 712 OD1 ASN A 48 -10.030 -17.199 1.736 1.00 0.00 O ATOM 713 ND2 ASN A 48 -11.639 -15.723 1.362 1.00 0.00 N ATOM 0 H ASN A 48 -10.885 -13.299 0.798 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.345 -14.162 2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.494 -14.700 -0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.321 -15.526 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.355 -16.400 1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.908 -14.782 1.076 1.00 0.00 H new ATOM 720 N ALA A 49 -7.689 -12.397 0.720 1.00 0.00 N ATOM 721 CA ALA A 49 -6.474 -11.644 0.440 1.00 0.00 C ATOM 722 C ALA A 49 -6.418 -10.327 1.209 1.00 0.00 C ATOM 723 O ALA A 49 -5.369 -9.968 1.735 1.00 0.00 O ATOM 724 CB ALA A 49 -6.403 -11.320 -1.056 1.00 0.00 C ATOM 0 H ALA A 49 -8.373 -12.343 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.636 -12.266 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.493 -10.757 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.394 -12.247 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.271 -10.725 -1.341 1.00 0.00 H new ATOM 730 N VAL A 50 -7.531 -9.589 1.276 1.00 0.00 N ATOM 731 CA VAL A 50 -7.562 -8.311 1.964 1.00 0.00 C ATOM 732 C VAL A 50 -7.209 -8.505 3.451 1.00 0.00 C ATOM 733 O VAL A 50 -6.556 -7.643 4.032 1.00 0.00 O ATOM 734 CB VAL A 50 -8.872 -7.545 1.669 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.024 -7.881 2.614 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.652 -6.031 1.694 1.00 0.00 C ATOM 0 H VAL A 50 -8.420 -9.863 0.858 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.788 -7.649 1.575 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.158 -7.876 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.904 -7.300 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.254 -8.944 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.737 -7.639 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.593 -5.523 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.291 -5.732 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.915 -5.758 0.939 1.00 0.00 H new ATOM 746 N SER A 51 -7.563 -9.650 4.054 1.00 0.00 N ATOM 747 CA SER A 51 -7.257 -9.965 5.445 1.00 0.00 C ATOM 748 C SER A 51 -5.743 -10.039 5.712 1.00 0.00 C ATOM 749 O SER A 51 -5.325 -10.004 6.873 1.00 0.00 O ATOM 750 CB SER A 51 -7.854 -11.327 5.793 1.00 0.00 C ATOM 751 OG SER A 51 -9.231 -11.297 6.115 1.00 0.00 O ATOM 0 H SER A 51 -8.077 -10.390 3.576 1.00 0.00 H new ATOM 0 HA SER A 51 -7.680 -9.166 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.705 -12.001 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.305 -11.746 6.637 1.00 0.00 H new ATOM 0 HG SER A 51 -9.760 -11.277 5.290 1.00 0.00 H new ATOM 757 N GLN A 52 -4.902 -10.195 4.683 1.00 0.00 N ATOM 758 CA GLN A 52 -3.458 -10.259 4.883 1.00 0.00 C ATOM 759 C GLN A 52 -2.895 -8.877 5.234 1.00 0.00 C ATOM 760 O GLN A 52 -1.778 -8.788 5.744 1.00 0.00 O ATOM 761 CB GLN A 52 -2.756 -10.846 3.646 1.00 0.00 C ATOM 762 CG GLN A 52 -3.314 -12.204 3.179 1.00 0.00 C ATOM 763 CD GLN A 52 -3.548 -13.188 4.325 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.681 -13.409 5.165 1.00 0.00 O ATOM 765 NE2 GLN A 52 -4.735 -13.764 4.417 1.00 0.00 N ATOM 0 H GLN A 52 -5.199 -10.278 3.711 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.262 -10.925 5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.837 -10.133 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.695 -10.960 3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.254 -12.041 2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.621 -12.648 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.450 -13.575 3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.936 -14.398 5.191 1.00 0.00 H new ATOM 774 N ILE A 53 -3.644 -7.807 4.959 1.00 0.00 N ATOM 775 CA ILE A 53 -3.256 -6.436 5.236 1.00 0.00 C ATOM 776 C ILE A 53 -3.285 -6.225 6.750 1.00 0.00 C ATOM 777 O ILE A 53 -4.310 -6.446 7.409 1.00 0.00 O ATOM 778 CB ILE A 53 -4.197 -5.466 4.476 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.039 -5.675 2.948 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.924 -4.003 4.860 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.991 -4.839 2.086 1.00 0.00 C ATOM 0 H ILE A 53 -4.564 -7.881 4.524 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.244 -6.231 4.886 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.225 -5.688 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.013 -5.438 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.196 -6.729 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.601 -3.350 4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.084 -3.872 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.893 -3.748 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.808 -5.051 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.022 -5.091 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.820 -3.780 2.278 1.00 0.00 H new ATOM 793 N THR A 54 -2.163 -5.774 7.304 1.00 0.00 N ATOM 794 CA THR A 54 -2.017 -5.491 8.721 1.00 0.00 C ATOM 795 C THR A 54 -1.332 -4.133 8.868 1.00 0.00 C ATOM 796 O THR A 54 -0.781 -3.583 7.911 1.00 0.00 O ATOM 797 CB THR A 54 -1.288 -6.648 9.436 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.379 -6.480 10.840 1.00 0.00 O ATOM 799 CG2 THR A 