USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 935 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 104 SER OG : rot -51:sc= 1.58 USER MOD Set 1.2: A 116 SER OG : rot -70:sc= -0.286 USER MOD Set 2.1: A 101 SER OG : rot 180:sc= 0.0948 USER MOD Set 2.2: A 103 THR OG1 : rot 34:sc= 0.0924 USER MOD Set 3.1: A 80 THR OG1 : rot -140:sc= 0 USER MOD Set 3.2: A 86 SER OG : rot 94:sc= 0.919 USER MOD Set 4.1: A 9 SER OG : rot -89:sc= 0.513 USER MOD Set 4.2: A 37 TYR OH : rot 30:sc= 0.471 USER MOD Set 5.1: A 28 THR OG1 : rot 11:sc= 0.839! USER MOD Set 5.2: A 47 THR OG1 : rot -79:sc= 0.962 USER MOD Single : A 1 ASN :FLIP amide:sc= -7.28! C(o=-11!,f=-7.3!) USER MOD Single : A 1 ASN N :NH3+ -119:sc= 0.117 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -152:sc= -3.08! (180deg=-4.12!) USER MOD Single : A 17 THR OG1 : rot 41:sc= 0.136 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0038 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.121 (180deg=-0.528) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 27 THR OG1 : rot -130:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= -0.0674 (180deg=-0.431) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.73 F(o=-1.3,f=-0.73) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 36:sc= 0.0711 USER MOD Single : A 44 GLN : amide:sc= -0.17 X(o=-0.17,f=0.15) USER MOD Single : A 45 THR OG1 : rot -150:sc= -0.27 USER MOD Single : A 49 ASN :FLIP amide:sc= -9.83! C(o=-13!,f=-9.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.629 USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= 0.0463 (180deg=-0.103) USER MOD Single : A 67 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-6!) USER MOD Single : A 73 ASN :FLIP amide:sc= -2.16! C(o=-4.5!,f=-2.2!) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0268 F(o=-1,f=-0.027) USER MOD Single : A 79 LYS NZ :NH3+ -130:sc= 0.312 (180deg=-2.34!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -7.92! C(o=-9.1!,f=-7.9!) USER MOD Single : A 91 SER OG : rot -12:sc= 0.907 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -72:sc= 0.832 USER MOD Single : A 109 GLN : amide:sc= -0.707 X(o=-0.71,f=-0.49) USER MOD Single : A 117 HIS :FLIP no HE2:sc= -0.188 F(o=-1.5,f=-0.19) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.543 -0.069 -2.936 1.00 0.00 N ATOM 21 CA ASN A 1 31.171 0.262 -2.574 1.00 0.00 C ATOM 22 C ASN A 1 30.175 -0.513 -3.427 1.00 0.00 C ATOM 23 O ASN A 1 30.560 -1.230 -4.351 1.00 0.00 O ATOM 24 CB ASN A 1 30.938 1.764 -2.721 1.00 0.00 C ATOM 25 CG ASN A 1 31.502 2.545 -1.552 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.688 2.717 -0.520 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.652 2.985 -1.576 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.029 -0.481 -2.114 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.540 -0.756 -3.717 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.041 0.794 -3.236 1.00 0.00 H new ATOM 0 HA ASN A 1 31.016 -0.023 -1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.398 2.113 -3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 1 29.869 1.958 -2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.242 2.827 -2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.015 3.507 -0.779 1.00 0.00 H new ATOM 34 N CYS A 2 28.890 -0.363 -3.114 1.00 0.00 N ATOM 35 CA CYS A 2 27.842 -1.061 -3.848 1.00 0.00 C ATOM 36 C CYS A 2 27.389 -0.274 -5.071 1.00 0.00 C ATOM 37 O CYS A 2 26.589 -0.765 -5.868 1.00 0.00 O ATOM 38 CB CYS A 2 26.654 -1.350 -2.933 1.00 0.00 C ATOM 39 SG CYS A 2 26.966 -2.693 -1.746 1.00 0.00 S ATOM 0 H CYS A 2 28.552 0.234 -2.359 1.00 0.00 H new ATOM 0 HA CYS A 2 28.259 -2.005 -4.199 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.398 -0.443 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.789 -1.609 -3.544 1.00 0.00 H new ATOM 44 N GLY A 3 27.897 0.944 -5.223 1.00 0.00 N ATOM 45 CA GLY A 3 27.512 1.780 -6.343 1.00 0.00 C ATOM 46 C GLY A 3 26.418 2.758 -5.949 1.00 0.00 C ATOM 47 O GLY A 3 25.657 2.486 -5.020 1.00 0.00 O ATOM 0 H GLY A 3 28.572 1.368 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.381 2.329 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.165 1.154 -7.165 1.00 0.00 H new ATOM 51 N PRO A 4 26.312 3.912 -6.632 1.00 0.00 N ATOM 52 CA PRO A 4 25.294 4.923 -6.322 1.00 0.00 C ATOM 53 C PRO A 4 23.896 4.322 -6.168 1.00 0.00 C ATOM 54 O PRO A 4 23.447 3.548 -7.013 1.00 0.00 O ATOM 55 CB PRO A 4 25.362 5.859 -7.529 1.00 0.00 C ATOM 56 CG PRO A 4 26.778 5.760 -7.976 1.00 0.00 C ATOM 57 CD PRO A 4 27.172 4.325 -7.759 1.00 0.00 C ATOM 0 HA PRO A 4 25.480 5.420 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.672 5.550 -8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.099 6.881 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.878 6.040 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.417 6.433 -7.404 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.993 3.719 -8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.230 4.229 -7.516 1.00 0.00 H new ATOM 65 N PRO A 5 23.194 4.679 -5.074 1.00 0.00 N ATOM 66 CA PRO A 5 21.847 4.171 -4.786 1.00 0.00 C ATOM 67 C PRO A 5 20.899 4.270 -5.980 1.00 0.00 C ATOM 68 O PRO A 5 20.797 5.316 -6.620 1.00 0.00 O ATOM 69 CB PRO A 5 21.367 5.076 -3.650 1.00 0.00 C ATOM 70 CG PRO A 5 22.614 5.494 -2.956 1.00 0.00 C ATOM 71 CD PRO A 5 23.665 5.606 -4.028 1.00 0.00 C ATOM 0 HA PRO A 5 21.865 3.110 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.818 5.936 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.696 4.544 -2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.476 6.446 -2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.904 4.764 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.747 6.626 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.649 5.323 -3.655 1.00 0.00 H new ATOM 79 N PRO A 6 20.191 3.168 -6.287 1.00 0.00 N ATOM 80 CA PRO A 6 19.238 3.118 -7.401 1.00 0.00 C ATOM 81 C PRO A 6 17.914 3.796 -7.068 1.00 0.00 C ATOM 82 O PRO A 6 17.691 4.292 -5.963 1.00 0.00 O ATOM 83 CB PRO A 6 19.018 1.619 -7.597 1.00 0.00 C ATOM 84 CG PRO A 6 19.239 1.022 -6.250 1.00 0.00 C ATOM 85 CD PRO A 6 20.276 1.878 -5.574 1.00 0.00 C ATOM 0 HA PRO A 6 19.614 3.639 -8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.012 1.411 -7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.713 1.210 -8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.313 1.006 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.580 -0.010 -6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.066 1.995 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.271 1.441 -5.657 1.00 0.00 H new ATOM 93 N THR A 7 17.045 3.789 -8.077 1.00 0.00 N ATOM 94 CA THR A 7 15.714 4.376 -7.994 1.00 0.00 C ATOM 95 C THR A 7 14.676 3.265 -7.883 1.00 0.00 C ATOM 96 O THR A 7 13.889 3.069 -8.809 1.00 0.00 O ATOM 97 CB THR A 7 15.408 5.213 -9.252 1.00 0.00 C ATOM 98 OG1 THR A 7 16.527 6.050 -9.564 1.00 0.00 O ATOM 99 CG2 THR A 7 14.172 6.075 -9.040 1.00 0.00 C ATOM 0 H THR A 7 17.250 3.370 -8.984 1.00 0.00 H new ATOM 0 HA THR A 7 15.677 5.022 -7.117 1.00 0.00 H new ATOM 0 HB THR A 7 15.220 4.530 -10.080 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.327 6.578 -10.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.975 6.657 -9.941 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.315 5.436 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.339 6.750 -8.201 1.00 0.00 H new ATOM 107 N LEU A 8 14.701 2.509 -6.789 1.00 0.00 N ATOM 108 CA LEU A 8 13.769 1.394 -6.606 1.00 0.00 C ATOM 109 C LEU A 8 12.320 1.803 -6.890 1.00 0.00 C ATOM 110 O LEU A 8 12.045 2.860 -7.455 1.00 0.00 O ATOM 111 CB LEU A 8 13.860 0.855 -5.173 1.00 0.00 C ATOM 112 CG LEU A 8 15.205 0.246 -4.772 1.00 0.00 C ATOM 113 CD1 LEU A 8 16.220 1.337 -4.464 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.026 -0.663 -3.566 1.00 0.00 C ATOM 0 H LEU A 8 15.353 2.645 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 8 14.055 0.621 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.632 1.668 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.087 0.099 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 8 15.581 -0.344 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.169 0.882 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.365 1.959 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.854 1.953 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.989 -1.092 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.631 -0.085 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.330 -1.464 -3.814 1.00 0.00 H new ATOM 126 N SER A 9 11.395 0.959 -6.460 1.00 0.00 N ATOM 127 CA SER A 9 9.976 1.224 -6.668 1.00 0.00 C ATOM 128 C SER A 9 9.189 0.990 -5.388 1.00 0.00 C ATOM 129 O SER A 9 8.301 1.770 -5.043 1.00 0.00 O ATOM 130 CB SER A 9 9.426 0.339 -7.789 1.00 0.00 C ATOM 131 OG SER A 9 8.080 0.670 -8.085 1.00 0.00 O ATOM 0 H SER A 9 11.597 0.089 -5.967 1.00 0.00 H new ATOM 0 HA SER A 9 9.866 2.269 -6.956 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.038 0.457 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.490 -0.709 -7.495 1.00 0.00 H new ATOM 0 HG SER A 9 7.481 0.144 -7.515 1.00 0.00 H new ATOM 137 N PHE A 10 9.520 -0.086 -4.687 1.00 0.00 N ATOM 138 CA PHE A 10 8.845 -0.419 -3.442 1.00 0.00 C ATOM 139 C PHE A 10 9.070 0.674 -2.408 1.00 0.00 C ATOM 140 O PHE A 10 8.337 0.780 -1.430 1.00 0.00 O ATOM 141 CB PHE A 10 9.346 -1.760 -2.899 1.00 0.00 C ATOM 142 CG PHE A 10 9.565 -2.808 -3.957 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.791 -2.922 -4.593 1.00 0.00 C ATOM 144 CD2 PHE A 10 8.548 -3.679 -4.313 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.000 -3.885 -5.563 1.00 0.00 C ATOM 146 CE2 PHE A 10 8.749 -4.643 -5.283 1.00 0.00 C ATOM 147 CZ PHE A 10 9.977 -4.746 -5.909 1.00 0.00 C ATOM 0 H PHE A 10 10.252 -0.742 -4.960 1.00 0.00 H new ATOM 0 HA PHE A 10 7.777 -0.500 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.282 -1.597 -2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.626 -2.137 -2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.594 -2.250 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.587 -3.604 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.961 -3.964 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.947 -5.315 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.136 -5.498 -6.667 1.00 0.00 H new ATOM 157 N ALA A 11 10.075 1.504 -2.644 1.00 0.00 N ATOM 158 CA ALA A 11 10.398 2.570 -1.713 1.00 0.00 C ATOM 159 C ALA A 11 11.052 3.765 -2.397 1.00 0.00 C ATOM 160 O ALA A 11 11.564 3.684 -3.515 1.00 0.00 O ATOM 161 CB ALA A 11 11.319 2.022 -0.635 1.00 0.00 C ATOM 0 H ALA A 11 10.676 1.459 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 11 9.465 2.927 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.567 2.816 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.818 1.211 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.233 1.645 -1.094 1.00 0.00 H new ATOM 167 N ALA A 12 11.012 4.876 -1.667 1.00 0.00 N ATOM 168 CA ALA A 12 11.644 6.110 -2.115 1.00 0.00 C ATOM 169 C ALA A 12 12.578 6.644 -1.032 1.00 0.00 C ATOM 170 O ALA A 12 12.499 6.216 0.115 1.00 0.00 O ATOM 171 CB ALA A 12 10.595 7.149 -2.481 1.00 0.00 C ATOM 0 H ALA A 12 10.548 4.946 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 12 12.232 5.896 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.088 8.063 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.966 6.764 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.978 7.366 -1.609 1.00 0.00 H new ATOM 177 N PRO A 13 13.461 7.599 -1.367 1.00 0.00 N ATOM 178 CA PRO A 13 14.413 8.152 -0.400 1.00 0.00 C ATOM 179 C PRO A 13 13.728 8.977 0.684 1.00 0.00 C ATOM 180 O PRO A 13 12.782 9.718 0.415 1.00 0.00 O ATOM 181 CB PRO A 13 15.325 9.033 -1.258 1.00 0.00 C ATOM 182 CG PRO A 13 14.504 9.393 -2.449 1.00 0.00 C ATOM 183 CD PRO A 13 13.579 8.231 -2.694 1.00 0.00 C ATOM 0 HA PRO A 13 14.946 7.369 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.641 9.922 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.230 8.499 -1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.939 10.308 -2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.138 9.575 -3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.610 8.561 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.988 7.541 -3.432 1.00 0.00 H new ATOM 191 N MET A 14 14.226 8.839 1.914 1.00 0.00 N ATOM 192 CA MET A 14 13.663 9.569 3.045 1.00 0.00 C ATOM 193 C MET A 14 14.723 9.871 4.103 1.00 0.00 C ATOM 194 O MET A 14 14.479 10.641 5.032 1.00 0.00 O ATOM 195 CB MET A 14 12.519 8.766 3.669 1.00 0.00 C ATOM 196 CG MET A 14 11.728 9.530 4.720 1.00 0.00 C ATOM 197 SD MET A 14 10.770 10.895 4.027 1.00 0.00 S ATOM 198 CE MET A 14 11.998 12.200 3.984 1.00 0.00 C ATOM 0 H MET A 14 15.012 8.233 2.149 1.00 0.00 H new ATOM 0 HA MET A 14 13.281 10.519 2.672 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.840 8.447 2.879 1.00 0.00 H new ATOM 0 HB3 MET A 14 12.928 7.863 4.122 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.054 8.842 5.230 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.415 9.920 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.504 13.168 4.069 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.693 12.073 4.814 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.545 12.154 3.042 1.00 0.00 H new ATOM 208 N ASP A 15 15.898 9.268 3.958 1.00 0.00 N ATOM 209 CA ASP A 15 16.983 9.480 4.912 1.00 0.00 C ATOM 210 C ASP A 15 18.330 9.109 4.303 1.00 0.00 C ATOM 211 O ASP A 15 18.809 7.987 4.471 1.00 0.00 O ATOM 212 CB ASP A 15 16.746 8.657 6.178 1.00 0.00 C ATOM 213 CG ASP A 15 17.732 8.993 7.280 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.816 8.372 7.317 1.00 0.00 O ATOM 215 OD2 ASP A 15 17.421 9.877 8.106 1.00 0.00 O ATOM 0 H ASP A 15 16.124 8.632 3.194 1.00 0.00 H new ATOM 0 HA ASP A 15 16.999 10.539 5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.732 8.831 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.821 7.596 5.938 1.00 0.00 H new ATOM 220 N ILE A 16 18.934 10.056 3.591 1.00 0.00 N ATOM 221 CA ILE A 16 20.220 9.835 2.954 1.00 0.00 C ATOM 222 C ILE A 16 20.695 11.080 2.225 1.00 0.00 C ATOM 223 O ILE A 16 20.269 11.353 1.104 1.00 0.00 O ATOM 224 CB ILE A 16 20.151 8.668 1.955 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.416 8.612 1.097 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.909 8.780 1.082 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.496 7.388 0.211 1.00 0.00 C ATOM 0 H ILE A 16 18.547 10.988 3.443 1.00 0.00 H new ATOM 0 HA ILE A 16 20.928 9.591 3.746 1.00 0.00 H new ATOM 0 HB ILE A 16 20.086 7.739 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.461 9.505 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.289 8.635 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.880 7.945 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.019 8.758 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.938 9.718 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.419 