USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 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 51 THR OG1 : rot 5:sc= -0.203 USER MOD Set 1.2: A 97 MET CE :methyl -170:sc= -0.155 (180deg=-0.0074) USER MOD Single : A 3 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-2.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.45) USER MOD Single : A 23 SER OG : rot 49:sc= 0.173 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 31 SER OG : rot -9:sc= -0.0438 USER MOD Single : A 32 THR OG1 : rot 115:sc= -0.0564 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.0575 (180deg=-0.218) USER MOD Single : A 38 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-5.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 44 THR OG1 : rot -29:sc= 0.0044 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.369 K(o=0.37,f=-4.4!) USER MOD Single : A 58 MET CE :methyl -133:sc= -6.26 (180deg=-11!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.027) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= 0.86 (180deg=0.737) USER MOD Single : A 75 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.3!) USER MOD Single : A 78 ASN : amide:sc= -0.382 K(o=-0.38,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -8.63! C(o=-8.6!,f=-7.3!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 73:sc= 1.33 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 93 ASN : amide:sc= -1.85 K(o=-1.8,f=-5.1!) USER MOD Single : A 95 THR OG1 : rot 92:sc= 0.127 USER MOD Single : A 99 ASN : amide:sc= -0.644 X(o=-0.64,f=-0.72) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 172:sc= -3.2! (180deg=-3.92!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -4.45! K(o=-4.5!,f=-1.5) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 93:sc= 1.26 USER MOD Single : A 111 TYR OH : rot 110:sc= -2.87 USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= -0.963 (180deg=-2.62!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.821 -13.488 -7.077 1.00 0.00 N ATOM 29 CA HIS A 3 -2.325 -12.285 -7.740 1.00 0.00 C ATOM 30 C HIS A 3 -3.459 -11.296 -8.005 1.00 0.00 C ATOM 31 O HIS A 3 -3.342 -10.426 -8.868 1.00 0.00 O ATOM 32 CB HIS A 3 -1.636 -12.655 -9.054 1.00 0.00 C ATOM 33 CG HIS A 3 -0.293 -13.286 -8.863 1.00 0.00 C ATOM 34 ND1 HIS A 3 0.130 -14.386 -9.579 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.723 -12.970 -8.027 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.349 -14.720 -9.190 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.732 -13.875 -8.251 1.00 0.00 N ATOM 0 HA HIS A 3 -1.603 -11.807 -7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.275 -13.340 -9.611 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.524 -11.758 -9.663 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.738 -12.157 -7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.932 -15.544 -9.575 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.631 -13.891 -7.770 1.00 0.00 H new ATOM 46 N SER A 4 -4.554 -11.430 -7.258 1.00 0.00 N ATOM 47 CA SER A 4 -5.697 -10.537 -7.421 1.00 0.00 C ATOM 48 C SER A 4 -6.532 -10.472 -6.148 1.00 0.00 C ATOM 49 O SER A 4 -6.486 -11.373 -5.310 1.00 0.00 O ATOM 50 CB SER A 4 -6.568 -10.980 -8.599 1.00 0.00 C ATOM 51 OG SER A 4 -6.711 -12.389 -8.628 1.00 0.00 O ATOM 0 H SER A 4 -4.672 -12.144 -6.539 1.00 0.00 H new ATOM 0 HA SER A 4 -5.309 -9.539 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.550 -10.513 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.123 -10.638 -9.533 1.00 0.00 H new ATOM 0 HG SER A 4 -7.273 -12.645 -9.389 1.00 0.00 H new ATOM 57 N GLY A 5 -7.289 -9.389 -6.011 1.00 0.00 N ATOM 58 CA GLY A 5 -8.123 -9.196 -4.843 1.00 0.00 C ATOM 59 C GLY A 5 -8.717 -7.808 -4.822 1.00 0.00 C ATOM 60 O GLY A 5 -8.043 -6.846 -5.172 1.00 0.00 O ATOM 0 H GLY A 5 -7.338 -8.635 -6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.922 -9.937 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.533 -9.356 -3.941 1.00 0.00 H new ATOM 64 N ALA A 6 -9.980 -7.697 -4.442 1.00 0.00 N ATOM 65 CA ALA A 6 -10.647 -6.403 -4.420 1.00 0.00 C ATOM 66 C ALA A 6 -10.351 -5.616 -3.147 1.00 0.00 C ATOM 67 O ALA A 6 -10.215 -6.183 -2.063 1.00 0.00 O ATOM 68 CB ALA A 6 -12.139 -6.590 -4.621 1.00 0.00 C ATOM 0 H ALA A 6 -10.561 -8.481 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.250 -5.809 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.633 -5.619 -4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.319 -7.072 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.538 -7.214 -3.822 1.00 0.00 H new ATOM 74 N ALA A 7 -10.243 -4.296 -3.301 1.00 0.00 N ATOM 75 CA ALA A 7 -9.950 -3.400 -2.186 1.00 0.00 C ATOM 76 C ALA A 7 -10.508 -2.000 -2.445 1.00 0.00 C ATOM 77 O ALA A 7 -10.976 -1.704 -3.544 1.00 0.00 O ATOM 78 CB ALA A 7 -8.450 -3.339 -1.949 1.00 0.00 C ATOM 0 H ALA A 7 -10.356 -3.822 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.435 -3.793 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.240 -2.668 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.078 -4.336 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.955 -2.968 -2.846 1.00 0.00 H new ATOM 84 N ILE A 8 -10.464 -1.142 -1.425 1.00 0.00 N ATOM 85 CA ILE A 8 -10.975 0.225 -1.551 1.00 0.00 C ATOM 86 C ILE A 8 -9.846 1.235 -1.740 1.00 0.00 C ATOM 87 O ILE A 8 -8.928 1.311 -0.926 1.00 0.00 O ATOM 88 CB ILE A 8 -11.789 0.653 -0.304 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.966 -0.299 -0.016 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.296 2.082 -0.470 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.198 -1.369 -1.062 1.00 0.00 C ATOM 0 H ILE A 8 -10.082 -1.367 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.620 0.220 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.116 0.603 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.794 -0.784 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.876 0.293 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.866 2.371 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.449 2.757 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.936 2.141 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.047 -1.987 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.406 -0.899 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.308 -1.992 -1.148 1.00 0.00 H new ATOM 103 N PHE A 9 -9.937 2.030 -2.802 1.00 0.00 N ATOM 104 CA PHE A 9 -8.934 3.056 -3.068 1.00 0.00 C ATOM 105 C PHE A 9 -9.578 4.431 -3.219 1.00 0.00 C ATOM 106 O PHE A 9 -10.246 4.711 -4.214 1.00 0.00 O ATOM 107 CB PHE A 9 -8.126 2.729 -4.324 1.00 0.00 C ATOM 108 CG PHE A 9 -6.927 3.620 -4.502 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.082 4.971 -4.766 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.646 3.105 -4.404 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.982 5.792 -4.928 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.541 3.920 -4.566 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.709 5.265 -4.827 1.00 0.00 C ATOM 0 H PHE A 9 -10.690 1.984 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.260 3.074 -2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.796 1.691 -4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.771 2.819 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.075 5.388 -4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.508 2.054 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.117 6.844 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.547 3.505 -4.488 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.847 5.904 -4.952 1.00 0.00 H new ATOM 123 N GLU A 10 -9.353 5.286 -2.227 1.00 0.00 N ATOM 124 CA GLU A 10 -9.882 6.651 -2.230 1.00 0.00 C ATOM 125 C GLU A 10 -11.402 6.672 -2.106 1.00 0.00 C ATOM 126 O GLU A 10 -12.086 7.371 -2.855 1.00 0.00 O ATOM 127 CB GLU A 10 -9.449 7.392 -3.498 1.00 0.00 C ATOM 128 CG GLU A 10 -8.056 7.993 -3.405 1.00 0.00 C ATOM 129 CD GLU A 10 -7.705 8.841 -4.612 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.636 9.286 -5.316 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.499 9.060 -4.853 1.00 0.00 O ATOM 0 H GLU A 10 -8.802 5.057 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.470 7.160 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.483 6.702 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.165 8.186 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.987 8.603 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.324 7.191 -3.304 1.00 0.00 H new ATOM 138 N LYS A 11 -11.927 5.914 -1.147 1.00 0.00 N ATOM 139 CA LYS A 11 -13.369 5.856 -0.909 1.00 0.00 C ATOM 140 C LYS A 11 -14.102 5.063 -1.992 1.00 0.00 C ATOM 141 O LYS A 11 -15.304 4.823 -1.878 1.00 0.00 O ATOM 142 CB LYS A 11 -13.955 7.267 -0.816 1.00 0.00 C ATOM 143 CG LYS A 11 -13.120 8.220 0.027 1.00 0.00 C ATOM 144 CD LYS A 11 -12.802 9.501 -0.727 1.00 0.00 C ATOM 145 CE LYS A 11 -11.919 10.427 0.095 1.00 0.00 C ATOM 146 NZ LYS A 11 -11.293 11.488 -0.742 1.00 0.00 N ATOM 0 H LYS A 11 -11.375 5.329 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.514 5.338 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.055 7.677 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.959 7.207 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.657 8.461 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.192 7.730 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.303 9.258 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.729 10.013 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.513 10.890 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.139 9.844 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.700 12.097 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.705 11.048 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.037 12.061 -1.189 1.00 0.00 H new ATOM 160 N VAL A 12 -13.387 4.648 -3.036 1.00 0.00 N ATOM 161 CA VAL A 12 -13.998 3.882 -4.108 1.00 0.00 C ATOM 162 C VAL A 12 -13.700 2.409 -3.941 1.00 0.00 C ATOM 163 O VAL A 12 -12.650 2.026 -3.427 1.00 0.00 O ATOM 164 CB VAL A 12 -13.518 4.355 -5.495 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.794 3.306 -6.570 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.198 5.658 -5.845 1.00 0.00 C ATOM 0 H VAL A 12 -12.391 4.830 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.074 4.044 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.439 4.505 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.443 3.673 -7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.271 2.383 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.865 3.113 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.859 5.993 -6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.278 5.511 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.948 6.411 -5.098 1.00 0.00 H new ATOM 176 N SER A 13 -14.631 1.587 -4.381 1.00 0.00 N ATOM 177 CA SER A 13 -14.464 0.149 -4.281 1.00 0.00 C ATOM 178 C SER A 13 -14.273 -0.473 -5.654 1.00 0.00 C ATOM 179 O SER A 13 -15.186 -0.476 -6.481 1.00 0.00 O ATOM 180 CB SER A 13 -15.660 -0.489 -3.580 1.00 0.00 C ATOM 181 OG SER A 13 -16.208 0.383 -2.607 1.00 0.00 O ATOM 0 H SER A 13 -15.507 1.886 -4.809 1.00 0.00 H new ATOM 