54 0.185 -6.818 9.068 1.00 0.00 C ATOM 0 H THR A 54 -1.315 -5.593 6.766 1.00 0.00 H new ATOM 0 HA THR A 54 -2.987 -5.425 9.213 1.00 0.00 H new ATOM 0 HB THR A 54 -1.797 -7.549 9.095 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.916 -7.218 11.288 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.604 -7.657 9.624 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.273 -7.011 7.999 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.730 -5.908 9.318 1.00 0.00 H new ATOM 807 N ARG A 55 -1.387 -3.578 10.082 1.00 0.00 N ATOM 808 CA ARG A 55 -0.780 -2.298 10.442 1.00 0.00 C ATOM 809 C ARG A 55 -1.126 -1.144 9.494 1.00 0.00 C ATOM 810 O ARG A 55 -0.272 -0.293 9.236 1.00 0.00 O ATOM 811 CB ARG A 55 0.740 -2.503 10.607 1.00 0.00 C ATOM 812 CG ARG A 55 1.044 -3.483 11.744 1.00 0.00 C ATOM 813 CD ARG A 55 2.542 -3.534 12.055 1.00 0.00 C ATOM 814 NE ARG A 55 2.789 -3.248 13.472 1.00 0.00 N ATOM 815 CZ ARG A 55 2.861 -2.041 14.036 1.00 0.00 C ATOM 816 NH1 ARG A 55 2.826 -0.931 13.301 1.00 0.00 N ATOM 817 NH2 ARG A 55 2.953 -1.956 15.356 1.00 0.00 N ATOM 0 H ARG A 55 -1.870 -4.022 10.863 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.211 -1.978 11.391 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.163 -2.880 9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.219 -1.545 10.810 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.496 -3.186 12.638 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.694 -4.479 11.471 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.937 -4.518 11.804 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.072 -2.810 11.435 1.00 0.00 H new ATOM 0 HE ARG A 55 2.919 -4.051 14.087 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.743 -0.994 12.286 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.882 -0.018 13.753 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.968 -2.804 15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.009 -1.042 15.806 1.00 0.00 H new ATOM 831 N MET A 56 -2.339 -1.111 8.927 1.00 0.00 N ATOM 832 CA MET A 56 -2.698 -0.010 8.044 1.00 0.00 C ATOM 833 C MET A 56 -2.794 1.249 8.892 1.00 0.00 C ATOM 834 O MET A 56 -3.613 1.289 9.818 1.00 0.00 O ATOM 835 CB MET A 56 -3.999 -0.222 7.251 1.00 0.00 C ATOM 836 CG MET A 56 -4.182 0.945 6.261 1.00 0.00 C ATOM 837 SD MET A 56 -5.853 1.202 5.625 1.00 0.00 S ATOM 838 CE MET A 56 -6.050 -0.277 4.618 1.00 0.00 C ATOM 0 H MET A 56 -3.065 -1.815 9.062 1.00 0.00 H new ATOM 0 HA MET A 56 -1.921 0.068 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.961 -1.169 6.713 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.849 -0.275 7.931 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.858 1.863 6.751 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.515 0.783 5.414 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.080 -0.344 4.268 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.378 -0.226 3.761 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.811 -1.158 5.214 1.00 0.00 H new ATOM 848 N CYS A 57 -1.964 2.237 8.567 1.00 0.00 N ATOM 849 CA CYS A 57 -1.887 3.532 9.212 1.00 0.00 C ATOM 850 C CYS A 57 -2.005 4.601 8.118 1.00 0.00 C ATOM 851 O CYS A 57 -1.874 4.305 6.922 1.00 0.00 O ATOM 852 CB CYS A 57 -0.582 3.617 10.017 1.00 0.00 C ATOM 853 SG CYS A 57 -0.647 4.980 11.216 1.00 0.00 S ATOM 0 H CYS A 57 -1.293 2.144 7.804 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.696 3.691 9.925 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.410 2.676 10.539 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.259 3.763 9.339 1.00 0.00 H new ATOM 0 HG CYS A 57 0.468 5.025 11.882 1.00 0.00 H new ATOM 859 N LEU A 58 -2.363 5.824 8.504 1.00 0.00 N ATOM 860 CA LEU A 58 -2.510 6.966 7.603 1.00 0.00 C ATOM 861 C LEU A 58 -1.131 7.590 7.447 1.00 0.00 C ATOM 862 O LEU A 58 -0.451 7.803 8.454 1.00 0.00 O ATOM 863 CB LEU A 58 -3.471 8.005 8.213 1.00 0.00 C ATOM 864 CG LEU A 58 -4.955 7.641 8.034 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.832 8.326 9.087 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.453 8.035 6.639 1.00 0.00 C ATOM 0 H LEU A 58 -2.564 6.054 9.477 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.915 6.646 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.255 8.109 9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.284 8.976 7.754 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.032 6.561 8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.874 8.047 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.518 8.012 10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.729 9.408 8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.505 7.767 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.338 9.110 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.871 7.509 5.883 1.00 0.00 H new ATOM 878 N LEU A 59 -0.705 7.860 6.211 1.00 0.00 N ATOM 879 CA LEU A 59 0.596 8.478 5.975 1.00 0.00 C ATOM 880 C LEU A 59 0.594 9.897 6.555 1.00 0.00 C ATOM 881 O LEU A 59 -0.457 10.481 6.851 1.00 0.00 O ATOM 882 CB LEU A 59 0.892 8.571 4.466 1.00 0.00 C ATOM 883 CG LEU A 59 1.292 7.273 3.750 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.344 7.551 2.243 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.672 6.763 4.182 1.00 0.00 C ATOM 0 H LEU A 59 -1.240 7.661 5.365 1.00 0.00 H new ATOM 0 HA