7.417 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.483 6.490 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.643 7.374 -0.468 1.00 0.00 H new ATOM 239 N THR A 17 21.563 11.848 2.867 1.00 0.00 N ATOM 240 CA THR A 17 22.101 13.041 2.238 1.00 0.00 C ATOM 241 C THR A 17 22.770 12.664 0.929 1.00 0.00 C ATOM 242 O THR A 17 23.763 11.935 0.916 1.00 0.00 O ATOM 243 CB THR A 17 23.117 13.767 3.135 1.00 0.00 C ATOM 244 OG1 THR A 17 24.029 12.826 3.714 1.00 0.00 O ATOM 245 CG2 THR A 17 22.411 14.545 4.236 1.00 0.00 C ATOM 0 H THR A 17 21.905 11.668 3.811 1.00 0.00 H new ATOM 0 HA THR A 17 21.268 13.722 2.063 1.00 0.00 H new ATOM 0 HB THR A 17 23.673 14.471 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.285 12.161 3.041 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.151 15.050 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.746 15.285 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.829 13.858 4.851 1.00 0.00 H new ATOM 253 N LEU A 18 22.222 13.158 -0.172 1.00 0.00 N ATOM 254 CA LEU A 18 22.756 12.855 -1.483 1.00 0.00 C ATOM 255 C LEU A 18 24.026 13.651 -1.755 1.00 0.00 C ATOM 256 O LEU A 18 24.318 14.010 -2.896 1.00 0.00 O ATOM 257 CB LEU A 18 21.715 13.161 -2.558 1.00 0.00 C ATOM 258 CG LEU A 18 20.795 11.998 -2.933 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.612 10.791 -3.371 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.890 11.636 -1.767 1.00 0.00 C ATOM 0 H LEU A 18 21.407 13.771 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 18 23.003 11.794 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.099 13.993 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.233 13.496 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 18 20.169 12.311 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.941 9.973 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.217 11.057 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.264 10.477 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.243 10.807 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.499 11.343 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.279 12.498 -1.500 1.00 0.00 H new ATOM 272 N THR A 19 24.780 13.914 -0.699 1.00 0.00 N ATOM 273 CA THR A 19 26.016 14.674 -0.805 1.00 0.00 C ATOM 274 C THR A 19 27.186 13.764 -1.158 1.00 0.00 C ATOM 275 O THR A 19 28.336 14.203 -1.210 1.00 0.00 O ATOM 276 CB THR A 19 26.321 15.412 0.510 1.00 0.00 C ATOM 277 OG1 THR A 19 26.620 14.467 1.545 1.00 0.00 O ATOM 278 CG2 THR A 19 25.134 16.267 0.929 1.00 0.00 C ATOM 0 H THR A 19 24.555 13.610 0.248 1.00 0.00 H new ATOM 0 HA THR A 19 25.883 15.406 -1.601 1.00 0.00 H new ATOM 0 HB THR A 19 27.184 16.059 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.815 14.945 2.378 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.367 16.782 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.922 17.002 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.261 15.631 1.075 1.00 0.00 H new ATOM 286 N GLU A 20 26.881 12.495 -1.401 1.00 0.00 N ATOM 287 CA GLU A 20 27.901 11.515 -1.749 1.00 0.00 C ATOM 288 C GLU A 20 27.442 10.647 -2.914 1.00 0.00 C ATOM 289 O GLU A 20 26.409 10.912 -3.530 1.00 0.00 O ATOM 290 CB GLU A 20 28.221 10.638 -0.541 1.00 0.00 C ATOM 291 CG GLU A 20 28.759 11.417 0.646 1.00 0.00 C ATOM 292 CD GLU A 20 29.285 10.517 1.746 1.00 0.00 C ATOM 293 OE1 GLU A 20 28.473 10.059 2.578 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.508 10.269 1.774 1.00 0.00 O ATOM 0 H GLU A 20 25.933 12.120 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 20 28.801 12.051 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.319 10.107 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.952 9.884 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.558 12.078 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.969 12.051 1.048 1.00 0.00 H new ATOM 301 N THR A 21 28.213 9.607 -3.211 1.00 0.00 N ATOM 302 CA THR A 21 27.884 8.704 -4.304 1.00 0.00 C ATOM 303 C THR A 21 28.195 7.258 -3.935 1.00 0.00 C ATOM 304 O THR A 21 27.799 6.329 -4.639 1.00 0.00 O ATOM 305 CB THR A 21 28.665 9.068 -5.577 1.00 0.00 C ATOM 306 OG1 THR A 21 28.955 10.471 -5.589 1.00 0.00 O ATOM 307 CG2 THR A 21 27.870 8.706 -6.820 1.00 0.00 C ATOM 0 H THR A 21 29.069 9.370 -2.710 1.00 0.00 H new ATOM 0 HA THR A 21 26.815 8.808 -4.492 1.00 0.00 H new ATOM 0 HB THR A 21 29.596 8.502 -5.579 1.00 0.00 H new ATOM 0 HG1 THR A 21 29.454 10.695 -6.402 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.442 8.973 -7.708 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.670 7.634 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 21 26.926 9.251 -6.820 1.00 0.00 H new ATOM 315 N ARG A 22 28.903 7.077 -2.825 1.00 0.00 N ATOM 316 CA ARG A 22 29.279 5.748 -2.359 1.00 0.00 C ATOM 317 C ARG A 22 28.824 5.542 -0.920 1.00 0.00 C ATOM 318 O ARG A 22 28.738 6.501 -0.152 1.00 0.00 O ATOM 319 CB ARG A 22 30.788 5.572 -2.440 1.00 0.00 C ATOM 320 CG ARG A 22 31.347 5.745 -3.841 1.00 0.00 C ATOM 321 CD ARG A 22 32.848 5.509 -3.874 1.00 0.00 C ATOM 322 NE ARG A 22 33.568 6.458 -3.029 1.00 0.00 N ATOM 323 CZ ARG A 22 34.891 6.482 -2.907 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.639 5.611 -3.571 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.470 7.379 -2.122 1.00 0.00 N ATOM 0 H ARG A 22 29.229 7.838 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 22 28.793 5.010 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.265 6.293 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.050 4.579 -2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.853 5.049 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.128 6.751 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.063 4.493 -3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.206 5.593 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 22 33.024 7.142 -2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.199 4.919 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.654 5.633 -3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.900 8.052 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.486 7.396 -2.030 1.00 0.00 H new ATOM 339 N PHE A 23 28.535 4.297 -0.546 1.00 0.00 N ATOM 340 CA PHE A 23 28.077 3.975 0.802 1.00 0.00 C ATOM 341 C PHE A 23 28.633 2.616 1.240 1.00 0.00 C ATOM 342 O PHE A 23 28.258 1.579 0.692 1.00 0.00 O ATOM 343 CB PHE A 23 26.546 3.972 0.840 1.00 0.00 C ATOM 344 CG PHE A 23 25.936 5.274 0.399 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.884 5.609 -0.944 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.430 6.170 1.327 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.343 6.808 -1.355 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.884 7.374 0.922 1.00 0.00 C ATOM 349 CZ PHE A 23 24.842 7.694 -0.422 1.00 0.00 C ATOM 0 H PHE A 23 28.611 3.489 -1.164 1.00 0.00 H new ATOM 0 HA PHE A 23 28.443 4.732 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.175 3.171 0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.215 3.749 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.273 4.921 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.462 5.925 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.311 7.054 -2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.491 8.063 1.655 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.418 8.635 -0.742 1.00 0.00 H new ATOM 359 N LYS A 24 29.536 2.637 2.224 1.00 0.00 N ATOM 360 CA LYS A 24 30.184 1.420 2.730 1.00 0.00 C ATOM 361 C LYS A 24 29.190 0.295 3.007 1.00 0.00 C ATOM 362 O LYS A 24 27.979 0.506 3.022 1.00 0.00 O ATOM 363 CB LYS A 24 30.963 1.728 4.008 1.00 0.00 C ATOM 364 CG LYS A 24 31.894 2.920 3.872 1.00 0.00 C ATOM 365 CD LYS A 24 32.697 3.157 5.142 1.00 0.00 C ATOM 366 CE LYS A 24 31.811 3.630 6.282 1.00 0.00 C ATOM 367 NZ LYS A 24 31.056 4.862 5.923 1.00 0.00 N ATOM 0 H LYS A 24 29.838 3.492 2.691 1.00 0.00 H new ATOM 0 HA LYS A 24 30.861 1.079 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.258 1.917 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.546 0.851 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 32.575 2.756 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.312 3.811 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.202 2.236 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.472 3.899 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.110 2.839 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.424 3.823 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.711 5.323 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.681 5.515 5.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.247 4.610 5.319 1.00 0.00 H new ATOM 381 N THR A 25 29.726 -0.903 3.245 1.00 0.00 N ATOM 382 CA THR A 25 28.906 -2.073 3.517 1.00 0.00 C ATOM 383 C THR A 25 28.177 -1.959 4.845 1.00 0.00 C ATOM 384 O THR A 25 27.291 -2.757 5.148 1.00 0.00 O ATOM 385 CB THR A 25 29.737 -3.359 3.528 1.00 0.00 C ATOM 386 OG1 THR A 25 31.053 -3.094 4.026 1.00 0.00 O ATOM 387 CG2 THR A 25 29.818 -3.989 2.139 1.00 0.00 C ATOM 0 H THR A 25 30.730 -1.084 3.254 1.00 0.00 H new ATOM 0 HA THR A 25 28.176 -2.119 2.709 1.00 0.00 H new ATOM 0 HB THR A 25 29.239 -4.069 4.188 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.574 -3.924 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.416 -4.899 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.814 -4.232 1.790 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.282 -3.286 1.447 1.00 0.00 H new ATOM 395 N GLY A 26 28.548 -0.963 5.631 1.00 0.00 N ATOM 396 CA GLY A 26 27.920 -0.766 6.922 1.00 0.00 C ATOM 397 C GLY A 26 26.759 0.198 6.836 1.00 0.00 C ATOM 398 O GLY A 26 25.937 0.282 7.749 1.00 0.00 O ATOM 0 H GLY A 26 29.274 -0.285 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.570 -1.724 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.656 -0.387 7.631 1.00 0.00 H new ATOM 402 N THR A 27 26.701 0.929 5.731 1.00 0.00 N ATOM 403 CA THR A 27 25.640 1.907 5.502 1.00 0.00 C ATOM 404 C THR A 27 24.268 1.241 5.451 1.00 0.00 C ATOM 405 O THR A 27 24.164 0.023 5.329 1.00 0.00 O ATOM 406 CB THR A 27 25.866 2.679 4.187 1.00 0.00 C ATOM 407 OG1 THR A 27 25.193 3.943 4.242 1.00 0.00 O ATOM 408 CG2 THR A 27 25.353 1.886 2.991 1.00 0.00 C ATOM 0 H THR A 27 27.380 0.864 4.973 1.00 0.00 H new ATOM 0 HA THR A 27 25.670 2.602 6.341 1.00 0.00 H new ATOM 0 HB THR A 27 26.938 2.836 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.653 4.062 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.525 2.454 2.077 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.881 0.934 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.285 1.702 3.108 1.00 0.00 H new ATOM 416 N THR A 28 23.221 2.055 5.540 1.00 0.00 N ATOM 417 CA THR A 28 21.849 1.560 5.493 1.00 0.00 C ATOM 418 C THR A 28 20.875 2.706 5.243 1.00 0.00 C ATOM 419 O THR A 28 20.847 3.682 5.993 1.00 0.00 O ATOM 420 CB THR A 28 21.456 0.834 6.796 1.00 0.00 C ATOM 421 OG1 THR A 28 22.262 -0.335 6.973 1.00 0.00 O ATOM 422 CG2 THR A 28 19.986 0.441 6.778 1.00 0.00 C ATOM 0 H THR A 28 23.297 3.067 5.646 1.00 0.00 H new ATOM 0 HA THR A 28 21.795 0.845 4.672 1.00 0.00 H new ATOM 0 HB THR A 28 21.624 1.519 7.627 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.000 -0.325 6.328 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.734 -0.069 7.708 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.371 1.336 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.798 -0.225 5.936 1.00 0.00 H new ATOM 430 N LEU A 29 20.079 2.584 4.184 1.00 0.00 N ATOM 431 CA LEU A 29 19.117 3.622 3.838 1.00 0.00 C ATOM 432 C LEU A 29 17.771 3.351 4.503 1.00 0.00 C ATOM 433 O LEU A 29 17.483 2.220 4.894 1.00 0.00 O ATOM 434 CB LEU A 29 18.939 3.711 2.318 1.00 0.00 C ATOM 435 CG LEU A 29 20.168 4.187 1.535 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.282 3.153 1.596 1.00 0.00 C ATOM 437 CD2 LEU A 29 19.799 4.478 0.090 1.00 0.00 C ATOM 0 H LEU A 29 20.082 1.781 3.555 1.00 0.00 H new ATOM 0 HA LEU A 29 19.504 4.574 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.651 2.728 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.111 4.387 2.106 1.00 0.00 H new ATOM 0 HG LEU A 29 20.528 5.107 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.144 3.513 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.570 2.989 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.932 2.215 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.684 4.815 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.412 3.572 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.037 5.256 0.059 1.00 0.00 H new ATOM 449 N LYS A 30 16.947 4.389 4.629 1.00 0.00 N ATOM 450 CA LYS A 30 15.633 4.239 5.246 1.00 0.00 C ATOM 451 C LYS A 30 14.589 3.877 4.197 1.00 0.00 C ATOM 452 O LYS A 30 14.156 2.727 4.109 1.00 0.00 O ATOM 453 CB LYS A 30 15.222 5.522 5.971 1.00 0.00 C ATOM 454 CG LYS A 30 14.507 5.275 7.292 1.00 0.00 C ATOM 455 CD LYS A 30 13.198 4.523 7.098 1.00 0.00 C ATOM 456 CE LYS A 30 12.174 5.362 6.348 1.00 0.00 C ATOM 457 NZ LYS A 30 11.885 6.645 7.047 1.00 0.00 N ATOM 0 H LYS A 30 17.164 5.335 4.315 1.00 0.00 H new ATOM 0 HA LYS A 30 15.694 3.432 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.111 6.125 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.571 6.105 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.158 4.706 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.309 6.229 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.386 3.601 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.794 4.238 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.542 5.571 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.251 4.793 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.862 6.833 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.198 6.579 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.392 7.420 6.574 1.00 0.00 H new ATOM 471 N TYR A 31 14.188 4.871 3.410 1.00 0.00 N ATOM 472 CA TYR A 31 13.211 4.673 2.346 1.00 0.00 C ATOM 473 C TYR A 31 11.812 4.371 2.886 1.00 0.00 C ATOM 474 O TYR A 31 11.649 3.676 3.888 1.00 0.00 O ATOM 475 CB TYR A 31 13.672 3.553 1.407 1.00 0.00 C ATOM 476 CG TYR A 31 14.574 4.031 0.291 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.754 4.711 0.564 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.243 3.803 -1.039 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.578 5.149 -0.456 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.061 4.237 -2.064 1.00 0.00 C ATOM 481 CZ TYR A 31 16.226 4.909 -1.767 1.00 0.00 C ATOM 482 OH TYR A 31 17.044 5.344 -2.786 1.00 0.00 O ATOM 0 H TYR A 31 14.528 5.829 3.491 1.00 0.00 H new ATOM 0 HA TYR A 31 13.144 5.609 1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.198 2.796 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.796 3.070 0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.032 4.901 1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.330 3.277 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.492 5.676 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.789 