0 HA SER A 13 -13.570 -0.040 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.423 -0.743 -4.316 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.352 -1.421 -3.105 1.00 0.00 H new ATOM 0 HG SER A 13 -16.974 -0.049 -2.174 1.00 0.00 H new ATOM 187 N GLY A 14 -13.082 -1.000 -5.885 1.00 0.00 N ATOM 188 CA GLY A 14 -12.782 -1.625 -7.155 1.00 0.00 C ATOM 189 C GLY A 14 -12.132 -2.979 -6.980 1.00 0.00 C ATOM 190 O GLY A 14 -12.585 -3.792 -6.175 1.00 0.00 O ATOM 0 H GLY A 14 -12.315 -1.006 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.701 -1.736 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.121 -0.977 -7.731 1.00 0.00 H new ATOM 194 N ILE A 15 -11.067 -3.216 -7.731 1.00 0.00 N ATOM 195 CA ILE A 15 -10.349 -4.475 -7.655 1.00 0.00 C ATOM 196 C ILE A 15 -8.851 -4.254 -7.632 1.00 0.00 C ATOM 197 O ILE A 15 -8.317 -3.502 -8.440 1.00 0.00 O ATOM 198 CB ILE A 15 -10.655 -5.393 -8.855 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.160 -5.436 -9.144 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.103 -6.794 -8.601 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.006 -5.831 -7.954 1.00 0.00 C ATOM 0 H ILE A 15 -10.682 -2.550 -8.401 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.684 -4.948 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.163 -4.985 -9.738 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.480 -4.455 -9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.343 -6.140 -9.956 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.325 -7.433 -9.455 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.024 -6.740 -8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.566 -7.211 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.057 -5.838 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.716 -6.826 -7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.855 -5.115 -7.146 1.00 0.00 H new ATOM 213 N ILE A 16 -8.170 -4.969 -6.752 1.00 0.00 N ATOM 214 CA ILE A 16 -6.727 -4.897 -6.691 1.00 0.00 C ATOM 215 C ILE A 16 -6.213 -6.121 -7.409 1.00 0.00 C ATOM 216 O ILE A 16 -6.795 -7.200 -7.289 1.00 0.00 O ATOM 217 CB ILE A 16 -6.172 -4.867 -5.239 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.701 -3.459 -4.871 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.024 -5.858 -5.070 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.033 -3.383 -3.512 1.00 0.00 C ATOM 0 H ILE A 16 -8.595 -5.602 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.395 -3.966 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.981 -5.157 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.003 -3.107 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.556 -2.783 -4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.655 -5.816 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.378 -6.866 -5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.218 -5.601 -5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.724 -2.356 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.735 -3.704 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.159 -4.034 -3.499 1.00 0.00 H new ATOM 232 N ALA A 17 -5.157 -5.970 -8.170 1.00 0.00 N ATOM 233 CA ALA A 17 -4.640 -7.100 -8.905 1.00 0.00 C ATOM 234 C ALA A 17 -3.141 -7.002 -9.097 1.00 0.00 C ATOM 235 O ALA A 17 -2.629 -6.068 -9.714 1.00 0.00 O ATOM 236 CB ALA A 17 -5.388 -7.240 -10.219 1.00 0.00 C ATOM 0 H ALA A 17 -4.647 -5.096 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.807 -8.007 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.996 -8.094 -10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.449 -7.393 -10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.257 -6.334 -10.810 1.00 0.00 H new ATOM 242 N ILE A 18 -2.450 -7.975 -8.527 1.00 0.00 N ATOM 243 CA ILE A 18 -1.002 -8.036 -8.580 1.00 0.00 C ATOM 244 C ILE A 18 -0.512 -8.715 -9.853 1.00 0.00 C ATOM 245 O ILE A 18 -1.110 -9.678 -10.330 1.00 0.00 O ATOM 246 CB ILE A 18 -0.451 -8.787 -7.353 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.954 -8.130 -6.063 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.067 -8.824 -7.384 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.480 -9.119 -5.048 1.00 0.00 C ATOM 0 H ILE A 18 -2.879 -8.745 -8.014 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.634 -7.010 -8.577 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.812 -9.815 -7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.141 -7.559 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.744 -7.420 -6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.436 -9.359 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.400 -9.334 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.456 -7.806 -7.378 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.819 -8.584 -4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.314 -9.673 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.687 -9.814 -4.772 1.00 0.00 H new ATOM 261 N ASN A 19 0.590 -8.204 -10.390 1.00 0.00 N ATOM 262 CA ASN A 19 1.179 -8.754 -11.602 1.00 0.00 C ATOM 263 C ASN A 19 2.611 -9.203 -11.340 1.00 0.00 C ATOM 264 O ASN A 19 3.547 -8.415 -11.442 1.00 0.00 O ATOM 265 CB ASN A 19 1.151 -7.717 -12.726 1.00 0.00 C ATOM 266 CG ASN A 19 0.836 -8.335 -14.075 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.284 -8.224 -14.574 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.824 -8.991 -14.670 1.00 0.00 N ATOM 0 H ASN A 19 1.094 -7.407 -10.002 1.00 0.00 H new ATOM 0 HA ASN A 19 0.591 -9.619 -11.909 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.406 -6.955 -12.495 