LEU A 59 1.359 7.865 6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.007 8.971 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.692 9.297 4.322 1.00 0.00 H new ATOM 0 HG LEU A 59 0.554 6.513 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.627 6.641 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.363 7.880 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.079 8.330 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.904 5.843 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.426 7.517 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.668 6.566 5.254 1.00 0.00 H new ATOM 897 N LYS A 60 1.788 10.464 6.737 1.00 0.00 N ATOM 898 CA LYS A 60 1.937 11.817 7.243 1.00 0.00 C ATOM 899 C LYS A 60 1.543 12.711 6.071 1.00 0.00 C ATOM 900 O LYS A 60 2.351 12.914 5.159 1.00 0.00 O ATOM 901 CB LYS A 60 3.374 12.035 7.750 1.00 0.00 C ATOM 902 CG LYS A 60 3.583 13.384 8.458 1.00 0.00 C ATOM 903 CD LYS A 60 3.802 14.541 7.474 1.00 0.00 C ATOM 904 CE LYS A 60 4.056 15.850 8.209 1.00 0.00 C ATOM 905 NZ LYS A 60 4.459 16.907 7.264 1.00 0.00 N ATOM 0 H LYS A 60 2.671 9.995 6.537 1.00 0.00 H new ATOM 0 HA LYS A 60 1.309 12.041 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.633 11.230 8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.061 11.967 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.715 13.601 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.443 13.311 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.649 14.315 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.928 14.646 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.155 16.155 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.836 15.708 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.628 17.792 7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.331 16.621 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.703 17.055 6.565 1.00 0.00 H new ATOM 919 N GLY A 61 0.332 13.259 6.120 1.00 0.00 N ATOM 920 CA GLY A 61 -0.229 14.125 5.097 1.00 0.00 C ATOM 921 C GLY A 61 -1.630 13.689 4.671 1.00 0.00 C ATOM 922 O GLY A 61 -2.258 14.423 3.914 1.00 0.00 O ATOM 0 H GLY A 61 -0.305 13.105 6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.268 15.148 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.428 14.129 4.227 1.00 0.00 H new ATOM 926 N ASN A 62 -2.149 12.545 5.148 1.00 0.00 N ATOM 927 CA ASN A 62 -3.476 12.009 4.816 1.00 0.00 C ATOM 928 C ASN A 62 -3.679 11.815 3.303 1.00 0.00 C ATOM 929 O ASN A 62 -4.810 11.645 2.843 1.00 0.00 O ATOM 930 CB ASN A 62 -4.583 12.866 5.463 1.00 0.00 C ATOM 931 CG ASN A 62 -4.637 12.751 6.980 1.00 0.00 C ATOM 932 OD1 ASN A 62 -3.635 12.542 7.662 1.00 0.00 O ATOM 933 ND2 ASN A 62 -5.801 12.884 7.574 1.00 0.00 N ATOM 0 H ASN A 62 -1.637 11.949 5.798 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.543 11.008 5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.427 13.910 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.547 12.570 5.050 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.866 12.814 8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.640 13.058 7.020 1.00 0.00 H new ATOM 940 N MET A 63 -2.593 11.798 2.525 1.00 0.00 N ATOM 941 CA MET A 63 -2.571 11.643 1.073 1.00 0.00 C ATOM 942 C MET A 63 -2.343 10.193 0.636 1.00 0.00 C ATOM 943 O MET A 63 -1.986 9.948 -0.515 1.00 0.00 O ATOM 944 CB MET A 63 -1.517 12.585 0.471 1.00 0.00 C ATOM 945 CG MET A 63 -1.808 14.053 0.810 1.00 0.00 C ATOM 946 SD MET A 63 -1.755 15.175 -0.603 1.00 0.00 S ATOM 947 CE MET A 63 -3.133 14.507 -1.578 1.00 0.00 C ATOM 0 H MET A 63 -1.656 11.898 2.915 1.00 0.00 H new ATOM 0 HA MET A 63 -3.555 11.916 0.692 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.530 12.314 0.846 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.493 12.459 -0.611 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.793 14.117 1.272 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.085 14.391 1.553 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.441 15.241 -2.323 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.815 13.593 -2.079 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.972 14.285 -0.918 1.00 0.00 H new ATOM 957 N GLY A 64 -2.441 9.232 1.551 1.00 0.00 N ATOM 958 CA GLY A 64 -2.295 7.826 1.252 1.00 0.00 C ATOM 959 C GLY A 64 -2.150 6.994 2.508 1.00 0.00 C ATOM 960 O GLY A 64 -2.180 7.509 3.633 1.00 0.00 O ATOM 0 H GLY A 64 -2.628 9.421 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.162 7.483 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.422 7.679 0.616 1.00 0.00 H new ATOM 964 N VAL A 65 -1.979 5.691 2.306 1.00 0.00 N ATOM 965 CA VAL A 65 -1.845 4.718 3.378 1.00 0.00 C ATOM 966 C VAL A 65 -0.551 3.939 3.247 1.00 0.00 C ATOM 967 O VAL A 65 0.072 3.918 2.185 1.00 0.00 O ATOM 968 CB VAL A 65 -3.057 3.751 3.386 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.382 4.469 3.099 1.00 0.00 C ATOM 970 CG2 VAL A 65 -2.960 2.571 2.410 1.00 0.00 C ATOM 0 H VAL A 65 -1.929 5.277 1.375 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.822 5.259 4.324 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.034 3.355 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.198 3.747 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.555 5.231 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.335 4.940 