4.050 -3.092 1.00 0.00 H new ATOM 0 HH TYR A 31 16.653 5.094 -3.649 1.00 0.00 H new ATOM 492 N THR A 32 10.807 4.907 2.193 1.00 0.00 N ATOM 493 CA THR A 32 9.408 4.709 2.568 1.00 0.00 C ATOM 494 C THR A 32 8.628 4.074 1.417 1.00 0.00 C ATOM 495 O THR A 32 9.049 4.145 0.266 1.00 0.00 O ATOM 496 CB THR A 32 8.739 6.037 2.974 1.00 0.00 C ATOM 497 OG1 THR A 32 7.317 5.939 2.834 1.00 0.00 O ATOM 498 CG2 THR A 32 9.262 7.189 2.131 1.00 0.00 C ATOM 0 H THR A 32 10.938 5.486 1.363 1.00 0.00 H new ATOM 0 HA THR A 32 9.393 4.039 3.428 1.00 0.00 H new ATOM 0 HB THR A 32 8.984 6.233 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.903 6.788 3.096 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.774 8.115 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.339 7.283 2.271 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.048 6.997 1.080 1.00 0.00 H new ATOM 506 N CYS A 33 7.484 3.466 1.729 1.00 0.00 N ATOM 507 CA CYS A 33 6.676 2.797 0.710 1.00 0.00 C ATOM 508 C CYS A 33 5.443 3.606 0.307 1.00 0.00 C ATOM 509 O CYS A 33 4.732 4.176 1.135 1.00 0.00 O ATOM 510 CB CYS A 33 6.249 1.414 1.204 1.00 0.00 C ATOM 511 SG CYS A 33 7.633 0.256 1.456 1.00 0.00 S ATOM 0 H CYS A 33 7.098 3.423 2.672 1.00 0.00 H new ATOM 0 HA CYS A 33 7.302 2.700 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.707 1.526 2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.553 0.982 0.485 1.00 0.00 H new ATOM 516 N LEU A 34 5.232 3.623 -1.008 1.00 0.00 N ATOM 517 CA LEU A 34 4.131 4.360 -1.614 1.00 0.00 C ATOM 518 C LEU A 34 2.795 3.949 -0.994 1.00 0.00 C ATOM 519 O LEU A 34 2.683 2.876 -0.403 1.00 0.00 O ATOM 520 CB LEU A 34 4.122 4.138 -3.126 1.00 0.00 C ATOM 521 CG LEU A 34 5.468 4.388 -3.814 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.392 4.024 -5.287 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.897 5.839 -3.643 1.00 0.00 C ATOM 0 H LEU A 34 5.819 3.127 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 34 4.274 5.423 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.810 3.113 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.373 4.793 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 34 6.216 3.752 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.358 4.209 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.135 2.970 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.629 4.632 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.855 5.996 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.147 6.495 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.996 6.066 -2.582 1.00 0.00 H new ATOM 535 N PRO A 35 1.769 4.815 -1.110 1.00 0.00 N ATOM 536 CA PRO A 35 0.437 4.562 -0.558 1.00 0.00 C ATOM 537 C PRO A 35 0.016 3.097 -0.612 1.00 0.00 C ATOM 538 O PRO A 35 0.064 2.387 0.393 1.00 0.00 O ATOM 539 CB PRO A 35 -0.457 5.409 -1.458 1.00 0.00 C ATOM 540 CG PRO A 35 0.387 6.582 -1.833 1.00 0.00 C ATOM 541 CD PRO A 35 1.827 6.122 -1.793 1.00 0.00 C ATOM 0 HA PRO A 35 0.386 4.808 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.774 4.851 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.361 5.722 -0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.125 6.943 -2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.227 7.409 -1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.244 6.029 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.456 6.828 -1.250 1.00 0.00 H new ATOM 549 N GLY A 36 -0.398 2.657 -1.790 1.00 0.00 N ATOM 550 CA GLY A 36 -0.844 1.286 -1.966 1.00 0.00 C ATOM 551 C GLY A 36 0.214 0.262 -1.599 1.00 0.00 C ATOM 552 O GLY A 36 -0.113 -0.883 -1.294 1.00 0.00 O ATOM 0 H GLY A 36 -0.434 3.228 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.731 1.118 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.140 1.137 -3.005 1.00 0.00 H new ATOM 556 N TYR A 37 1.479 0.674 -1.636 1.00 0.00 N ATOM 557 CA TYR A 37 2.570 -0.238 -1.297 1.00 0.00 C ATOM 558 C TYR A 37 2.415 -0.721 0.133 1.00 0.00 C ATOM 559 O TYR A 37 3.027 -0.164 1.045 1.00 0.00 O ATOM 560 CB TYR A 37 3.942 0.439 -1.453 1.00 0.00 C ATOM 561 CG TYR A 37 4.687 0.030 -2.701 1.00 0.00 C ATOM 562 CD1 TYR A 37 5.166 -1.266 -2.860 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.889 0.935 -3.735 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.823 -1.646 -4.014 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.549 0.563 -4.891 1.00 0.00 C ATOM 566 CZ TYR A 37 6.012 -0.727 -5.027 1.00 0.00 C ATOM 567 OH TYR A 37 6.665 -1.104 -6.177 1.00 0.00 O ATOM 0 H TYR A 37 1.772 1.617 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 37 2.521 -1.081 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.804 1.520 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.554 0.203 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.022 -1.987 -2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.524 1.946 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.187 -2.657 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.701 1.280 -5.684 1.00 0.00 H new ATOM 0 HH TYR A 37 6.509 -2.057 -6.344 1.00 0.00 H new ATOM 577 N VAL A 38 1.596 -1.747 0.348 1.00 0.00 N ATOM 578 CA VAL A 38 1.333 -2.324 1.652 1.00 0.00 C ATOM 579 C VAL A 38 2.454 -3.253 2.102 1.00 0.00 C ATOM 580 O VAL A 38 3.109 -3.888 1.280 1.00 0.00 O ATOM 581 CB VAL A 38 0.001 -3.112 1.575 1.00 0.00 C ATOM 582 CG1 VAL A 38 0.080 -4.442 2.303 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.157 -2.274 2.086 1.00 0.00 C ATOM 0 H VAL A 38 1.085 -2.209 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 38 1.269 -1.518 2.383 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.180 -3.336 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.876 -4.959 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.863 -5.055 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.311 -4.268 3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.080 -2.850 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.975 -1.996 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.249 -1.373 1.480 1.00 0.00 H new ATOM 593 N ARG A 39 2.667 -3.332 3.410 1.00 0.00 N ATOM 594 CA ARG A 39 3.711 -4.190 3.952 1.00 0.00 C ATOM 595 C ARG A 39 3.165 -5.088 5.058 1.00 0.00 C ATOM 596 O ARG A 39 2.410 -4.642 5.922 1.00 0.00 O ATOM 597 CB ARG A 39 4.872 -3.349 4.485 1.00 0.00 C ATOM 598 CG ARG A 39 4.502 -2.481 5.677 1.00 0.00 C ATOM 599 CD ARG A 39 5.686 -1.658 6.155 1.00 0.00 C ATOM 600 NE ARG A 39 5.348 -0.838 7.316 1.00 0.00 N ATOM 601 CZ ARG A 39 6.168 0.064 7.846 1.00 0.00 C ATOM 602 NH1 ARG A 39 7.366 0.270 7.315 1.00 0.00 N ATOM 603 NH2 ARG A 39 5.789 0.762 8.908 1.00 0.00 N ATOM 0 H ARG A 39 2.134 -2.816 4.110 1.00 0.00 H new ATOM 0 HA ARG A 39 4.075 -4.825 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.689 -4.012 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.244 -2.711 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.682 -1.817 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.144 -3.112 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.511 -2.323 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.032 -1.015 5.345 1.00 0.00 H new ATOM 0 HE ARG A 39 4.431 -0.965 7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.660 -0.264 6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.993 0.963 7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.868 0.607 9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.418 1.454 9.315 1.00 0.00 H new ATOM 617 N SER A 40 3.552 -6.357 5.015 1.00 0.00 N ATOM 618 CA SER A 40 3.113 -7.328 6.009 1.00 0.00 C ATOM 619 C SER A 40 4.257 -7.693 6.947 1.00 0.00 C ATOM 620 O SER A 40 4.071 -7.798 8.160 1.00 0.00 O ATOM 621 CB SER A 40 2.578 -8.584 5.317 1.00 0.00 C ATOM 622 OG SER A 40 2.273 -9.596 6.261 1.00 0.00 O ATOM 0 H SER A 40 4.171 -6.738 4.300 1.00 0.00 H new ATOM 0 HA SER A 40 2.314 -6.880 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.684 -8.335 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.318 -8.955 4.608 1.00 0.00 H new ATOM 0 HG SER A 40 1.932 -10.387 5.794 1.00 0.00 H new ATOM 628 N HIS A 41 5.443 -7.884 6.374 1.00 0.00 N ATOM 629 CA HIS A 41 6.628 -8.236 7.150 1.00 0.00 C ATOM 630 C HIS A 41 7.847 -8.331 6.239 1.00 0.00 C ATOM 631 O HIS A 41 7.798 -7.909 5.083 1.00 0.00 O ATOM 632 CB HIS A 41 6.410 -9.566 7.874 1.00 0.00 C ATOM 633 CG HIS A 41 7.147 -9.679 9.175 1.00 0.00 C ATOM 634 ND1 HIS A 41 8.172 -10.483 9.548 1.00 0.00 N flip ATOM 635 CD2 HIS A 41 6.846 -8.909 10.279 1.00 0.00 C flip ATOM 636 CE1 HIS A 41 8.467 -10.186 10.856 1.00 0.00 C flip ATOM 637 NE2 HIS A 41 7.653 -9.233 11.273 1.00 0.00 N flip ATOM 0 H HIS A 41 5.608 -7.800 5.371 1.00 0.00 H new ATOM 0 HA HIS A 41 6.803 -7.456 7.891 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.344 -9.697 8.059 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.722 -10.380 7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.071 -8.158 10.324 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.239 -10.655 11.448 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.648 -8.818 12.205 1.00 0.00 H new ATOM 646 N SER A 42 8.940 -8.878 6.767 1.00 0.00 N ATOM 647 CA SER A 42 10.173 -9.037 6.000 1.00 0.00 C ATOM 648 C SER A 42 10.802 -7.688 5.670 1.00 0.00 C ATOM 649 O SER A 42 11.880 -7.628 5.078 1.00 0.00 O ATOM 650 CB SER A 42 9.895 -9.804 4.709 1.00 0.00 C ATOM 651 OG SER A 42 9.327 -11.074 4.980 1.00 0.00 O ATOM 0 H SER A 42 8.996 -9.220 7.726 1.00 0.00 H new ATOM 0 HA SER A 42 10.876 -9.600 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.218 -9.227 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.822 -9.929 4.150 1.00 0.00 H new ATOM 0 HG SER A 42 9.157 -11.543 4.137 1.00 0.00 H new ATOM 657 N THR A 43 10.117 -6.611 6.046 1.00 0.00 N ATOM 658 CA THR A 43 10.604 -5.261 5.796 1.00 0.00 C ATOM 659 C THR A 43 12.098 -5.142 6.088 1.00 0.00 C ATOM 660 O THR A 43 12.563 -5.525 7.161 1.00 0.00 O ATOM 661 CB THR A 43 9.841 -4.237 6.650 1.00 0.00 C ATOM 662 OG1 THR A 43 9.830 -4.647 8.021 1.00 0.00 O ATOM 663 CG2 THR A 43 8.412 -4.074 6.151 1.00 0.00 C ATOM 0 H THR A 43 9.219 -6.650 6.527 1.00 0.00 H new ATOM 0 HA THR A 43 10.434 -5.052 4.740 1.00 0.00 H new ATOM 0 HB THR A 43 10.351 -3.277 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.679 -5.086 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.891 -3.344 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.425 -3.729 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.895 -5.032 6.207 1.00 0.00 H new ATOM 671 N GLN A 44 12.841 -4.604 5.124 1.00 0.00 N ATOM 672 CA GLN A 44 14.283 -4.443 5.272 1.00 0.00 C ATOM 673 C GLN A 44 14.725 -3.014 4.950 1.00 0.00 C ATOM 674 O GLN A 44 13.970 -2.060 5.137 1.00 0.00 O ATOM 675 CB GLN A 44 15.019 -5.436 4.369 1.00 0.00 C ATOM 676 CG GLN A 44 14.969 -6.870 4.873 1.00 0.00 C ATOM 677 CD GLN A 44 15.734 -7.058 6.169 1.00 0.00 C ATOM 678 OE1 GLN A 44 15.178 -6.910 7.258 1.00 0.00 O ATOM 679 NE2 GLN A 44 17.015 -7.388 6.059 1.00 0.00 N ATOM 0 H GLN A 44 12.468 -4.273 4.234 1.00 0.00 H new ATOM 0 HA GLN A 44 14.536 -4.645 6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.586 -5.396 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.061 -5.128 4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.930 -7.163 5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.381 -7.533 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.435 -7.500 5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.579 -7.529 6.897 1.00 0.00 H new ATOM 688 N THR A 45 15.955 -2.888 4.457 1.00 0.00 N ATOM 689 CA THR A 45 16.539 -1.605 4.113 1.00 0.00 C ATOM 690 C THR A 45 17.602 -1.819 3.052 1.00 0.00 C ATOM 691 O THR A 45 17.739 -2.923 2.524 1.00 0.00 O ATOM 692 CB THR A 45 17.166 -0.918 5.342 1.00 0.00 C ATOM 693 OG1 THR A 45 18.025 -1.834 6.032 1.00 0.00 O ATOM 694 CG2 THR A 45 16.089 -0.411 6.292 1.00 0.00 C ATOM 0 H THR A 45 16.574 -3.681 4.286 1.00 0.00 H new ATOM 0 HA THR A 45 15.749 -0.955 3.737 1.00 0.00 H new ATOM 0 HB THR A 45 17.749 -0.066 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.038 -1.614 6.987 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.558 0.069 7.151 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.457 0.310 5.774 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.481 -1.249 6.633 1.00 0.00 H new ATOM 702 N LEU A 46 18.354 -0.782 2.731 1.00 0.00 N ATOM 703 CA LEU A 46 19.387 -0.906 1.719 1.00 0.00 C ATOM 704 C LEU A 46 20.774 -0.785 2.328 1.00 0.00 C ATOM 705 O LEU A 46 21.281 0.313 2.551 1.00 0.00 O ATOM 706 CB LEU A 46 19.184 0.125 0.615 1.00 0.00 C ATOM 707 CG LEU A 46 18.097 -0.250 -0.391 1.00 0.00 C ATOM 708 CD1 LEU A 46 17.939 0.831 -1.437 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.418 -1.580 -1.051 1.00 0.00 C ATOM 0 H LEU A 46 18.271 0.144 3.150 1.00 0.00 H new ATOM 0 HA LEU A 46 19.307 -1.900 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.930 1.083 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.125 0.263 0.083 1.00 0.00 H new ATOM 0 HG LEU A 46 17.154 -0.347 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.160 0.543 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.662 1.768 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.881 0.962 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.633 -1.831 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.372 -1.506 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.479 -2.358 -0.290 1.00 0.00 H new ATOM 721 N THR A 47 21.373 -1.937 2.602 1.00 0.00 N ATOM 722 CA THR A 47 22.708 -1.999 3.175 1.00 0.00 C ATOM 723 C THR A 47 23.684 -2.524 2.141 1.00 0.00 C ATOM 724 O THR A 47 23.355 -3.441 1.387 1.00 0.00 O ATOM 725 CB THR A 47 22.753 -2.932 4.401 1.00 0.00 C ATOM 726 OG1 THR A 47 21.756 -2.548 5.353 1.00 0.00 O ATOM 727 CG2 THR A 47 24.126 -2.903 5.057 1.00 0.00 C ATOM 0 H THR A 47 20.948 -2.849 2.434 1.00 0.00 H new ATOM 0 HA THR A 47 22.980 -0.990 3.487 1.00 0.00 H new ATOM 0 HB THR A 47 22.553 -3.947 4.059 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.071 -1.772 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.131 -3.570 5.919 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.879 -3.231 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.353 -1.888 5.382 1.00 0.00 H new ATOM 735 N CYS A 48 24.881 -1.956 2.092 1.00 0.00 N ATOM 736 CA CYS A 48 25.863 -2.428 1.140 1.00 0.00 C ATOM 737 C CYS A 48 26.333 -3.798 1.600 1.00 0.00 C ATOM 738 O CYS A 48 26.855 -3.959 2.702 1.00 0.00 O ATOM 739 CB CYS A 48 27.028 -1.448 1.012 1.00 0.00 C ATOM 740 SG CYS A 48 28.166 -1.837 -0.351 1.00 0.00 S ATOM 0 H CYS A 48 25.186 -1.186 2.687 1.00 0.00 H new ATOM 0 HA CYS A 48 25.418 -2.503 0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.631 -0.443 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.587 -1.438 1.948 1.00 0.00 H new ATOM 745 N ASN A 49 26.120 -4.784 0.747 1.00 0.00 N ATOM 746 CA ASN A 49 26.551 -6.140 1.035 1.00 0.00 C ATOM 747 C ASN A 49 27.855 -6.427 0.301 1.00 0.00 C ATOM 748 O ASN A 49 28.319 -5.605 -0.490 1.00 0.00 O ATOM 749 CB ASN A 49 25.473 -7.141 0.619 1.00 0.00 C ATOM 750 CG ASN A 49 