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.117 -7.214 -12.776 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.671 -9.429 -15.578 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.736 -9.057 -14.219 1.00 0.00 H new ATOM 275 N GLU A 20 2.773 -10.474 -10.996 1.00 0.00 N ATOM 276 CA GLU A 20 4.092 -11.030 -10.715 1.00 0.00 C ATOM 277 C GLU A 20 4.831 -11.398 -12.003 1.00 0.00 C ATOM 278 O GLU A 20 5.958 -11.889 -11.960 1.00 0.00 O ATOM 279 CB GLU A 20 3.963 -12.262 -9.818 1.00 0.00 C ATOM 280 CG GLU A 20 4.928 -12.261 -8.644 1.00 0.00 C ATOM 281 CD GLU A 20 6.345 -12.610 -9.054 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.615 -13.804 -9.300 1.00 0.00 O ATOM 283 OE2 GLU A 20 7.186 -11.689 -9.127 1.00 0.00 O ATOM 0 H GLU A 20 2.007 -11.141 -10.905 1.00 0.00 H new ATOM 0 HA GLU A 20 4.673 -10.265 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.943 -12.321 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.133 -13.157 -10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.921 -11.278 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.584 -12.975 -7.895 1.00 0.00 H new ATOM 290 N ASP A 21 4.193 -11.159 -13.147 1.00 0.00 N ATOM 291 CA ASP A 21 4.797 -11.466 -14.437 1.00 0.00 C ATOM 292 C ASP A 21 5.739 -10.351 -14.888 1.00 0.00 C ATOM 293 O ASP A 21 6.332 -10.430 -15.964 1.00 0.00 O ATOM 294 CB ASP A 21 3.711 -11.681 -15.488 1.00 0.00 C ATOM 295 CG ASP A 21 2.913 -12.948 -15.248 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.907 -12.887 -14.511 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.297 -14.003 -15.797 1.00 0.00 O ATOM 0 H ASP A 21 3.259 -10.754 -13.205 1.00 0.00 H new ATOM 0 HA ASP A 21 5.379 -12.380 -14.324 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.036 -10.825 -15.489 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.170 -11.726 -16.476 1.00 0.00 H new ATOM 302 N VAL A 22 5.875 -9.314 -14.066 1.00 0.00 N ATOM 303 CA VAL A 22 6.748 -8.192 -14.396 1.00 0.00 C ATOM 304 C VAL A 22 8.061 -8.281 -13.626 1.00 0.00 C ATOM 305 O VAL A 22 8.417 -9.337 -13.102 1.00 0.00 O ATOM 306 CB VAL A 22 6.086 -6.819 -14.123 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.909 -6.039 -15.417 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.765 -6.994 -13.424 1.00 0.00 C ATOM 0 H VAL A 22 5.394 -9.227 -13.171 1.00 0.00 H new ATOM 0 HA VAL A 22 6.942 -8.262 -15.466 1.00 0.00 H new ATOM 0 HB VAL A 22 6.745 -6.249 -13.469 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.442 -5.078 -15.202 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.883 -5.874 -15.879 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.275 -6.605 -16.099 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.317 -6.017 -13.242 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.098 -7.588 -14.049 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.921 -7.504 -12.474 1.00 0.00 H new ATOM 318 N SER A 23 8.775 -7.164 -13.559 1.00 0.00 N ATOM 319 CA SER A 23 10.045 -7.104 -12.850 1.00 0.00 C ATOM 320 C SER A 23 10.572 -5.672 -12.821 1.00 0.00 C ATOM 321 O SER A 23 11.126 -5.189 -13.810 1.00 0.00 O ATOM 322 CB SER A 23 11.069 -8.025 -13.516 1.00 0.00 C ATOM 323 OG SER A 23 11.067 -7.860 -14.923 1.00 0.00 O ATOM 0 H SER A 23 8.493 -6.284 -13.990 1.00 0.00 H new ATOM 0 HA SER A 23 9.884 -7.439 -11.825 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.063 -7.812 -13.124 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.844 -9.062 -13.268 1.00 0.00 H new ATOM 0 HG SER A 23 11.116 -6.906 -15.141 1.00 0.00 H new ATOM 329 N PRO A 24 10.404 -4.962 -11.689 1.00 0.00 N ATOM 330 CA PRO A 24 9.748 -5.497 -10.487 1.00 0.00 C ATOM 331 C PRO A 24 8.245 -5.683 -10.667 1.00 0.00 C ATOM 332 O PRO A 24 7.654 -5.162 -11.614 1.00 0.00 O ATOM 333 CB PRO A 24 10.024 -4.429 -9.430 1.00 0.00 C ATOM 334 CG PRO A 24 10.209 -3.170 -10.202 1.00 0.00 C ATOM 335 CD PRO A 24 10.851 -3.570 -11.500 1.00 0.00 C ATOM 0 HA PRO A 24 10.125 -6.487 -10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.195 -4.344 -8.727 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.913 -4.670 -8.847 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.254 -2.675 -10.376 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.838 -2.467 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.529 -2.930 -12.321 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.938 -3.501 -11.449 1.00 0.00 H new ATOM 343 N ALA A 25 7.632 -6.428 -9.750 1.00 0.00 N ATOM 344 CA ALA A 25 6.195 -6.680 -9.806 1.00 0.00 C ATOM 345 C ALA A 25 5.406 -5.383 -9.781 1.00 0.00 C ATOM 346 O ALA A 25 5.974 -4.299 -9.648 1.00 0.00 O ATOM 347 CB ALA A 25 5.754 -7.558 -8.648 1.00 0.00 C ATOM 0 H ALA A 25 8.107 -6.867 -8.961 1.00 0.00 H new ATOM 0 HA ALA A 25 5.995 -7.196 -10.745 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.680 -7.732 -8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.279 -8.512 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.986 -7.061 -7.706 1.00 0.00 H new ATOM 353 N GLU A 26 4.091 -5.504 -9.896 1.00 0.00 N ATOM 354 CA GLU A 26 3.223 -4.340 -9.871 1.00 0.00 C ATOM 355 C GLU A 26 1.774 -4.736 -9.618 1.00 0.00 C ATOM 356 O GLU A 26 1.263 -5.678 -10.223 1.00 0.00 O ATOM 357 CB GLU A 26 3.332 -3.566 -11.186 1.00 0.00 C ATOM 358 CG GLU A 26 2.819 -4.338 -12.391 1.00 0.00 C ATOM 359 CD GLU A 26 1.435 -3.893 -12.822 1.00 0.00 C ATOM 360 OE1 GLU A 26 0.459 -4.218 -12.114 1.00 0.00 O ATOM 361 OE2 GLU A 26 1.328 -3.216 -13.866 1.00 0.00 O ATOM 0 H GLU A 26 3.605 -6.394 -10.007 1.00 0.00 H new ATOM 0 HA GLU A 26 3.549 -3.699 -9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.773 -2.634 -11.097 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.375 -3.297 -11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.513 -4.211 -13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.797 -5.402 -12.154 1.00 0.00 H new ATOM 368 N LEU A 27 1.109 -3.997 -8.736 1.00 0.00 N ATOM 369 CA LEU A 27 -0.289 -4.258 -8.427 1.00 0.00 C ATOM 370 C LEU A 27 -1.148 -3.154 -9.040 1.00 0.00 C ATOM 371 O LEU A 27 -0.702 -2.015 -9.158 1.00 0.00 O ATOM 372 CB LEU A 27 -0.505 -4.370 -6.903 1.00 0.00 C ATOM 373 CG LEU A 27 -0.802 -3.065 -6.154 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.141 -2.465 -6.558 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.782 -3.314 -4.662 1.00 0.00 C ATOM 0 H LEU A 27 1.516 -3.214 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.587 -5.214 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.330 -5.060 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.386 -4.819 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.026 -2.348 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.309 -1.542 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.135 -2.249 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.939 -3.173 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.994 -2.384 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.539 -4.056 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.201 -3.682 -4.368 1.00 0.00 H new ATOM 387 N THR A 28 -2.363 -3.491 -9.459 1.00 0.00 N ATOM 388 CA THR A 28 -3.238 -2.504 -10.089 1.00 0.00 C ATOM 389 C THR A 28 -4.651 -2.528 -9.521 1.00 0.00 C ATOM 390 O THR A 28 -5.393 -3.491 -9.713 1.00 0.00 O ATOM 391 CB THR A 28 -3.291 -2.751 -11.597 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.050 -3.245 -12.067 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.623 -1.510 -12.395 1.00 0.00 C ATOM 0 H THR A 28 -2.762 -4.426 -9.377 1.00 0.00 H new ATOM 0 HA THR A 28 -2.818 -1.520 -9.879 1.00 0.00 H new ATOM 0 HB THR A 28 -4.088 -3.480 -11.743 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.104 -3.398 -13.033 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.645 -1.755 -13.457 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.599 -1.132 -12.090 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.865 -0.748 -12.214 1.00 0.00 H new ATOM 401 N TRP A 29 -5.031 -1.444 -8.846 1.00 0.00 N ATOM 402 CA TRP A 29 -6.357 -1.324 -8.287 1.00 0.00 C ATOM 403 C TRP A 29 -7.274 -0.639 -9.292 1.00 0.00 C ATOM 404 O TRP A 29 -7.126 0.549 -9.561 1.00 0.00 O ATOM 405 CB TRP A 29 -6.323 -0.504 -6.999 1.00 0.00 C ATOM 406 CG TRP A 29 -7.688 -0.223 -6.462 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.394 -1.011 -5.615 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.518 0.907 -6.753 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.617 -0.443 -5.344 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.716 0.737 -6.032 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.365 2.047 -7.547 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.754 1.664 -6.084 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.396 2.967 -7.598 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.577 2.771 -6.870 1.00 0.00 C ATOM 0 H TRP A 29 -4.429 -0.638 -8.678 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.731 -2.323 -8.062 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.744 -1.039 -6.247 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.809 0.439 -7.186 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.046 -1.950 -5.211 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.332 -0.836 -4.732 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.458 2.206 -8.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.666 1.515 -5.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.289 3.851 -8.209 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.364 3.508 -6.930 1.00 0.00 H new ATOM 425 N ARG A 30 -8.215 -1.390 -9.842 1.00 0.00 N ATOM 426 CA ARG A 30 -9.149 -0.841 -10.820 1.00 0.00 C ATOM 427 C ARG A 30 -10.555 -0.753 -10.241 1.00 0.00 C ATOM 428 O ARG A 30 -11.060 -1.718 -9.675 1.00 0.00 O ATOM 429 CB ARG A 30 -9.159 -1.700 -12.085 1.00 0.00 C ATOM 430 CG ARG A 30 -9.833 -1.029 -13.271 1.00 0.00 C ATOM 431 CD ARG A 30 -9.164 -1.411 -14.581 1.00 0.00 C ATOM 432 NE ARG A 30 -10.098 -1.373 -15.704 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.858 -1.936 -16.887 1.00 0.00 C ATOM 434 NH1 ARG A 30 -8.718 -2.579 -17.105 1.00 0.00 N ATOM 435 NH2 ARG A 30 -10.762 -1.855 -17.854 1.00 0.00 N ATOM 0 H ARG A 30 -8.354 -2.378 -9.631 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.818 0.166 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.132 -1.948 -12.354 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.669 -2.640 -11.872 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.885 -1.313 -13.302 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.799 0.053 -13.146 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.335 -0.731 -14.776 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.742 -2.412 -14.494 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.985 -0.887 -15.574 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.020 -2.644 -16.364 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.540 -3.008 -18.013 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.640 -1.362 -17.691 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.579 -2.286 -18.760 1.00 0.00 H new ATOM 449 N SER A 31 -11.189 0.407 -10.390 1.00 0.00 N ATOM 450 CA SER A 31 -12.542 0.603 -9.877 1.00 0.00 C ATOM 451 C SER A 31 -13.454 -0.537 -10.323 1.00 0.00 C ATOM 452 O SER A 31 -13.163 -1.228 -11.299 1.00 0.00 O ATOM 453 CB SER A 31 -13.105 1.940 -10.363 1.00 0.00 C ATOM 454 OG SER A 31 -12.542 3.023 -9.644 1.00 0.00 O ATOM 0 H SER A 31 -10.791 1.221 -10.859 1.00 0.00 H new ATOM 0 HA SER A 31 -12.498 0.611 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.899 2.060 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.189 1.946 -10.246 1.00 0.00 H new ATOM 0 HG SER A 31 -12.022 2.679 -8.888 1.00 0.00 H new ATOM 460 N THR A 32 -14.556 -0.731 -9.607 1.00 0.00 N ATOM 461 CA THR A 32 -15.498 -1.787 -9.940 1.00 0.00 C ATOM 462 C THR A 32 -16.293 -1.393 -11.172 1.00 0.00 C ATOM 463 O THR A 32 -16.604 -2.223 -12.027 1.00 0.00 O ATOM 464 CB THR A 32 -16.438 -2.056 -8.763 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.725 -2.591 -7.663 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.553 -3.021 -9.096 1.00 0.00 C ATOM 0 H THR A 32 -14.816 -0.171 -8.795 1.00 0.00 H new ATOM 0 HA THR A 32 -14.945 -2.702 -10.151 1.00 0.00 H new ATOM 0 HB THR A 32 -16.876 -1.088 -8.518 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.748 -1.955 -6.918 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.182 -3.167 -8.218 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.154 -2.615 -9.910 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.128 -3.977 -9.401 1.00 0.00 H new ATOM 474 N ASP A 33 -16.609 -0.114 -11.247 1.00 0.00 N ATOM 475 CA ASP A 33 -17.361 0.426 -12.366 1.00 0.00 C ATOM 476 C ASP A 33 -16.441 0.759 -13.539 1.00 0.00 C ATOM 477 O ASP A 33 -16.901 0.948 -14.665 1.00 0.00 O ATOM 478 CB ASP A 33 -18.134 1.675 -11.936 1.00 0.00 C ATOM 479 CG ASP A 33 -19.078 1.403 -10.782 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.890 0.460 -10.889 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.004 2.131 -9.770 1.00 0.00 O ATOM 0 H ASP A 33 -16.354 0.576 -10.540 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.069 -0.336 -12.692 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.428 2.454 -11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.702 2.057 -12.784 1.00 0.00 H new ATOM 486 N GLY A 34 -15.140 0.832 -13.269 1.00 0.00 N ATOM 487 CA GLY A 34 -14.182 1.143 -14.314 1.00 0.00 C ATOM 488 C GLY A 34 -14.003 2.636 -14.502 1.00 0.00 C ATOM 489 O GLY A 34 -13.798 3.107 -15.621 1.00 0.00 O ATOM 0 H GLY A 34 -14.733 0.681 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.221 0.692 -14.069 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.513 0.698 -15.252 1.00 0.00 H new ATOM 493 N ASP A 35 -14.088 3.381 -13.405 1.00 0.00 N ATOM 494 CA ASP A 35 -13.941 4.832 -13.454 1.00 0.00 C ATOM 495 C ASP A 35 -12.475 5.245 -13.373 1.00 0.00 C ATOM 496 O ASP A 35 -12.098 6.317 -13.847 1.00 0.00 O ATOM 497 CB ASP A 35 -14.729 5.483 -12.316 1.00 0.00 C ATOM 498 CG ASP A 35 -16.228 5.375 -12.516 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.713 4.254 -12.773 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.916 6.413 -12.415 1.00 0.00 O ATOM 0 H ASP A 35 -14.258 3.005 -12.472 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.338 5.175 -14.409 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.456 5.011 -11.372 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.450 6.534 -12.239 1.00 0.00 H new ATOM 505 N LYS A 36 -11.654 4.394 -12.770 1.00 0.00 N ATOM 506 CA LYS A 36 -10.230 4.682 -12.630 1.00 0.00 C ATOM 507 C LYS A 36 -9.488 3.516 -12.000 1.00 0.00 C ATOM 508 O LYS A 36 -10.091 2.609 -11.426 1.00 0.00 O ATOM 509 CB LYS A 36 -10.027 5.948 -11.795 1.00 0.00 C ATOM 510 CG LYS A 36 -10.399 5.780 -10.327 1.00 0.00 C ATOM 511 CD LYS A 36 -11.609 6.621 -9.954 1.00 0.00 C ATOM 512 CE LYS A 36 -11.201 8.007 -9.485 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.723 8.857 -10.609 1.00 0.00 N ATOM 0 H LYS A 36 -11.947 3.502 -12.371 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.821 4.841 -13.628 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.983 6.254 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.624 6.754 -12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.609 4.730 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.552 6.064 -9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.272 6.708 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.172 6.121 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.049 8.490 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.414 7.919 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.616 9.838 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.805 8.503 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.413 8.825 -11.386 1.00 0.00 H new ATOM 527 N VAL A 37 -8.171 3.544 -12.139 1.00 0.00 N ATOM 528 CA VAL A 37 -7.322 2.493 -11.619 1.00 0.00 C ATOM 529 C VAL A 37 -5.986 3.055 -11.135 1.00 0.00 C ATOM 530 O VAL A 37 -5.464 4.018 -11.698 1.00 0.00 O ATOM 531 CB VAL A 37 -7.080 1.429 -12.706 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.919 2.095 -14.068 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.875 0.547 -12.378 1.00 0.00 C ATOM 0 H VAL A 37 -7.667 4.293 -12.613 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.828 2.035 -10.769 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.953 0.777 -12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.748 1.332 -14.828 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.824 2.652 -14.310 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.069 2.777 -14.041 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.738 -0.190 -13.169 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.981 1.166 -12.300 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.046 0.036 -11.431 1.00 0.00 H new ATOM 543 N HIS A 38 -5.438 2.441 -10.093 1.00 0.00 N ATOM 544 CA HIS A 38 -4.163 2.870 -9.534 1.00 0.00 C ATOM 545 C HIS A 38 -3.141 1.739 -9.592 1.00 0.00 C ATOM 546 O HIS A 38 -3.352 0.671 -9.020 1.00 0.00 O ATOM 547 CB HIS A 38 -4.344 3.335 -8.087 1.00 0.00 C ATOM 548 CG HIS A 38 -4.772 4.765 -7.966 1.00 0.00 C ATOM 549 ND1 HIS A 38 -3.928 5.769 -7.541 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.962 5.358 -8.220 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.582 6.918 -7.537 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.817 6.696 -7.944 1.00 0.00 N ATOM 0 H HIS A 38 -5.858 1.643 -9.618 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.794 3.704 -10.131 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.085 2.700 -7.600 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.405 3.199 -7.550 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.858 4.870 -8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.174 7.876 -7.249 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.546 7.403 -8.038 1.00 0.00 H new ATOM 561 N THR A 39 -2.037 1.979 -10.292 1.00 0.00 N ATOM 562 CA THR A 39 -0.989 0.974 -10.425 1.00 0.00 C ATOM 563 C THR A 39 0.116 1.204 -9.398 1.00 0.00 C ATOM 564 O THR A 39 0.476 2.343 -9.102 1.00 0.00 O ATOM 565 CB THR A 39 -0.404 0.997 -11.839 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.267 1.681 -12.730 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.160 -0.384 -12.406 1.00 0.00 C ATOM 0 H THR A 39 -1.845 2.857 -10.774 1.00 0.00 H new ATOM 0 HA THR A 39 -1.433 -0.005 -10.242 1.00 0.00 H new ATOM 0 HB THR A 39 0.553 1.510 -11.747 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.874 1.686 -13.628 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.255 -0.297 -13.410 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.543 -0.920 -11.768 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.102 -0.931 -12.449 1.00 0.00 H new ATOM 575 N VAL A 40 0.642 0.113 -8.851 1.00 0.00 N ATOM 576 CA VAL A 40 1.696 0.193 -7.850 1.00 0.00 C ATOM 577 C VAL A 40 2.864 -0.718 -8.199 1.00 0.00 C ATOM 578 O VAL A 40 2.670 -1.854 -8.628 1.00 0.00 O ATOM 579 CB VAL A 40 1.156 -0.191 -6.449 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.960 -1.326 -5.817 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.146 1.011 -5.531 1.00 0.00 C ATOM 0 H VAL A 40 0.354 -0.837 -9.085 1.00 0.00 H new ATOM 0 HA VAL A 40 2.045 1.225 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 40 0.134 -0.544 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.547 -1.562 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.908 -2.208 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.000 -1.018 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.763 0.719 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.160 1.395 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.507 1.786 -5.954 1.00 0.00 H new ATOM 591 N VAL A 41 4.074 -0.227 -7.971 1.00 0.00 N ATOM 592 CA VAL A 41 5.271 -1.014 -8.215 1.00 0.00 C ATOM 593 C VAL A 41 5.823 -1.501 -6.883 1.00 0.00 C ATOM 594 O VAL A 41 6.533 -0.772 -6.191 1.00 0.00 O ATOM 595 CB VAL A 41 6.354 -0.208 -8.958 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.528 -1.106 -9.328 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.773 0.452 -10.198 1.00 0.00 C ATOM 0 H VAL A 41 4.251 0.713 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 41 4.997 -1.857 -8.850 1.00 0.00 H new ATOM 0 HB VAL A 41 6.717 0.575 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.283 -0.520 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.962 -1.530 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.180 -1.911 -9.975 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.553 1.016 -10.709 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.381 -0.313 -10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.968 1.127 -9.908 1.00 0.00 H new ATOM 607 N LEU A 42 5.469 -2.732 -6.520 1.00 0.00 N ATOM 608 CA LEU A 42 5.897 -3.330 -5.257 1.00 0.00 C ATOM 609 C LEU A 42 7.367 -3.028 -4.944 1.00 0.00 C ATOM 610 O LEU A 42 7.774 -3.036 -3.782 1.00 0.00 O ATOM 611 CB LEU A 42 5.664 -4.844 -5.291 1.00 0.00 C ATOM 612 CG LEU A 42 4.203 -5.309 -5.155 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.801 -5.425 -3.701 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.244 -4.376 -5.863 1.00 0.00 C ATOM 0 H LEU A 42 4.881 -3.340 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 42 5.298 -2.885 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.061 -5.231 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.244 -5.298 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 42 4.145 -6.290 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.764 -5.755 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.445 -6.149 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.904 -4.454 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.224 -4.742 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.325 -3.377 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.491 -4.336 -6.924 1.00 0.00 H new ATOM 626 N SER A 43 8.155 -2.749 -5.979 1.00 0.00 N ATOM 627 CA SER A 43 9.568 -2.433 -5.802 1.00 0.00 C ATOM 628 C SER A 43 9.720 -1.004 -5.308 1.00 0.00 C ATOM 629 O SER A 43 10.419 -0.746 -4.329 1.00 0.00 O ATOM 630 CB SER A 43 10.332 -2.621 -7.114 1.00 0.00 C ATOM 631 OG SER A 43 11.481 -1.793 -7.165 