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.856 1.956 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.872 2.948 1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.083 1.970 2.652 1.00 0.00 H new ATOM 980 N CYS A 66 -0.189 3.262 4.329 1.00 0.00 N ATOM 981 CA CYS A 66 0.967 2.402 4.455 1.00 0.00 C ATOM 982 C CYS A 66 0.467 1.203 5.259 1.00 0.00 C ATOM 983 O CYS A 66 -0.298 1.392 6.214 1.00 0.00 O ATOM 984 CB CYS A 66 2.142 3.125 5.129 1.00 0.00 C ATOM 985 SG CYS A 66 1.647 4.006 6.648 1.00 0.00 S ATOM 0 H CYS A 66 -0.732 3.305 5.191 1.00 0.00 H new ATOM 0 HA CYS A 66 1.365 2.093 3.488 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.919 2.400 5.371 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.577 3.836 4.427 1.00 0.00 H new ATOM 0 HG CYS A 66 0.351 4.090 6.698 1.00 0.00 H new ATOM 991 N PHE A 67 0.811 -0.014 4.845 1.00 0.00 N ATOM 992 CA PHE A 67 0.419 -1.245 5.519 1.00 0.00 C ATOM 993 C PHE A 67 1.440 -2.338 5.210 1.00 0.00 C ATOM 994 O PHE A 67 2.292 -2.158 4.342 1.00 0.00 O ATOM 995 CB PHE A 67 -1.012 -1.651 5.124 1.00 0.00 C ATOM 996 CG PHE A 67 -1.327 -1.903 3.659 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.839 -3.053 3.009 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.247 -1.072 2.991 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.261 -3.364 1.704 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.669 -1.383 1.687 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.179 -2.532 1.044 1.00 0.00 C ATOM 0 H PHE A 67 1.382 -0.173 4.015 1.00 0.00 H new ATOM 0 HA PHE A 67 0.410 -1.087 6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.261 -2.558 5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.685 -0.869 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.137 -3.699 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.630 -0.191 3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.878 -4.244 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.371 -0.738 1.179 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.508 -2.775 0.044 1.00 0.00 H new ATOM 1011 N ASP A 68 1.362 -3.467 5.911 1.00 0.00 N ATOM 1012 CA ASP A 68 2.256 -4.613 5.739 1.00 0.00 C ATOM 1013 C ASP A 68 1.448 -5.791 5.213 1.00 0.00 C ATOM 1014 O ASP A 68 0.254 -5.900 5.514 1.00 0.00 O ATOM 1015 CB ASP A 68 2.878 -5.041 7.072 1.00 0.00 C ATOM 1016 CG ASP A 68 3.819 -4.030 7.707 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.775 -3.556 7.051 1.00 0.00 O ATOM 1018 OD2 ASP A 68 3.698 -3.813 8.938 1.00 0.00 O ATOM 0 H ASP A 68 0.657 -3.615 6.633 1.00 0.00 H new ATOM 0 HA ASP A 68 3.047 -4.322 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.074 -5.256 7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.423 -5.972 6.917 1.00 0.00 H new ATOM 1023 N VAL A 69 2.104 -6.671 4.453 1.00 0.00 N ATOM 1024 CA VAL A 69 1.554 -7.883 3.843 1.00 0.00 C ATOM 1025 C VAL A 69 2.684 -8.914 3.674 1.00 0.00 C ATOM 1026 O VAL A 69 3.861 -8.531 3.675 1.00 0.00 O ATOM 1027 CB VAL A 69 0.900 -7.565 2.471 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.459 -6.880 2.641 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.785 -6.712 1.545 1.00 0.00 C ATOM 0 H VAL A 69 3.093 -6.549 4.234 1.00 0.00 H new ATOM 0 HA VAL A 69 0.779 -8.291 4.492 1.00 0.00 H new ATOM 0 HB VAL A 69 0.768 -8.535 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.887 -6.672 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.129 -7.534 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.329 -5.945 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.261 -6.531 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.004 -5.760 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.717 -7.240 1.344 1.00 0.00 H new ATOM 1039 N PRO A 70 2.374 -10.214 3.509 1.00 0.00 N ATOM 1040 CA PRO A 70 3.408 -11.216 3.318 1.00 0.00 C ATOM 1041 C PRO A 70 3.969 -11.058 1.897 1.00 0.00 C ATOM 1042 O PRO A 70 3.285 -10.598 0.975 1.00 0.00 O ATOM 1043 CB PRO A 70 2.715 -12.559 3.555 1.00 0.00 C ATOM 1044 CG PRO A 70 1.297 -12.286 3.070 1.00 0.00 C ATOM 1045 CD PRO A 70 1.056 -10.838 3.495 1.00 0.00 C ATOM 0 HA PRO A 70 4.257 -11.126 3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.188 -13.365 2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.736 -12.847 4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.210 -12.409 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.577 -12.965 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.388 -10.330 2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.588 -10.790 4.478 1.00 0.00 H new ATOM 1053 N THR A 71 5.206 -11.496 1.692 1.00 0.00 N ATOM 1054 CA THR A 71 5.918 -11.415 0.420 1.00 0.00 C ATOM 1055 C THR A 71 5.236 -12.231 -0.691 1.00 0.00 C ATOM 1056 O THR A 71 5.478 -11.997 -1.875 1.00 0.00 O ATOM 1057 CB THR A 71 7.380 -11.830 0.660 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.396 -13.158 1.142 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.069 -10.917 1.681 1.00 0.00 C ATOM 0 H THR A 71 5.760 -11.931 2.430 1.00 0.00 H new ATOM 0 HA THR A 71 5.895 -10.388 0.054 1.00 0.00 H new ATOM 0 HB THR A 71 7.922 -11.747 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.322 -13.438 1.298 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.099 -11.243 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.060 -9.890 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.538 -10.968 2.632 1.00 0.00 H new ATOM 1067 N THR A 72 4.391 -13.203 -0.346 1.00 0.00 N ATOM 1068 CA THR A 72 3.660 -14.033 -1.299 1.00 0.00 C ATOM 1069 C THR A 72 2.498 -13.220 -1.872 1.00 0.00 C ATOM 1070 O THR A 72 2.426 -12.990 -3.080 1.00 0.00 O ATOM 1071 CB THR A 72 3.151 -15.311 -0.606 1.00 0.00 C ATOM 1072 OG1 THR A 72 2.792 -15.044 0.743 1.00 0.00 O ATOM 1073 CG2 THR A 72 4.208 -16.412 -0.624 1.00 0.00 C ATOM 0 H THR A 72 4.193 -13.439 0.626 1.00 0.00 H new ATOM 0 HA THR A 72 4.319 -14.335 -2.113 1.00 0.00 H new ATOM 0 HB THR A 72 2.275 -15.648 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.470 -15.868 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.817 -17.300 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.462 -16.656 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.101 -16.068 -0.102 1.00 0.00 H new ATOM 1081 N GLU A 73 1.607 -12.746 -0.993 1.00 0.00 N ATOM 1082 CA GLU A 73 0.443 -11.971 -1.396 1.00 0.00 C ATOM 1083 C GLU A 73 0.859 -10.653 -2.046 1.00 0.00 C ATOM 1084 O GLU A 73 0.118 -10.155 -2.883 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.523 -11.749 -0.211 1.00 0.00 C ATOM 1086 CG GLU A 73 -2.001 -11.920 -0.609 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.405 -13.398 -0.769 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -1.530 -14.276 -0.962 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -3.617 -13.716 -0.701 1.00 0.00 O ATOM 0 H GLU A 73 1.678 -12.892 0.014 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.099 -12.546 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.282 -12.453 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.373 -10.747 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.633 -11.454 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.184 -11.394 -1.546 1.00 0.00 H new ATOM 1096 N SER A 74 2.042 -10.113 -1.726 1.00 0.00 N ATOM 1097 CA SER A 74 2.562 -8.867 -2.280 1.00 0.00 C ATOM 1098 C SER A 74 2.480 -8.859 -3.815 1.00 0.00 C ATOM 1099 O SER A 74 2.021 -7.869 -4.389 1.00 0.00 O ATOM 1100 CB SER A 74 3.998 -8.660 -1.769 1.00 0.00 C ATOM 1101 OG SER A 74 4.639 -7.546 -2.365 1.00 0.00 O ATOM 0 H SER A 74 2.677 -10.546 -1.056 1.00 0.00 H new ATOM 0 HA SER A 74 1.949 -8.031 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.978 -8.526 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.582 -9.558 -1.968 1.00 0.00 H new ATOM 0 HG SER A 74 5.546 -7.459 -2.005 1.00 0.00 H new ATOM 1107 N GLU A 75 2.908 -9.926 -4.503 1.00 0.00 N ATOM 1108 CA GLU A 75 2.839 -9.948 -5.963 1.00 0.00 C ATOM 1109 C GLU A 75 1.398 -10.089 -6.449 1.00 0.00 C ATOM 1110 O GLU A 75 1.044 -9.517 -7.481 1.00 0.00 O ATOM 1111 CB GLU A 75 3.666 -11.087 -6.554 1.00 0.00 C ATOM 1112 CG GLU A 75 5.174 -10.811 -6.559 1.00 0.00 C ATOM 1113 CD GLU A 75 5.872 -11.662 -7.624 1.00 0.00 C ATOM 1114 OE1 GLU A 75 5.446 -12.821 -7.844 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.815 -11.167 -8.278 1.00 0.00 O ATOM 0 H GLU A 75 3.298 -10.768 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 75 3.249 -8.997 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.473 -11.997 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.336 -11.273 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.355 -9.754 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.593 -11.031 -5.577 1.00 0.00 H new ATOM 1122 N ARG A 76 0.568 -10.879 -5.761 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.828 -11.052 -6.162 1.00 0.00 C ATOM 1124 C ARG A 76 -1.538 -9.711 -6.053 1.00 0.00 C ATOM 1125 O ARG A 76 -2.290 -9.338 -6.940 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.550 -12.085 -5.280 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.079 -13.532 -5.455 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.367 -14.076 -6.861 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.455 -15.542 -6.839 1.00 0.00 N ATOM 1130 CZ ARG A 76 -1.793 -16.334 -7.861 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -1.913 -15.847 -9.088 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -2.008 -17.627 -7.651 1.00 0.00 N ATOM 0 H ARG A 76 0.838 -11.405 -4.930 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.848 -11.419 -7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.421 -11.801 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.618 -12.039 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.008 -13.589 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.572 -14.164 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.300 -13.656 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.579 -13.764 -7.546 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.236 -16.002 -5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.747 -14.856 -9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.172 -16.463 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.915 -18.013 -6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.266 -18.234 -8.429 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.299 -8.985 -4.966 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.871 -7.684 -4.657 1.00 0.00 C ATOM 1148 C LEU A 77 -1.544 -6.720 -5.779 1.00 0.00 C ATOM 1149 O LEU A 77 -2.423 -5.990 -6.226 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.315 -7.182 -3.312 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.143 -7.722 -2.135 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.340 -7.799 -0.842 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.327 -6.795 -1.873 1.00 0.00 C ATOM 0 H LEU A 77 -0.664 -9.310 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.955 -7.760 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.277 -7.496 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.322 -6.092 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.463 -8.725 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.973 -8.187 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.486 -8.462 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.986 -6.804 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.913 -7.180 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.961 -5.797 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.954 -6.745 -2.763 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.288 -6.716 -6.215 1.00 0.00 N ATOM 1166 CA GLN A 78 0.185 -5.865 -7.289 1.00 0.00 C ATOM 1167 C GLN A 78 -0.515 -6.205 -8.608 1.00 0.00 C ATOM 1168 O GLN A 78 -0.896 -5.282 -9.326 1.00 0.00 O ATOM 1169 CB GLN A 78 1.707 -6.007 -7.381 1.00 0.00 C ATOM 1170 CG GLN A 78 2.392 -5.194 -6.275 1.00 0.00 C ATOM 1171 CD GLN A 78 3.886 -5.454 -6.272 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.644 -4.858 -7.032 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.337 -6.410 -5.484 1.00 0.00 N ATOM 0 H GLN A 78 0.437 -7.316 -5.822 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.058 -4.823 -7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.986 -7.057 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.051 -5.666 -8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.202 -4.131 -6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.969 -5.459 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.698 -6.898 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.325 -6.662 -5.502 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.707 -7.494 -8.913 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.358 -7.913 -10.153 1.00 0.00 C ATOM 1184 C ALA A 79 -2.868 -7.644 -10.143 1.00 0.00 C ATOM 1185 O ALA A 79 -3.422 -7.248 -11.167 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.095 -9.402 -10.397 1.00 0.00 C ATOM 0 H ALA A 79 -0.418 -8.266 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.931 -7.320 -10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.582 -9.711 -11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.022 -9.574 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.494 -9.983 -9.566 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.522 -7.852 -8.999 1.00 0.00 N ATOM 1193 CA GLU A 80 -4.957 -7.663 -8.786 1.00 0.00 C ATOM 1194 C GLU A 80 -5.338 -6.178 -8.737 1.00 0.00 C ATOM 1195 O GLU A 80 -6.525 -5.848 -8.727 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.370 -8.343 -7.464 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.216 -9.878 -7.466 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.541 -10.638 -7.491 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.261 -10.611 -8.517 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.861 -11.302 -6.475 1.00 0.00 O ATOM 0 H GLU A 80 -3.043 -8.172 -8.157 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.483 -8.114 -9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.770 -7.930 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.409 -8.094 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.625 -10.172 -8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.655 -10.177 -6.581 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.359 -5.274 -8.640 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.626 -3.850 -8.596 1.00 0.00 C ATOM 1209 C TRP A 81 -4.820 -3.345 -10.022 1.00 0.00 C ATOM 1210 O TRP A 81 -3.912 -3.407 -10.857 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.533 -3.083 -7.854 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.047 -1.802 -7.275 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.732 -0.548 -7.671 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.049 -1.656 -6.228 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.495 0.362 -6.964 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.329 -0.269 -6.056 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.770 -2.570 -5.428 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.290 0.173 -5.129 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.716 -2.136 -4.493 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.982 -0.767 -4.343 1.00 0.00 C ATOM 0 H TRP A 81 -3.369 -5.515 -8.591 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.540 -3.673 -8.029 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.130 -3.706 -7.056 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.711 -2.869 -8.538 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.998 -0.297 -8.423 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.450 1.373 -7.095 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.587 -3.628 -5.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.496 1.228 -5.