24.918 -6.838 -0.754 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.913 -5.977 -0.805 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 25.388 -7.368 -1.757 1.00 0.00 N flip ATOM 0 H ASN A 49 25.651 -4.671 -0.152 1.00 0.00 H new ATOM 0 HA ASN A 49 26.716 -6.242 2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.891 -8.148 0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.663 -7.126 1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 49 26.163 -8.026 -1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 49 25.004 -7.150 -2.676 1.00 0.00 H new ATOM 759 N SER A 50 28.449 -7.585 0.560 1.00 0.00 N ATOM 760 CA SER A 50 29.696 -7.952 -0.100 1.00 0.00 C ATOM 761 C SER A 50 29.387 -8.579 -1.458 1.00 0.00 C ATOM 762 O SER A 50 29.648 -9.759 -1.700 1.00 0.00 O ATOM 763 CB SER A 50 30.503 -8.915 0.772 1.00 0.00 C ATOM 764 OG SER A 50 31.699 -9.313 0.125 1.00 0.00 O ATOM 0 H SER A 50 28.092 -8.280 1.216 1.00 0.00 H new ATOM 0 HA SER A 50 30.298 -7.056 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.742 -8.436 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.901 -9.794 1.001 1.00 0.00 H new ATOM 0 HG SER A 50 32.196 -9.927 0.705 1.00 0.00 H new ATOM 770 N ASP A 51 28.818 -7.754 -2.331 1.00 0.00 N ATOM 771 CA ASP A 51 28.432 -8.157 -3.680 1.00 0.00 C ATOM 772 C ASP A 51 28.460 -6.958 -4.616 1.00 0.00 C ATOM 773 O ASP A 51 28.177 -7.071 -5.809 1.00 0.00 O ATOM 774 CB ASP A 51 27.025 -8.744 -3.674 1.00 0.00 C ATOM 775 CG ASP A 51 26.889 -9.933 -2.743 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.592 -9.723 -1.548 1.00 0.00 O ATOM 777 OD2 ASP A 51 27.079 -11.076 -3.210 1.00 0.00 O ATOM 0 H ASP A 51 28.610 -6.778 -2.121 1.00 0.00 H new ATOM 0 HA ASP A 51 29.141 -8.909 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.315 -7.972 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.759 -9.048 -4.686 1.00 0.00 H new ATOM 782 N GLY A 52 28.807 -5.809 -4.051 1.00 0.00 N ATOM 783 CA GLY A 52 28.841 -4.585 -4.827 1.00 0.00 C ATOM 784 C GLY A 52 27.469 -4.169 -5.320 1.00 0.00 C ATOM 785 O GLY A 52 27.335 -3.379 -6.254 1.00 0.00 O ATOM 0 H GLY A 52 29.065 -5.703 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.262 -3.785 -4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.505 -4.719 -5.681 1.00 0.00 H new ATOM 789 N GLU A 53 26.455 -4.723 -4.667 1.00 0.00 N ATOM 790 CA GLU A 53 25.067 -4.410 -4.991 1.00 0.00 C ATOM 791 C GLU A 53 24.258 -4.217 -3.716 1.00 0.00 C ATOM 792 O GLU A 53 24.759 -4.444 -2.616 1.00 0.00 O ATOM 793 CB GLU A 53 24.449 -5.528 -5.832 1.00 0.00 C ATOM 794 CG GLU A 53 24.037 -6.744 -5.016 1.00 0.00 C ATOM 795 CD GLU A 53 23.592 -7.906 -5.881 1.00 0.00 C ATOM 796 OE1 GLU A 53 24.464 -8.667 -6.347 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.369 -8.054 -6.092 1.00 0.00 O ATOM 0 H GLU A 53 26.568 -5.394 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 53 25.049 -3.485 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.576 -5.138 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.165 -5.837 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.875 -7.060 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.226 -6.467 -4.342 1.00 0.00 H new ATOM 804 N TRP A 54 23.009 -3.789 -3.864 1.00 0.00 N ATOM 805 CA TRP A 54 22.137 -3.586 -2.725 1.00 0.00 C ATOM 806 C TRP A 54 21.219 -4.787 -2.542 1.00 0.00 C ATOM 807 O TRP A 54 20.380 -5.098 -3.388 1.00 0.00 O ATOM 808 CB TRP A 54 21.335 -2.306 -2.917 1.00 0.00 C ATOM 809 CG TRP A 54 22.201 -1.106 -3.153 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.416 -0.473 -4.343 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.982 -0.403 -2.177 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.278 0.583 -4.167 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.639 0.648 -2.847 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.185 -0.557 -0.803 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.486 1.538 -2.187 1.00 0.00 C ATOM 816 CZ3 TRP A 54 24.025 0.327 -0.151 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.666 1.362 -0.843 1.00 0.00 C ATOM 0 H TRP A 54 22.582 -3.577 -4.766 1.00 0.00 H new ATOM 0 HA TRP A 54 22.739 -3.485 -1.822 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.658 -2.431 -3.762 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.717 -2.134 -2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.973 -0.760 -5.285 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.597 1.216 -4.900 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.695 -1.352 -0.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.982 2.337 -2.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 24.190 0.217 0.911 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.316 2.035 -0.304 1.00 0.00 H new ATOM 828 N VAL A 55 21.409 -5.445 -1.408 1.00 0.00 N ATOM 829 CA VAL A 55 20.665 -6.640 -1.033 1.00 0.00 C ATOM 830 C VAL A 55 19.507 -6.269 -0.116 1.00 0.00 C ATOM 831 O VAL A 55 19.636 -5.359 0.704 1.00 0.00 O ATOM 832 CB VAL A 55 21.596 -7.640 -0.315 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.866 -8.387 0.786 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.209 -8.612 -1.311 1.00 0.00 C ATOM 0 H VAL A 55 22.096 -5.159 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 55 20.270 -7.104 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 55 22.400 -7.070 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.552 -9.082 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.491 -7.675 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.030 -8.940 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.862 -9.308 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.416 -9.167 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.789 -8.059 -2.050 1.00 0.00 H new ATOM 844 N TYR A 56 18.384 -6.981 -0.239 1.00 0.00 N ATOM 845 CA TYR A 56 17.241 -6.719 0.634 1.00 0.00 C ATOM 846 C TYR A 56 16.019 -7.550 0.257 1.00 0.00 C ATOM 847 O TYR A 56 16.027 -8.262 -0.747 1.00 0.00 O ATOM 848 CB TYR A 56 16.861 -5.239 0.591 1.00 0.00 C ATOM 849 CG TYR A 56 16.428 -4.785 -0.786 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.365 -4.526 -1.777 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.084 -4.628 -1.098 1.00 0.00 C ATOM 852 CE1 TYR A 56 16.977 -4.124 -3.040 1.00 0.00 C ATOM 853 CE2 TYR A 56 14.687 -4.225 -2.359 1.00 0.00 C ATOM 854 CZ TYR A 56 15.637 -3.975 -3.326 1.00 0.00 C ATOM 855 OH TYR A 56 15.247 -3.575 -4.584 1.00 0.00 O ATOM 0 H TYR A 56 18.244 -7.728 -0.920 1.00 0.00 H new ATOM 0 HA TYR A 56 17.550 -7.001 1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.054 -5.055 1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.712 -4.640 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.416 -4.641 -1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.337 -4.824 -0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.719 -3.927 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.638 -4.107 -2.586 1.00 0.00 H new ATOM 0 HH TYR A 56 14.269 -3.519 -4.621 1.00 0.00 H new ATOM 865 N ASN A 57 14.973 -7.459 1.068 1.00 0.00 N ATOM 866 CA ASN A 57 13.744 -8.201 0.813 1.00 0.00 C ATOM 867 C ASN A 57 12.620 -7.253 0.415 1.00 0.00 C ATOM 868 O ASN A 57 12.809 -6.037 0.373 1.00 0.00 O ATOM 869 CB ASN A 57 13.344 -9.007 2.050 1.00 0.00 C ATOM 870 CG ASN A 57 14.334 -10.112 2.364 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.310 -9.902 3.083 1.00 0.00 O ATOM 872 ND2 ASN A 57 14.086 -11.299 1.822 1.00 0.00 N ATOM 0 H ASN A 57 14.950 -6.880 1.907 1.00 0.00 H new ATOM 0 HA ASN A 57 13.923 -8.891 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.266 -8.338 2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.356 -9.441 1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.717 -12.081 1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.264 -11.428 1.232 1.00 0.00 H new ATOM 879 N THR A 58 11.449 -7.809 0.124 1.00 0.00 N ATOM 880 CA THR A 58 10.304 -7.000 -0.270 1.00 0.00 C ATOM 881 C THR A 58 9.535 -6.521 0.951 1.00 0.00 C ATOM 882 O THR A 58 8.647 -7.213 1.450 1.00 0.00 O ATOM 883 CB THR A 58 9.345 -7.777 -1.190 1.00 0.00 C ATOM 884 OG1 THR A 58 10.081 -8.408 -2.245 1.00 0.00 O ATOM 885 CG2 THR A 58 8.298 -6.846 -1.784 1.00 0.00 C ATOM 0 H THR A 58 11.269 -8.813 0.154 1.00 0.00 H new ATOM 0 HA THR A 58 10.698 -6.143 -0.817 1.00 0.00 H new ATOM 0 HB THR A 58 8.840 -8.538 -0.595 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.464 -8.902 -2.825 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.630 -7.415 -2.431 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.721 -6.387 -0.981 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.791 -6.068 -2.366 1.00 0.00 H new ATOM 893 N PHE A 59 9.887 -5.337 1.434 1.00 0.00 N ATOM 894 CA PHE A 59 9.227 -4.768 2.602 1.00 0.00 C ATOM 895 C PHE A 59 7.739 -4.579 2.336 1.00 0.00 C ATOM 896 O PHE A 59 6.896 -5.134 3.040 1.00 0.00 O ATOM 897 CB PHE A 59 9.871 -3.432 3.000 1.00 0.00 C ATOM 898 CG PHE A 59 10.838 -2.881 1.988 1.00 0.00 C ATOM 899 CD1 PHE A 59 12.166 -3.283 1.985 1.00 0.00 C ATOM 900 CD2 PHE A 59 10.421 -1.959 1.041 1.00 0.00 C ATOM 901 CE1 PHE A 59 13.056 -2.775 1.058 1.00 0.00 C ATOM 902 CE2 PHE A 59 11.308 -1.449 0.111 1.00 0.00 C ATOM 903 CZ PHE A 59 12.627 -1.858 0.119 1.00 0.00 C ATOM 0 H PHE A 59 10.623 -4.753 1.037 1.00 0.00 H new ATOM 0 HA PHE A 59 9.348 -5.466 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.082 -2.698 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.392 -3.562 3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.508 -4.001 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 59 9.391 -1.635 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.087 -3.095 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.969 -0.731 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.321 -1.462 -0.607 1.00 0.00 H new ATOM 913 N CYS A 60 7.423 -3.793 1.314 1.00 0.00 N ATOM 914 CA CYS A 60 6.037 -3.538 0.941 1.00 0.00 C ATOM 915 C CYS A 60 5.662 -4.350 -0.294 1.00 0.00 C ATOM 916 O CYS A 60 6.186 -4.120 -1.382 1.00 0.00 O ATOM 917 CB CYS A 60 5.827 -2.047 0.681 1.00 0.00 C ATOM 918 SG CYS A 60 7.309 -1.193 0.072 1.00 0.00 S ATOM 0 H CYS A 60 8.110 -3.320 0.727 1.00 0.00 H new ATOM 0 HA CYS A 60 5.392 -3.843 1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.024 -1.924 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.498 -1.570 1.604 1.00 0.00 H new ATOM 923 N ILE A 61 4.751 -5.302 -0.115 1.00 0.00 N ATOM 924 CA ILE A 61 4.318 -6.160 -1.211 1.00 0.00 C ATOM 925 C ILE A 61 3.315 -5.451 -2.116 1.00 0.00 C ATOM 926 O ILE A 61 3.086 -5.876 -3.249 1.00 0.00 O ATOM 927 CB ILE A 61 3.705 -7.477 -0.686 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.222 -7.303 -0.348 1.00 0.00 C ATOM 929 CG2 ILE A 61 4.464 -7.949 0.545 1.00 0.00 C ATOM 930 CD1 ILE A 61 1.498 -8.617 -0.152 1.00 0.00 C ATOM 0 H ILE A 61 4.299 -5.498 0.778 1.00 0.00 H new ATOM 0 HA ILE A 61 5.207 -6.396 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 61 3.788 -8.226 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.130 -6.706 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.737 -6.744 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.025 -8.878 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.509 -8.118 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.402 -7.189 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.452 -8.424 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.560 -9.207 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.960 -9.168 0.667 1.00 0.00 H new ATOM 942 N TYR A 62 2.728 -4.372 -1.610 1.00 0.00 N ATOM 943 CA TYR A 62 1.746 -3.597 -2.370 1.00 0.00 C ATOM 944 C TYR A 62 0.527 -4.434 -2.707 1.00 0.00 C ATOM 945 O TYR A 62 0.621 -5.412 -3.449 1.00 0.00 O ATOM 946 CB TYR A 62 2.358 -3.075 -3.673 1.00 0.00 C ATOM 947 CG TYR A 62 1.689 -1.824 -4.202 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.308 -1.687 -4.210 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.449 -0.771 -4.676 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.288 -0.531 -4.678 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.869 0.388 -5.141 1.00 0.00 C ATOM 952 CZ TYR A 62 0.497 0.506 -5.140 1.00 0.00 C ATOM 953 OH TYR A 62 -0.091 1.658 -5.608 1.00 0.00 O ATOM 0 H TYR A 62 2.914 -4.011 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 62 1.444 -2.758 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.416 -2.869 -3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.298 -3.856 -4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.309 -2.495 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.525 -0.860 -4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.364 -0.440 -4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.485 1.198 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 62 0.604 2.287 -5.894 1.00 0.00 H new ATOM 963 N LYS A 63 -0.623 -4.054 -2.164 1.00 0.00 N ATOM 964 CA LYS A 63 -1.861 -4.747 -2.459 1.00 0.00 C ATOM 965 C LYS A 63 -3.058 -3.900 -2.053 1.00 0.00 C ATOM 966 O LYS A 63 -3.219 -3.551 -0.883 1.00 0.00 O ATOM 967 CB LYS A 63 -1.892 -6.094 -1.739 1.00 0.00 C ATOM 968 CG LYS A 63 -1.554 -6.005 -0.264 1.00 0.00 C ATOM 969 CD LYS A 63 -1.866 -7.306 0.451 1.00 0.00 C ATOM 970 CE LYS A 63 -1.045 -7.458 1.713 1.00 0.00 C ATOM 971 NZ LYS A 63 -1.323 -8.741 2.414 1.00 0.00 N ATOM 0 H LYS A 63 -0.719 -3.270 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.915 -4.922 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.884 -6.532 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.189 -6.771 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.497 -5.766 -0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.118 -5.192 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.927 -7.340 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.668 -8.145 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.015 -7.405 1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.257 -6.626 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.436 -9.129 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.989 -8.573 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.739 -9.419 1.744 1.00 0.00 H new ATOM 985 N ARG A 64 -3.895 -3.571 -3.028 1.00 0.00 N ATOM 986 CA ARG A 64 -5.076 -2.759 -2.781 1.00 0.00 C ATOM 987 C ARG A 64 -6.338 -3.479 -3.243 1.00 0.00 C ATOM 988 O ARG A 64 -6.269 -4.571 -3.805 1.00 0.00 O ATOM 989 CB ARG A 64 -4.940 -1.413 -3.492 1.00 0.00 C ATOM 990 CG ARG A 64 -4.399 -1.524 -4.906 1.00 0.00 C ATOM 991 CD ARG A 64 -3.496 -0.350 -5.242 1.00 0.00 C ATOM 992 NE ARG A 64 -4.236 0.907 -5.323 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.726 2.088 -4.985 1.00 0.00 C ATOM 994 NH1 ARG A 64 -2.485 2.171 -4.525 1.00 0.00 N ATOM 995 NH2 ARG A 64 -4.458 3.187 -5.105 1.00 0.00 N ATOM 0 H ARG A 64 -3.776 -3.856 -4.000 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.160 -2.588 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.915 -0.927 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.281 -0.769 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.844 -2.456 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.228 -1.563 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.717 -0.264 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.996 -0.538 -6.192 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.199 0.877 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.919 1.328 -4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.096 3.078 -4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.414 3.127 -5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.066 4.092 -4.845 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.488 -2.857 -3.012 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.762 -3.440 -3.398 1.00 0.00 C ATOM 1011 C CYS A 65 -9.406 -2.589 -4.474 1.00 0.00 C ATOM 1012 O CYS A 65 -9.508 -1.371 -4.327 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.696 -3.542 -2.191 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.881 -4.082 -0.655 1.00 0.00 S ATOM 0 H CYS A 65 -7.562 -1.947 -2.558 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.584 -4.444 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.158 -2.569 -2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.500 -4.240 -2.426 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.833 -3.218 -5.558 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.455 -2.475 -6.640 1.00 0.00 C ATOM 1021 C ARG A 66 -11.621 -1.650 -6.114 1.00 0.00 C ATOM 1022 O ARG A 66 -12.410 -2.116 -5.298 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.916 -3.408 -7.762 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.650 -2.687 -8.884 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.864 -1.483 -9.383 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.539 -0.799 -10.481 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.069 0.300 -11.065 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.920 0.829 -10.665 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -11.745 0.871 -12.054 1.00 0.00 N ATOM 0 H ARG A 66 -9.762 -4.224 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.709 -1.799 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.049 -3.922 -8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.570 -4.173 -7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.823 -3.377 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.629 -2.362 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.713 -0.784 -8.560 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.877 -1.807 -9.712 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.420 -1.185 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.394 0.393 -9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.562 1.672 -11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.627 0.467 -12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.382 1.714 -12.500 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.726 -0.430 -6.611 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.788 0.467 -6.177 1.00 0.00 C ATOM 1045 C HIS A 67 -14.157 -0.107 -6.539 1.00 0.00 C ATOM 1046 O HIS A 67 -14.419 -0.392 -7.707 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.615 1.844 -6.817 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.506 2.892 -6.228 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.617 3.392 -6.875 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.444 3.537 -5.041 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.199 4.300 -6.109 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.507 4.405 -4.990 1.00 0.00 N ATOM 0 H HIS A 67 -11.095 -0.038 -7.310 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.727 0.570 -5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.577 2.158 -6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.815 1.767 -7.886 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.696 3.396 -4.275 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.089 4.860 -6.357 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -14.726 5.029 -4.214 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.053 -0.286 -5.545 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.392 -0.823 -5.796 1.00 0.00 C ATOM 1063 C PRO A 68 -17.129 0.006 -6.837 1.00 0.00 C ATOM 1064 O PRO A 68 -18.108 -0.454 -7.423 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.089 -0.772 -4.432 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.248 0.128 -3.587 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.844 0.025 -4.123 1.00 0.00 C ATOM 0 HA PRO A 68 -16.365 -1.835 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.105 -0.387 -4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.164 -1.766 -3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.608 1.156 -3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.287 -0.173 -2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.292 0.956 -3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.276 -0.757 -3.618 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.654 1.222 -7.077 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.276 2.070 -8.071 1.00 0.00 C ATOM 1077 C GLY A 69 -18.333 2.991 -7.499 1.00 0.00 C ATOM 1078 O GLY A 69 -18.351 3.300 -6.308 1.00 0.00 O ATOM 0 H GLY A 69 -15.851 1.634 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.507 2.670 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.728 1.444 -8.841 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.214 3.414 -8.394 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.294 4.318 -8.035 1.00 0.00 C ATOM 1084 C GLU A 70 -21.443 3.566 -7.381 1.00 0.00 C ATOM 1085 O GLU A 70 -21.856 2.499 -7.834 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.787 5.083 -9.264 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.933 6.040 -8.974 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.518 7.201 -8.093 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.503 7.031 -6.856 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.207 8.279 -8.641 1.00 0.00 O ATOM 0 H GLU A 70 -19.201 3.144 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.904 5.035 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.955 5.645 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.107 4.367 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.326 6.426 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.743 5.494 -8.491 1.00 0.00 H new ATOM 1097 N LEU A 71 -21.947 4.152 -6.303 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.065 3.597 -5.560 1.00 0.00 C ATOM 1099 C LEU A 71 -24.312 4.417 -5.882 1.00 0.00 C ATOM 1100 O LEU A 71 -24.522 5.492 -5.321 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.743 3.619 -4.058 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.921 3.382 -3.114 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.538 2.011 -3.341 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.485 3.538 -1.664 1.00 0.00 C ATOM 0 H LEU A 71 -21.590 5.027 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.246 2.560 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.986 2.861 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.299 4.585 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 71 -24.681 4.133 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.374 1.870 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -24.895 1.938 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.788 1.240 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.338 3.366 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -22.702 2.814 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.103 4.546 -1.505 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.131 3.905 -6.801 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.343 4.609 -7.216 1.00 0.00 C ATOM 1118 C ARG A 72 -27.251 4.873 -6.023 1.00 0.00 C ATOM 1119 O ARG A 72 -27.661 3.956 -5.310 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.078 3.846 -8.319 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.332 4.544 -8.815 1.00 0.00 C ATOM 1122 CD ARG A 72 -28.926 3.830 -10.019 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.253 4.338 -10.355 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.907 4.014 -11.467 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.345 3.209 -12.359 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -32.120 4.500 -11.690 1.00 0.00 N ATOM 0 H ARG A 72 -24.978 3.012 -7.269 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.047 5.573 -7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.400 3.697 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.347 2.857 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.069 4.583 -8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.095 5.574 -9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.263 3.951 -10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.988 2.761 -9.813 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.704 4.977 -9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.410 2.837 -12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.848 2.962 -13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -32.553 5.123 -11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.620 4.251 -12.543 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.548 6.158 -5.828 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.337 6.615 -4.699 1.00 0.00 C ATOM 1142 C ASN A 73 -27.547 6.300 -3.447 1.00 0.00 C ATOM 1143 O ASN A 73 -28.079 5.758 -2.482 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.716 5.948 -4.656 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.562 6.283 -5.868 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.532 5.411 -6.867 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.241 7.309 -5.902 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.245 6.906 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.522 7.686 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.591 4.867 -4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.240 6.262 -3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.234 7.952 -5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.811 7.516 -6.722 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.272 6.672 -3.456 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.430 6.383 -2.324 1.00 0.00 C ATOM 1156 C GLY A 74 -24.077 7.062 -2.397 1.00 0.00 C ATOM 1157 O GLY A 74 -23.764 7.741 -3.375 1.00 0.00 O ATOM 0 H GLY A 74 -25.815 7.164 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.938 6.697 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.285 5.305 -2.253 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.279 6.876 -1.352 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.951 7.476 -1.289 1.00 0.00 C ATOM 1163 C GLN A 75 -20.917 6.478 -0.771 1.00 0.00 C ATOM 1164 O GLN A 75 -21.169 5.738 0.178 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.978 8.713 -0.389 1.00 0.00 C ATOM 1166 CG GLN A 75 -20.623 9.385 -0.234 1.00 0.00 C ATOM 1167 CD GLN A 75 -20.082 9.930 -1.542 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -20.977 10.356 -2.426 1.00 0.00 O flip ATOM 1169 NE2 GLN A 75 -18.869 9.973 -1.754 1.00 0.00 N flip ATOM 0 H GLN A 75 -23.528 6.315 -0.537 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.664 7.769 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.686 9.434 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.347 8.427 0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -20.707 10.199 0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -19.912 8.668 0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -18.216 9.635 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.518 10.347 -2.636 1.00 0.00 H new ATOM 1178 N VAL A 76 -19.751 6.473 -1.409 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.672 5.575 -1.009 1.00 0.00 C ATOM 1180 C VAL A 76 -17.569 6.355 -0.304 1.00 0.00 C ATOM 1181 O VAL A 76 -16.835 7.113 -0.938 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.069 4.823 -2.209 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.005 3.842 -1.735 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.156 4.105 -2.993 1.00 0.00 C ATOM 0 H VAL A 76 -19.529 7.077 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.105 4.841 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.598 5.548 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.586 3.317 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.213 4.385 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.453 3.121 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.709 3.580 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.659 3.388 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.880 4.832 -3.360 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.451 6.173 1.007 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.429 6.873 1.776 1.00 0.00 C ATOM 1196 C GLU A 77 -15.041 6.302 1.502 1.00 0.00 C ATOM 1197 O GLU A 77 -14.674 5.254 2.034 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.731 6.795 3.273 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.663 7.448 4.135 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.542 8.938 3.883 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -16.389 9.698 4.397 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -14.600 9.344 3.171 1.00 0.00 O ATOM 0 H GLU A 77 -18.045 5.552 1.556 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.442 7.917 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.690 7.275 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.833 5.749 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.896 7.279 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.702 6.971 3.941 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.275 6.999 0.671 1.00 0.00 N ATOM 1210 CA ILE A 78 -12.921 6.572 0.332 1.00 0.00 C ATOM 1211 C ILE A 78 -11.900 7.569 0.871 1.00 0.00 C ATOM 1212 O ILE A 78 -12.106 8.781 0.793 1.00 0.00 O ATOM 1213 CB ILE A 78 -12.734 6.424 -1.192 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -13.769 5.454 -1.773 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.321 5.950 -1.507 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.596 4.020 -1.312 1.00 0.00 C ATOM 0 H ILE A 78 -14.569 7.865 0.218 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.764 5.597 0.793 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.885 7.399 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -14.767 5.796 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.710 5.485 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.203 5.850 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.601 6.676 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.147 4.985 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.366 3.396 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.612 3.658 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.685 3.973 -0.227 1.00 0.00 H new ATOM 1228 N LYS A 79 -10.801 7.060 1.417 1.00 0.00 N ATOM 1229 CA LYS A 79 -9.768 7.919 1.985 1.00 0.00 C ATOM 1230 C LYS A 79 -8.482 7.154 2.235 1.00 0.00 C ATOM 1231 O LYS A 79 -7.680 7.530 3.090 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.253 8.525 3.300 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.521 7.496 4.395 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.639 6.535 4.016 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.165 5.781 5.225 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.218 4.797 4.849 1.00 0.00 N ATOM 0 H LYS A 79 -10.603 6.061 1.478 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.566 8.710 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.508 9.236 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.167 9.089 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.610 6.932 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.784 8.011 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.454 7.090 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.273 5.825 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.342 5.262 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.571 6.490 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.047 4.923 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.496 4.948 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.847 3.832 4.962 1.00 0.00 H new ATOM 1250 N THR A 80 -8.283 6.091 1.479 1.00 0.00 N ATOM 1251 CA THR A 80 -7.094 5.275 1.629 1.00 0.00 C ATOM 1252 C THR A 80 -6.692 4.669 0.301 1.00 0.00 C ATOM 1253 O THR A 80 -5.871 3.751 0.254 1.00 0.00 O ATOM 1254 CB THR A 80 -7.312 4.147 2.656 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.354 3.269 2.210 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.672 4.717 4.021 1.00 0.00 C ATOM 0 H THR A 80 -8.928 5.773 0.756 1.00 0.00 H new ATOM 0 HA THR A 80 -6.298 5.927 1.988 1.00 0.00 H new ATOM 0 HB THR A 80 -6.381 3.587 2.748 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.911 3.008 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.821 3.901 4.728 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.864 5.359 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.590 5.300 3.941 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.276 5.182 -0.785 1.00 0.00 N ATOM 1265 CA ASP A 81 -6.961 4.663 -2.115 1.00 0.00 C ATOM 1266 C ASP A 81 -7.336 3.193 -2.204 1.00 0.00 C ATOM 1267 O ASP A 81 -6.995 2.503 -3.164 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.466 4.797 -2.369 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.005 6.241 -2.412 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -4.659 6.785 -1.342 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -4.990 6.827 -3.514 1.00 0.00 O ATOM 0 H ASP A 81 -7.957 5.942 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.524 5.231 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.920 4.269 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.218 4.313 -3.313 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.040 2.736 -1.181 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.447 1.346 -1.078 1.00 0.00 C ATOM 1278 C LEU A 82 -7.209 0.480 -0.902 1.00 0.00 C ATOM 1279 O LEU A 82 -6.976 -0.450 -1.670 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.236 0.910 -2.313 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.648 1.494 -2.436 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.324 1.569 -1.073 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.599 2.865 -3.087 1.00 0.00 C ATOM 0 H LEU A 82 -8.344 3.318 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.102 1.230 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.669 1.187 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.311 -0.177 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.239 0.832 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.325 1.987 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.394 0.569 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.738 2.206 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.609 3.266 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.990 3.535 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.162 2.780 -4.082 1.00 0.00 H new ATOM 1295 N SER A 83 -6.422 0.790 0.118 1.00 0.00 N ATOM 1296 CA SER A 83 -5.218 0.024 0.409 1.00 0.00 C ATOM 1297 C SER A 83 -5.506 -1.008 1.493 1.00 0.00 C ATOM 1298 O SER A 83 -6.046 -0.669 2.547 1.00 0.00 O ATOM 1299 CB SER A 83 -4.080 0.952 0.838 1.00 0.00 C ATOM 1300 OG SER A 83 -3.202 0.303 1.740 1.00 0.00 O ATOM 0 H SER A 83 -6.595 1.566 0.758 1.00 0.00 H new ATOM 0 HA SER A 83 -4.907 -0.497 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.525 1.281 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.493 1.845 1.307 1.00 0.00 H new ATOM 0 HG SER A 83 -2.483 0.918 1.997 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.159 -2.265 1.213 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.387 -3.369 2.148 1.00 0.00 C ATOM 1308 C PHE A 84 -5.366 -2.899 3.599 1.00 0.00 C ATOM 1309 O PHE A 84 -4.486 -2.142 4.010 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.343 -4.470 1.943 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.468 -5.600 2.926 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.655 -6.305 3.043 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.402 -5.951 3.737 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.776 -7.341 3.948 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.516 -6.986 4.645 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.705 -7.682 4.750 1.00 0.00 C ATOM 0 H PHE A 84 -4.715 -2.546 0.339 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.379 -3.769 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.437 -4.866 0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.347 -4.036 2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.496 -6.041 2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.471 -5.410 3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.706 -7.883 4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.677 -7.251 5.272 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.797 -8.492 5.459 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.344 -3.366 4.370 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.441 -2.988 5.766 1.00 0.00 C ATOM 1328 C GLY A 85 -7.258 -1.728 5.975 1.00 0.00 C ATOM 1329 O GLY A 85 -6.903 -0.883 6.797 1.00 0.00 O ATOM 0 H GLY A 85 -7.074 -4.003 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.891 -3.806 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.439 -2.837 6.168 1.00 0.00 H new ATOM 1333 N SER A 86 -8.358 -1.598 5.234 1.00 0.00 N ATOM 1334 CA SER A 86 -9.218 -0.426 5.359 1.00 0.00 C ATOM 1335 C SER A 86 -10.691 -0.790 5.243 1.00 0.00 C ATOM 1336 O SER A 86 -11.063 -1.756 4.579 1.00 0.00 O ATOM 1337 CB SER A 86 -8.865 0.625 4.307 1.00 0.00 C ATOM 1338 OG SER A 86 -7.493 0.974 4.371 1.00 0.00 O ATOM 0 H SER A 86 -8.671 -2.284 4.547 1.00 0.00 H new ATOM 0 HA SER A 86 -9.046 -0.012 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.100 0.242 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.477 1.514 4.458 1.00 0.00 H new ATOM 0 HG SER A 86 -6.986 0.425 3.737 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.515 0.007 5.904 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.955 -0.195 5.902 1.00 0.00 C ATOM 1346 C GLN A 87 -13.658 1.054 5.376 1.00 0.00 C ATOM 1347 O GLN A 87 -13.343 2.171 5.786 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.433 -0.547 7.317 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.928 -0.370 7.542 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.326 1.087 7.658 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -14.390 1.917 8.105 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -16.454 1.464 7.344 1.00 0.00 N flip ATOM 0 H GLN A 87 -11.207 0.808 6.455 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.204 -1.025 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.167 -1.582 7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.895 0.074 8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.474 -0.828 6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.221 -0.897 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.141 0.790 7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.702 2.450 7.422 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.600 0.864 4.455 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.342 1.978 3.880 1.00 0.00 C ATOM 1363 C ILE A 88 -16.846 1.788 4.057 1.00 0.00 C ATOM 1364 O ILE A 88 -17.406 0.765 3.662 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.023 2.155 2.381 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.402 0.900 1.592 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.546 2.474 2.194 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.396 1.103 0.092 1.00 0.00 C ATOM 0 H ILE A 88 -14.866 -0.052 4.092 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.030 2.875 4.414 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.614 2.987 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.708 0.099 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.394 0.572 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.332 2.597 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.303 3.396 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.944 1.658 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.674 0.172 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.111 1.882 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.399 1.401 -0.231 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.492 2.776 4.665 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.927 2.726 4.893 1.00 0.00 C ATOM 1382 C GLU A 89 -19.685 3.362 3.730 1.00 0.00 C ATOM 1383 O GLU A 89 -19.188 4.284 3.082 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.274 3.444 6.196 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.318 2.528 7.408 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.741 3.250 8.673 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -18.874 3.881 9.314 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -20.938 3.184 9.021 1.00 0.00 O ATOM 0 H GLU A 89 -17.041 3.623 5.009 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.226 1.680 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.540 4.231 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.243 3.931 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -20.010 1.708 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.334 2.085 7.559 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.888 2.862 3.471 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.723 3.385 2.395 1.00 0.00 C ATOM 1397 C PHE A 90 -22.813 4.288 2.965 1.00 0.00 C ATOM 1398 O PHE A 90 -22.886 4.493 4.176 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.345 2.237 1.598 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.339 1.226 1.122 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.661 1.405 -0.077 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -21.072 0.092 1.874 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.739 0.473 -0.512 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -20.152 -0.842 1.442 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.484 -0.652 0.247 1.00 0.00 C ATOM 0 H PHE A 90 -21.308 2.093 3.993 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.098 3.974 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -23.088 1.735 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.873 2.647 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.857 2.282 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.590 -0.062 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.218 0.624 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.954 -1.721 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.764 -1.382 -0.092 1.00 0.00 H new ATOM 1415 N SER A 91 -23.658 4.818 2.091 1.00 0.00 N ATOM 1416 CA SER A 91 -24.729 5.703 2.534 1.00 0.00 C ATOM 1417 C SER A 91 -25.854 5.781 1.512 1.00 0.00 C ATOM 1418 O SER A 91 -25.665 6.279 0.408 1.00 0.00 O ATOM 1419 CB SER A 91 -24.187 7.104 2.809 1.00 0.00 C ATOM 1420 OG SER A 91 -23.259 7.094 3.880 1.00 0.00 O ATOM 0 H SER A 91 -23.625 4.654 1.085 1.00 0.00 H new ATOM 0 HA SER A 91 -25.134 5.284 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.706 7.493 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.012 7.776 3.046 1.00 0.00 H new ATOM 0 HG SER A 91 -23.301 6.230 4.341 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.029 5.305 1.903 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.179 5.336 1.011 1.00 0.00 C ATOM 1428 C CYS A 92 -28.890 6.681 1.138 1.00 0.00 C ATOM 1429 O CYS A 92 -29.350 7.051 2.218 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.135 4.183 1.312 1.00 0.00 C ATOM 1431 SG CYS A 92 -30.223 3.761 -0.075 1.00 0.00 S ATOM 0 H CYS A 92 -27.209 4.898 2.821 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.832 5.215 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.554 3.303 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.746 4.445 2.176 1.00 0.00 H new ATOM 1436 N SER A 93 -28.968 7.409 0.027 1.00 0.00 N ATOM 1437 CA SER A 93 -29.599 8.731 0.014 1.00 0.00 C ATOM 1438 C SER A 93 -30.988 8.720 0.647 1.00 0.00 C ATOM 1439 O SER A 93 -31.563 7.666 0.911 1.00 0.00 O ATOM 1440 CB SER A 93 -29.701 9.262 -1.416 1.00 0.00 C ATOM 1441 OG SER A 93 -28.432 9.664 -1.904 1.00 0.00 O ATOM 0 H SER A 93 -28.603 7.108 -0.877 1.00 0.00 H new ATOM 0 HA SER A 93 -28.963 9.386 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.116 8.490 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.389 10.107 -1.445 1.00 0.00 H new ATOM 0 HG SER A 93 -28.525 9.998 -2.821 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.513 9.921 0.879 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.833 10.102 1.473 1.00 0.00 C ATOM 1449 C GLU A 94 -33.875 9.224 0.782 1.00 0.00 C ATOM 1450 O GLU A 94 -33.739 8.882 -0.392 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.234 11.578 1.374 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.727 11.824 1.492 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.088 13.288 1.346 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.831 14.060 2.293 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.629 13.663 0.284 1.00 0.00 O ATOM 0 H GLU A 94 -31.035 10.795 0.660 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.789 9.803 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.722 12.136 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.886 11.975 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.248 11.247 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -35.076 11.462 2.459 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.918 8.868 1.530 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.980 8.040 0.988 1.00 0.00 C ATOM 1464 C GLY A 95 -35.599 6.578 0.896 1.00 0.00 C ATOM 1465 O GLY A 95 -36.443 5.701 1.069 1.00 0.00 O ATOM 0 H GLY A 95 -35.045 9.140 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.867 8.140 