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.243 -2.857 -3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.717 -0.435 -3.625 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.018 -2.844 -10.295 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.487 -2.301 -11.563 1.00 0.00 C ATOM 1233 C HIS A 82 -7.849 -1.657 -11.290 1.00 0.00 C ATOM 1234 O HIS A 82 -8.377 -1.777 -10.179 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.655 -3.448 -12.587 1.00 0.00 C ATOM 1236 CG HIS A 82 -7.487 -4.621 -12.106 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -8.427 -4.614 -11.096 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -7.397 -5.908 -12.561 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -8.863 -5.869 -10.918 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -8.284 -6.692 -11.808 1.00 0.00 N ATOM 0 H HIS A 82 -6.743 -2.804 -9.579 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.780 -1.576 -11.967 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.112 -3.044 -13.490 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.667 -3.813 -12.866 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.757 -6.258 -13.358 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.577 -6.174 -10.167 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.456 -7.692 -11.915 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.452 -1.034 -12.298 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.762 -0.393 -12.247 1.00 0.00 C ATOM 1250 C ASP A 83 -9.934 0.662 -11.138 1.00 0.00 C ATOM 1251 O ASP A 83 -11.060 0.904 -10.701 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.833 -1.502 -12.227 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.205 -1.018 -12.675 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.376 -0.790 -13.897 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -13.139 -0.983 -11.833 1.00 0.00 O ATOM 0 H ASP A 83 -8.019 -0.959 -13.218 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.879 0.215 -13.144 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.514 -2.319 -12.875 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.909 -1.907 -11.218 1.00 0.00 H new ATOM 1260 N SER A 84 -8.857 1.273 -10.627 1.00 0.00 N ATOM 1261 CA SER A 84 -8.915 2.293 -9.593 1.00 0.00 C ATOM 1262 C SER A 84 -7.920 3.386 -9.954 1.00 0.00 C ATOM 1263 O SER A 84 -6.950 3.169 -10.678 1.00 0.00 O ATOM 1264 CB SER A 84 -8.630 1.702 -8.202 1.00 0.00 C ATOM 1265 OG SER A 84 -9.607 2.170 -7.284 1.00 0.00 O ATOM 0 H SER A 84 -7.907 1.062 -10.932 1.00 0.00 H new ATOM 0 HA SER A 84 -9.920 2.713 -9.543 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.648 0.613 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.633 1.991 -7.869 1.00 0.00 H new ATOM 0 HG SER A 84 -9.163 2.512 -6.480 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.169 4.585 -9.449 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.335 5.760 -9.682 1.00 0.00 C ATOM 1273 C ASP A 85 -6.105 5.800 -8.781 1.00 0.00 C ATOM 1274 O ASP A 85 -5.171 6.557 -9.062 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.149 7.011 -9.337 1.00 0.00 C ATOM 1276 CG ASP A 85 -8.775 7.669 -10.549 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -8.044 8.349 -11.304 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.006 7.542 -10.704 1.00 0.00 O ATOM 0 H ASP A 85 -8.974 4.775 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.018 5.720 -10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.935 6.742 -8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.502 7.730 -8.835 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.121 5.032 -7.692 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.045 4.995 -6.709 1.00 0.00 C ATOM 1285 C TRP A 86 -3.816 4.258 -7.238 1.00 0.00 C ATOM 1286 O TRP A 86 -3.955 3.270 -7.966 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.575 4.363 -5.425 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.599 5.153 -4.658 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.852 5.449 -5.074 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.529 5.620 -3.279 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.548 6.085 -4.067 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.799 6.149 -2.907 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.526 5.590 -2.288 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.061 6.579 -1.594 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -5.799 5.952 -0.960 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.068 6.440 -0.610 1.00 0.00 C ATOM 0 H TRP A 86 -6.896 4.409 -7.467 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.717 6.013 -6.500 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -6.009 3.395 -5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.729 4.171 -4.765 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.249 5.221 -6.052 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.492 6.459 -4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.526 5.282 -2.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.018 7.013 -1.