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.247 8.404 -0.004 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.329 6.309 0.621 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.858 4.934 0.495 1.00 0.00 C ATOM 1471 C PHE A 96 -32.885 4.607 1.616 1.00 0.00 C ATOM 1472 O PHE A 96 -31.913 5.329 1.835 1.00 0.00 O ATOM 1473 CB PHE A 96 -33.169 4.717 -0.853 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.355 5.846 -1.819 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.576 6.053 -2.437 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.304 6.700 -2.107 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.749 7.094 -3.326 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -32.470 7.744 -2.997 1.00 0.00 C ATOM 1479 CZ PHE A 96 -33.694 7.942 -3.607 1.00 0.00 C ATOM 0 H PHE A 96 -33.610 7.019 0.482 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.723 4.274 0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -32.102 4.568 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -33.552 3.801 -1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.403 5.392 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.346 6.549 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.707 7.246 -3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -31.644 8.405 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 96 -33.826 8.758 -4.302 1.00 0.00 H new ATOM 1489 N PHE A 97 -33.147 3.522 2.332 1.00 0.00 N ATOM 1490 CA PHE A 97 -32.276 3.121 3.424 1.00 0.00 C ATOM 1491 C PHE A 97 -31.160 2.219 2.916 1.00 0.00 C ATOM 1492 O PHE A 97 -31.223 1.675 1.814 1.00 0.00 O ATOM 1493 CB PHE A 97 -33.075 2.439 4.538 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.590 1.069 4.199 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.696 0.911 3.380 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.982 -0.062 4.723 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.188 -0.347 3.089 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.468 -1.323 4.433 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.574 -1.466 3.616 1.00 0.00 C ATOM 0 H PHE A 97 -33.948 2.910 2.177 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.820 4.017 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.445 2.365 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.921 3.075 4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -35.180 1.782 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.120 0.044 5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -36.052 -0.455 2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.984 -2.196 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.957 -2.450 3.390 1.00 0.00 H new ATOM 1509 N LEU A 98 -30.144 2.072 3.754 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.991 1.253 3.415 1.00 0.00 C ATOM 1511 C LEU A 98 -29.260 -0.211 3.742 1.00 0.00 C ATOM 1512 O LEU A 98 -29.844 -0.525 4.779 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.758 1.750 4.171 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.420 1.187 3.685 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -26.488 0.800 2.219 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.311 2.197 3.916 1.00 0.00 C ATOM 0 H LEU A 98 -30.095 2.510 4.674 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.806 1.335 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.723 2.837 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.875 1.503 5.226 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.202 0.286 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -25.523 0.404 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -27.257 0.040 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.733 1.678 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.365 1.785 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.533 3.113 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -25.238 2.420 4.980 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.831 -1.108 2.856 1.00 0.00 N ATOM 1529 CA ILE A 99 -29.020 -2.543 3.037 1.00 0.00 C ATOM 1530 C ILE A 99 -28.011 -3.325 2.219 1.00 0.00 C ATOM 1531 O ILE A 99 -27.942 -3.211 0.997 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.416 -2.991 2.580 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.223 -1.793 2.097 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -31.134 -3.718 3.704 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.386 -2.161 1.201 1.00 0.00 C ATOM 0 H ILE A 99 -28.344 -0.860 1.995 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.894 -2.738 4.102 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.308 -3.685 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.601 -1.249 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.562 -1.115 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.122 -4.029 3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.558 -4.596 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -31.238 -3.052 4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.912 -1.256 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.014 -2.678 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.070 -2.814 1.743 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.247 -4.138 2.928 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.223 -4.957 2.314 1.00 0.00 C ATOM 1549 C GLY A 100 -25.164 -5.354 3.321 1.00 0.00 C ATOM 1550 O GLY A 100 -24.708 -6.498 3.340 1.00 0.00 O ATOM 0 H GLY A 100 -27.320 -4.247 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.676 -5.852 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.761 -4.411 1.492 1.00 0.00 H new ATOM 1554 N SER A 101 -24.788 -4.394 4.166 1.00 0.00 N ATOM 1555 CA SER A 101 -23.787 -4.608 5.209 1.00 0.00 C ATOM 1556 C SER A 101 -23.429 -3.289 5.871 1.00 0.00 C ATOM 1557 O SER A 101 -23.145 -3.231 7.065 1.00 0.00 O ATOM 1558 CB SER A 101 -22.527 -5.262 4.636 1.00 0.00 C ATOM 1559 OG SER A 101 -21.571 -5.501 5.654 1.00 0.00 O ATOM 0 H SER A 101 -25.169 -3.448 4.146 1.00 0.00 H new ATOM 0 HA SER A 101 -24.214 -5.279 5.954 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.789 -6.202 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.095 -4.618 3.870 1.00 0.00 H new ATOM 0 HG SER A 101 -20.776 -5.920 5.264 1.00 0.00 H new ATOM 1565 N THR A 102 -23.426 -2.251 5.055 1.00 0.00 N ATOM 1566 CA THR A 102 -23.111 -0.892 5.498 1.00 0.00 C ATOM 1567 C THR A 102 -21.645 -0.777 5.879 1.00 0.00 C ATOM 1568 O THR A 102 -21.222 0.212 6.476 1.00 0.00 O ATOM 1569 CB THR A 102 -23.993 -0.432 6.681 1.00 0.00 C ATOM 1570 OG1 THR A 102 -23.558 -1.045 7.899 1.00 0.00 O ATOM 1571 CG2 THR A 102 -25.455 -0.772 6.429 1.00 0.00 C ATOM 0 H THR A 102 -23.642 -2.320 4.061 1.00 0.00 H new ATOM 0 HA THR A 102 -23.323 -0.235 4.654 1.00 0.00 H new ATOM 0 HB THR A 102 -23.895 0.650 6.772 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.791 -1.997 7.888 1.00 0.00 H new ATOM 0 HG21 THR A 102 -26.057 -0.439 7.275 1.00 0.00 H new ATOM 0 HG22 THR A 102 -25.794 -0.271 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 102 -25.562 -1.850 6.309 1.00 0.00 H new ATOM 1579 N THR A 103 -20.875 -1.794 5.526 1.00 0.00 N ATOM 1580 CA THR A 103 -19.452 -1.813 5.803 1.00 0.00 C ATOM 1581 C THR A 103 -18.730 -2.585 4.713 1.00 0.00 C ATOM 1582 O THR A 103 -19.283 -3.520 4.131 1.00 0.00 O ATOM 1583 CB THR A 103 -19.141 -2.430 7.171 1.00 0.00 C ATOM 1584 OG1 THR A 103 -20.052 -3.498 7.456 1.00 0.00 O ATOM 1585 CG2 THR A 103 -19.217 -1.373 8.261 1.00 0.00 C ATOM 0 H THR A 103 -21.218 -2.624 5.042 1.00 0.00 H new ATOM 0 HA THR A 103 -19.103 -0.780 5.822 1.00 0.00 H new ATOM 0 HB THR A 103 -18.128 -2.831 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 103 -20.286 -3.959 6.624 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.993 -1.828 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.492 -0.585 8.055 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.220 -0.946 8.285 1.00 0.00 H new ATOM 1593 N SER A 104 -17.496 -2.191 4.435 1.00 0.00 N ATOM 1594 CA SER A 104 -16.675 -2.881 3.457 1.00 0.00 C ATOM 1595 C SER A 104 -15.221 -2.862 3.921 1.00 0.00 C ATOM 1596 O SER A 104 -14.577 -1.816 3.924 1.00 0.00 O ATOM 1597 CB SER A 104 -16.806 -2.217 2.083 1.00 0.00 C ATOM 1598 OG SER A 104 -16.298 -3.055 1.060 1.00 0.00 O ATOM 0 H SER A 104 -17.041 -1.392 4.877 1.00 0.00 H new ATOM 0 HA SER A 104 -17.013 -3.913 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.853 -1.990 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.268 -1.269 2.081 1.00 0.00 H new ATOM 0 HG SER A 104 -15.399 -3.360 1.303 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.701 -4.022 4.305 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.324 -4.126 4.786 1.00 0.00 C ATOM 1606 C ARG A 105 -12.425 -4.715 3.709 1.00 0.00 C ATOM 1607 O ARG A 105 -12.875 -5.496 2.872 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.269 -4.977 6.055 1.00 0.00 C ATOM 1609 CG ARG A 105 -14.212 -4.489 7.144 1.00 0.00 C ATOM 1610 CD ARG A 105 -14.079 -5.303 8.420 1.00 0.00 C ATOM 1611 NE ARG A 105 -15.067 -4.903 9.419 1.00 0.00 N ATOM 1612 CZ ARG A 105 -15.355 -5.612 10.507 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -14.711 -6.744 10.758 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -16.286 -5.183 11.348 1.00 0.00 N ATOM 0 H ARG A 105 -15.211 -4.906 4.293 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.963 -3.125 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.517 -6.008 5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.249 -4.978 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -14.005 -3.441 7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -15.240 -4.544 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.200 -6.362 8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.076 -5.178 8.829 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.567 -4.026 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.991 -7.075 10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.936 -7.284 11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.780 -4.311 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.508 -5.725 12.183 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.147 -4.353 3.745 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.202 -4.827 2.747 1.00 0.00 C ATOM 1630 C CYS A 106 -9.412 -6.022 3.252 1.00 0.00 C ATOM 1631 O CYS A 106 -8.641 -5.919 4.206 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.249 -3.707 2.332 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.699 -2.887 0.770 1.00 0.00 S ATOM 0 H CYS A 106 -10.746 -3.736 4.451 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.777 -5.144 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.216 -2.960 3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.243 -4.117 2.238 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.613 -7.155 2.598 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.942 -8.384 2.975 1.00 0.00 C ATOM 1640 C GLU A 107 -8.092 -8.896 1.820 1.00 0.00 C ATOM 1641 O GLU A 107 -8.030 -8.266 0.767 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.987 -9.420 3.395 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.414 -10.625 4.121 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.548 -10.238 5.304 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -9.092 -10.094 6.418 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -7.322 -10.082 5.116 1.00 0.00 O ATOM 0 H GLU A 107 -10.240 -7.247 1.799 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.277 -8.196 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.722 -8.937 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.518 -9.764 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.231 -11.259 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.824 -11.218 3.422 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.416 -10.019 2.028 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.573 -10.581 0.983 1.00 0.00 C ATOM 1655 C VAL A 108 -6.785 -12.072 0.767 1.00 0.00 C ATOM 1656 O VAL A 108 -6.791 -12.873 1.702 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.084 -10.302 1.250 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.197 -11.176 0.374 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.790 -8.838 1.000 1.00 0.00 C ATOM 0 H VAL A 108 -7.434 -10.551 2.898 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.878 -10.076 0.066 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.866 -10.543 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.150 -10.958 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.398 -12.226 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.407 -10.971 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.735 -8.641 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.025 -8.591 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.398 -8.226 1.666 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.957 -12.410 -0.503 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.147 -13.786 -0.928 1.00 0.00 C ATOM 1671 C GLN A 109 -6.012 -14.185 -1.864 1.00 0.00 C ATOM 1672 O GLN A 109 -5.998 -13.797 -3.032 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.504 -13.930 -1.623 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.674 -13.491 -0.752 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.925 -13.175 -1.549 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -11.146 -13.728 -2.627 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.756 -12.280 -1.018 1.00 0.00 N ATOM 0 H GLN A 109 -6.968 -11.735 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.135 -14.447 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.500 -13.340 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.647 -14.970 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.898 -14.278 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.383 -12.610 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.534 -11.846 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.615 -12.028 -1.507 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.057 -14.951 -1.340 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.900 -15.367 -2.121 1.00 0.00 C ATOM 1688 C ASP A 110 -3.091 -14.135 -2.518 1.00 0.00 C ATOM 1689 O ASP A 110 -3.133 -13.119 -1.827 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.346 -16.142 -3.361 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.865 -17.526 -3.025 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -6.060 -17.644 -2.678 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.078 -18.492 -3.109 1.00 0.00 O ATOM 0 H ASP A 110 -5.064 -15.294 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.274 -16.026 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.126 -15.580 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.507 -16.230 -4.052 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.359 -14.217 -3.623 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.568 -13.083 -4.085 1.00 0.00 C ATOM 1700 C ARG A 111 -2.458 -12.046 -4.757 1.00 0.00 C ATOM 1701 O ARG A 111 -2.005 -11.274 -5.602 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.469 -13.544 -5.047 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.997 -14.279 -6.268 1.00 0.00 C ATOM 1704 CD ARG A 111 0.089 -14.473 -7.314 1.00 0.00 C ATOM 1705 NE ARG A 111 1.232 -15.215 -6.790 1.00 0.00 N ATOM 1706 CZ ARG A 111 2.321 -15.494 -7.502 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.418 -15.089 -8.761 1.00 0.00 N ATOM 1708 NH2 ARG A 111 3.315 -16.178 -6.952 1.00 0.00 N ATOM 0 H ARG A 111 -2.297 -15.048 -4.211 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.095 -12.624 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.102 -12.676 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.221 -14.196 -4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.392 -15.250 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.825 -13.719 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.325 -15.004 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.423 -13.500 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 111 1.194 -15.538 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.656 -14.561 -9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.255 -15.305 -9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.245 -16.490 -5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.150 -16.392 -7.497 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.728 -12.034 -4.366 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.668 -11.089 -4.923 1.00 0.00 C ATOM 1724 C GLY A 112 -5.692 -10.644 -3.906 1.00 0.00 C ATOM 1725 O GLY A 112 -6.763 -11.239 -3.787 1.00 0.00 O ATOM 0 H GLY A 112 -4.121 -12.667 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.129 -10.220 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.176 -11.542 -5.775 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.338 -9.603 -3.163 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.212 -9.033 -2.141 1.00 0.00 C ATOM 1731 C VAL A 113 -7.674 -9.107 -2.559 1.00 0.00 C ATOM 1732 O VAL A 113 -8.012 -8.965 -3.735 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.825 -7.569 -1.833 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.817 -7.076 -2.848 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -7.042 -6.660 -1.793 1.00 0.00 C ATOM 0 H VAL A 113 -4.439 -9.129 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.082 -9.627 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.373 -7.542 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.550 -6.043 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.924 -7.699 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.250 -7.130 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.727 -5.640 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.546 -6.684 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.727 -7.003 -1.018 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.532 -9.321 -1.575 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.936 -9.434 -1.889 1.00 0.00 C ATOM 1747 C GLY A 114 -10.802 -8.430 -1.155 1.00 0.00 C ATOM 1748 O GLY A 114 -10.484 -8.053 -0.027 1.00 0.00 O ATOM 0 H GLY A 114 -8.289 -9.416 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.072 -9.303 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.275 -10.441 -1.645 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.894 -7.990 -1.768 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.798 -7.064 -1.102 1.00 0.00 C ATOM 1754 C TRP A 115 -13.713 -7.847 -0.170 1.00 0.00 C ATOM 1755 O TRP A 115 -13.488 -9.032 0.075 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.642 -6.261 -2.105 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.336 -4.793 -2.113 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.051 -4.024 -3.203 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.286 -3.913 -0.981 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.829 -2.722 -2.819 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.966 -2.630 -1.462 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.481 -4.083 0.391 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.838 -1.527 -0.623 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.352 -2.986 1.225 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.034 -1.723 0.715 1.00 0.00 C ATOM 0 H TRP A 115 -12.172 -8.256 -2.713 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.198 -6.351 -0.537 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.480 -6.662 -3.105 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.698 -6.402 -1.872 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.006 -4.385 -4.220 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.599 -1.950 -3.445 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.728 -5.054 0.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.593 -0.551 -1.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.499 -3.107 2.288 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.942 -0.887 1.392 1.00 0.00 H new ATOM 1776 N SER A 116 -14.740 -7.192 0.348 1.00 0.00 N ATOM 1777 CA SER A 116 -15.681 -7.853 1.240 1.00 0.00 C ATOM 1778 C SER A 116 -17.101 -7.732 0.698 1.00 0.00 C ATOM 1779 O SER A 116 -17.838 -8.716 0.623 1.00 0.00 O ATOM 1780 CB SER A 116 -15.605 -7.249 2.642 1.00 0.00 C ATOM 1781 OG SER A 116 -15.948 -5.874 2.623 1.00 0.00 O ATOM 0 H SER A 116 -14.943 -6.209 0.168 1.00 0.00 H new ATOM 0 HA SER A 116 -15.414 -8.908 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.278 -7.786 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.598 -7.370 3.040 1.00 0.00 H new ATOM 0 HG SER A 116 -15.240 -5.366 2.174 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.474 -6.514 0.319 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.802 -6.247 -0.222 1.00 0.00 C ATOM 1789 C HIS A 117 -18.849 -4.869 -0.874 1.00 0.00 C ATOM 1790 O HIS A 117 -18.455 -3.875 -0.264 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.852 -6.326 0.883 1.00 0.00 C ATOM 1792 CG HIS A 117 -21.260 -6.230 0.380 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.996 -7.089 -0.365 1.00 0.00 N flip ATOM 1794 CD2 HIS A 117 -22.079 -5.150 0.636 1.00 0.00 C flip ATOM 1795 CE1 HIS A 117 -23.231 -6.516 -0.543 1.00 0.00 C flip ATOM 1796 NE2 HIS A 117 -23.256 -5.347 0.071 1.00 0.00 N flip ATOM 0 H HIS A 117 -16.872 -5.693 0.377 1.00 0.00 H new ATOM 0 HA HIS A 117 -19.019 -7.003 -0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.731 -7.266 1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.675 -5.523 1.599 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -21.690 -7.993 -0.726 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.801 -4.278 1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -24.050 -6.951 -1.096 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.336 -4.788 -2.122 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.429 -3.526 -2.845 1.00 0.00 C ATOM 1807 C PRO A 118 -20.713 -2.767 -2.523 1.00 0.00 C ATOM 1808 O PRO A 118 -21.310 -2.959 -1.464 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.431 -3.978 -4.301 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.128 -5.297 -4.277 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.832 -5.918 -2.932 1.00 0.00 C ATOM 0 HA PRO A 118 -18.623 -2.838 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.953 -3.264 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.417 -4.071 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.201 -5.170 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.774 -5.937 -5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.724 -6.364 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.087 -6.710 -3.012 1.00 0.00 H new ATOM 1819 N LEU A 119 -21.124 -1.899 -3.443 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.334 -1.114 -3.283 1.00 0.00 C ATOM 1821 C LEU A 119 -23.510 -1.991 -2.854 1.00 0.00 C ATOM 1822 O LEU A 119 -23.897 -2.915 -3.569 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.646 -0.412 -4.597 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.457 0.304 -5.250 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.486 0.828 -4.195 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.748 -0.618 -6.227 1.00 0.00 C ATOM 0 H LEU A 119 -20.626 -1.724 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 119 -22.175 -0.374 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.038 -1.147 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.438 0.316 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.841 1.160 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.653 1.331 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.002 1.533 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -20.109 -0.005 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.908 -0.092 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.382 -1.498 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.445 -0.927 -7.006 1.00 0.00 H new ATOM 1838 N PRO A 120 -24.083 -1.707 -1.672 1.00 0.00 N ATOM 1839 CA PRO A 120 -25.217 -2.468 -1.125 1.00 0.00 C ATOM 1840 C PRO A 120 -26.465 -2.393 -2.009 1.00 0.00 C ATOM 1841 O PRO A 120 -26.387 -2.569 -3.224 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.474 -1.799 0.234 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.217 -1.067 0.553 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.665 -0.626 -0.767 1.00 0.00 C ATOM 0 HA PRO A 120 -24.992 -3.532 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.324 -1.118 0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -25.704 -2.539 1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.414 -0.213 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.511 -1.710 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -24.071 0.338 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.581 -0.520 -0.737 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.616 -2.138 -1.389 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.877 -2.051 -2.123 1.00 0.00 C ATOM 1854 C GLN A 121 -29.678 -0.833 -1.679 1.00 0.00 C ATOM 1855 O GLN A 121 -30.049 -0.720 -0.510 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.706 -3.317 -1.900 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.560 -3.703 -3.097 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.423 -4.920 -2.830 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.001 -6.055 -3.048 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -32.643 -4.687 -2.359 1.00 0.00 N ATOM 0 H GLN A 121 -27.701 -1.988 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.646 -1.952 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.036 -4.143 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.353 -3.170 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -31.198 -2.862 -3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.913 -3.902 -3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -32.951 -3.729 -2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -33.272 -5.466 -2.163 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.946 0.078 -2.610 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.703 1.278 -2.286 1.00 0.00 C ATOM 1871 C CYS A 122 -32.127 1.222 -2.831 1.00 0.00 C ATOM 1872 O CYS A 122 -32.348 1.311 -4.038 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.986 2.512 -2.820 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.936 3.324 -1.581 1.00 0.00 S ATOM 0 H CYS A 122 -29.653 0.008 -3.584 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.770 1.338 -1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.373 2.226 -3.675 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.726 3.225 -3.183 1.00 0.00 H new ATOM 1879 N GLU A 123 -33.085 1.078 -1.923 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.492 1.017 -2.301 1.00 0.00 C ATOM 1881 C GLU A 123 -35.312 1.961 -1.428 1.00 0.00 C ATOM 1882 O GLU A 123 -35.015 2.148 -0.248 1.00 0.00 O ATOM 1883 CB GLU A 123 -35.022 -0.413 -2.180 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.478 -0.562 -2.596 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.716 -0.182 -4.044 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.401 -1.000 -4.933 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -37.219 0.935 -4.290 1.00 0.00 O ATOM 0 H GLU A 123 -32.914 1.001 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.584 1.330 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.408 -1.072 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.912 -0.746 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.792 -1.594 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -37.100 0.062 -1.954 1.00 0.00 H new ATOM 1894 N ILE A 124 -36.345 2.551 -2.020 1.00 0.00 N ATOM 1895 CA ILE A 124 -37.195 3.490 -1.300 1.00 0.00 C ATOM 1896 C ILE A 124 -37.870 2.801 -0.113 1.00 0.00 C ATOM 1897 O ILE A 124 -38.106 1.594 -0.142 1.00 0.00 O ATOM 1898 CB ILE A 124 -38.267 4.102 -2.228 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.886 5.345 -1.586 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -39.342 3.077 -2.561 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -38.018 6.579 -1.696 1.00 0.00 C ATOM 0 H ILE A 124 -36.612 2.396 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.559 4.295 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.784 4.400 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.849 5.545 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -39.081 5.141 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -40.086 3.530 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.888 2.224 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.823 2.742 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -38.520 7.421 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -37.064 6.398 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.843 6.809 -2.747 1.00 0.00 H new ATOM 1913 N LEU A 125 -38.171 3.570 0.930 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.807 3.021 2.126 1.00 0.00 C ATOM 1915 C LEU A 125 -40.209 2.505 1.816 1.00 0.00 C ATOM 1916 O LEU A 125 -40.813 1.799 2.625 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.867 4.076 3.236 1.00 0.00 C ATOM 1918 CG LEU A 125 -37.506 4.559 3.751 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -37.688 5.618 4.828 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.686 3.393 4.288 1.00 0.00 C ATOM 0 H LEU A 125 -37.986 4.572 0.972 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.202 2.182 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -39.425 4.937 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -39.430 3.667 4.074 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.965 5.002 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.711 5.949 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -38.231 6.468 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -38.252 5.197 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.725 3.760 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -37.223 2.918 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.522 2.666 3.492 1.00 0.00 H new