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.032 5.855 -0.206 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.281 6.708 0.414 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.623 4.739 -6.882 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.341 4.173 -7.306 1.00 0.00 C ATOM 1309 C ILE A 87 -0.832 3.268 -6.186 1.00 0.00 C ATOM 1310 O ILE A 87 -0.852 3.669 -5.020 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.335 5.306 -7.615 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.862 6.299 -8.679 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.010 4.720 -8.076 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -0.135 7.644 -8.610 1.00 0.00 C ATOM 0 H ILE A 87 -2.519 5.553 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.461 3.589 -8.219 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.198 5.862 -6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.736 5.868 -9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.931 6.455 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.706 5.531 -8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.420 4.087 -7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.858 4.126 -8.977 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.534 8.313 -9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.283 8.087 -7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.930 7.491 -8.783 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.335 2.080 -6.535 1.00 0.00 N ATOM 1327 CA LEU A 88 0.189 1.069 -5.618 1.00 0.00 C ATOM 1328 C LEU A 88 1.699 0.916 -5.765 1.00 0.00 C ATOM 1329 O LEU A 88 2.191 0.750 -6.883 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.520 -0.256 -5.949 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.036 -1.497 -5.172 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.212 -1.340 -3.663 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.881 -2.690 -5.613 1.00 0.00 C ATOM 0 H LEU A 88 -0.285 1.784 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 88 0.001 1.366 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.587 -0.130 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.402 -0.451 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 88 1.025 -1.633 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.143 -2.239 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.362 -0.480 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.267 -1.188 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.558 -3.583 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.930 -2.494 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.759 -2.846 -6.685 1.00 0.00 H new ATOM 1345 N SER A 89 2.440 0.992 -4.660 1.00 0.00 N ATOM 1346 CA SER A 89 3.887 0.830 -4.660 1.00 0.00 C ATOM 1347 C SER A 89 4.330 -0.004 -3.454 1.00 0.00 C ATOM 1348 O SER A 89 3.571 -0.207 -2.501 1.00 0.00 O ATOM 1349 CB SER A 89 4.588 2.195 -4.759 1.00 0.00 C ATOM 1350 OG SER A 89 4.184 3.092 -3.741 1.00 0.00 O ATOM 0 H SER A 89 2.047 1.169 -3.735 1.00 0.00 H new ATOM 0 HA SER A 89 4.192 0.273 -5.546 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.667 2.050 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.377 2.638 -5.732 1.00 0.00 H new ATOM 0 HG SER A 89 4.659 3.943 -3.847 1.00 0.00 H new ATOM 1356 N VAL A 90 5.575 -0.469 -3.509 1.00 0.00 N ATOM 1357 CA VAL A 90 6.261 -1.266 -2.516 1.00 0.00 C ATOM 1358 C VAL A 90 7.668 -0.657 -2.385 1.00 0.00 C ATOM 1359 O VAL A 90 8.554 -0.969 -3.191 1.00 0.00 O ATOM 1360 CB VAL A 90 6.191 -2.763 -2.880 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.297 -3.122 -4.369 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.196 -3.610 -2.084 1.00 0.00 C ATOM 0 H VAL A 90 6.170 -0.279 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 90 5.796 -1.238 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 90 5.169 -3.010 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.234 -4.204 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.482 -2.649 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.251 -2.769 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.105 -4.655 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.208 -3.262 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.989 -3.514 -1.018 1.00 0.00 H new ATOM 1372 N PRO A 91 7.863 0.283 -1.442 1.00 0.00 N ATOM 1373 CA PRO A 91 9.149 0.920 -1.215 1.00 0.00 C ATOM 1374 C PRO A 91 10.120 -0.056 -0.525 1.00 0.00 C ATOM 1375 O PRO A 91 9.843 -1.253 -0.359 1.00 0.00 O ATOM 1376 CB PRO A 91 8.828 2.165 -0.372 1.00 0.00 C ATOM 1377 CG PRO A 91 7.548 1.814 0.387 1.00 0.00 C ATOM 1378 CD PRO A 91 6.880 0.732 -0.462 1.00 0.00 C ATOM 0 HA PRO A 91 9.657 1.208 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.642 2.397 0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.684 3.042 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.769 1.450 1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.902 2.685 0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.552 -0.099 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.994 1.126 -0.959 1.00 0.00 H new ATOM 1386 N ALA A 92 11.302 0.453 -0.167 1.00 0.00 N ATOM 1387 CA ALA A 92 12.336 -0.314 0.513 1.00 0.00 C ATOM 1388 C ALA A 92 11.825 -0.828 1.855 1.00 0.00 C ATOM 1389 O ALA A 92 10.990 -0.128 2.470 1.00 0.00 O ATOM 1390 CB ALA A 92 13.584 0.545 0.690 1.00 0.00 C ATOM 0 H ALA A 92 11.566 1.422 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 92 12.597 -1.180 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.355 -0.034 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.952 0.858 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.339 1.425 1.284 1.00 0.00 H new TER 1396 ALA A 92