1.00 0.00 O ATOM 0 H SER A 43 7.838 -2.736 -6.949 1.00 0.00 H new ATOM 0 HA SER A 43 9.987 -3.114 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.629 -3.665 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.677 -2.390 -7.955 1.00 0.00 H new ATOM 0 HG SER A 43 12.109 -2.145 -7.830 1.00 0.00 H new ATOM 637 N THR A 44 9.035 -0.080 -5.974 1.00 0.00 N ATOM 638 CA THR A 44 9.072 1.307 -5.584 1.00 0.00 C ATOM 639 C THR A 44 8.450 1.453 -4.204 1.00 0.00 C ATOM 640 O THR A 44 8.799 2.353 -3.441 1.00 0.00 O ATOM 641 CB THR A 44 8.317 2.153 -6.601 1.00 0.00 C ATOM 642 OG1 THR A 44 6.928 1.882 -6.549 1.00 0.00 O ATOM 643 CG2 THR A 44 8.779 1.930 -8.026 1.00 0.00 C ATOM 0 H THR A 44 8.450 -0.276 -6.786 1.00 0.00 H new ATOM 0 HA THR A 44 10.105 1.652 -5.550 1.00 0.00 H new ATOM 0 HB THR A 44 8.525 3.187 -6.327 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.786 0.955 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.201 2.563 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.836 2.182 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.633 0.884 -8.296 1.00 0.00 H new ATOM 651 N ILE A 45 7.536 0.536 -3.884 1.00 0.00 N ATOM 652 CA ILE A 45 6.879 0.541 -2.586 1.00 0.00 C ATOM 653 C ILE A 45 7.911 0.478 -1.461 1.00 0.00 C ATOM 654 O ILE A 45 8.594 -0.533 -1.290 1.00 0.00 O ATOM 655 CB ILE A 45 5.915 -0.656 -2.448 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.802 -0.573 -3.497 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.331 -0.719 -1.044 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.866 0.600 -3.303 1.00 0.00 C ATOM 0 H ILE A 45 7.238 -0.215 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 45 6.311 1.468 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 45 6.479 -1.572 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.253 -0.506 -4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.223 -1.496 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.654 -1.570 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.137 -0.832 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.782 0.200 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.105 0.591 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.386 0.525 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.432 1.530 -3.358 1.00 0.00 H new ATOM 670 N ASP A 46 8.022 1.560 -0.695 1.00 0.00 N ATOM 671 CA ASP A 46 8.971 1.620 0.414 1.00 0.00 C ATOM 672 C ASP A 46 8.803 0.422 1.344 1.00 0.00 C ATOM 673 O ASP A 46 9.776 -0.089 1.898 1.00 0.00 O ATOM 674 CB ASP A 46 8.786 2.920 1.200 1.00 0.00 C ATOM 675 CG ASP A 46 10.095 3.453 1.751 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.981 3.801 0.943 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.231 3.523 2.990 1.00 0.00 O ATOM 0 H ASP A 46 7.467 2.407 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 46 9.978 1.593 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.334 3.672 0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.091 2.749 2.022 1.00 0.00 H new ATOM 682 N LYS A 47 7.561 -0.023 1.506 1.00 0.00 N ATOM 683 CA LYS A 47 7.260 -1.164 2.363 1.00 0.00 C ATOM 684 C LYS A 47 5.799 -1.577 2.222 1.00 0.00 C ATOM 685 O LYS A 47 4.991 -0.847 1.648 1.00 0.00 O ATOM 686 CB LYS A 47 7.577 -0.834 3.824 1.00 0.00 C ATOM 687 CG LYS A 47 6.729 0.292 4.394 1.00 0.00 C ATOM 688 CD LYS A 47 7.288 0.792 5.716 1.00 0.00 C ATOM 689 CE LYS A 47 6.191 1.344 6.612 1.00 0.00 C ATOM 690 NZ LYS A 47 6.525 1.197 8.054 1.00 0.00 N ATOM 0 H LYS A 47 6.745 0.390 1.054 1.00 0.00 H new ATOM 0 HA LYS A 47 7.886 -1.999 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.431 -1.729 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.629 -0.562 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.687 1.115 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.707 -0.057 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.801 -0.023 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.030 1.568 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.031 2.397 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.255 0.826 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.752 1.585 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.653 0.190 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.404 1.713 8.261 1.00 0.00 H new ATOM 704 N LEU A 48 5.468 -2.750 2.747 1.00 0.00 N ATOM 705 CA LEU A 48 4.104 -3.263 2.677 1.00 0.00 C ATOM 706 C LEU A 48 3.437 -3.233 4.051 1.00 0.00 C ATOM 707 O LEU A 48 3.899 -3.884 4.988 1.00 0.00 O ATOM 708 CB LEU A 48 4.110 -4.695 2.140 1.00 0.00 C ATOM 709 CG LEU A 48 2.737 -5.365 2.081 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.970 -4.892 0.857 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.880 -6.881 2.074 1.00 0.00 C ATOM 0 H LEU A 48 6.125 -3.365 3.226 1.00 0.00 H new ATOM 0 HA LEU A 48 3.535 -2.623 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.539 -4.690 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.767 -5.300 2.765 1.00 0.00 H new ATOM 0 HG LEU A 48 2.175 -5.081 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.995 -5.378 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.836 -3.811 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.529 -5.147 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.892 -7.339 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.460 -7.188 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.391 -7.202 2.982 1.00 0.00 H new ATOM 723 N GLN A 49 2.346 -2.479 4.165 1.00 0.00 N ATOM 724 CA GLN A 49 1.616 -2.374 5.423 1.00 0.00 C ATOM 725 C GLN A 49 0.228 -2.987 5.285 1.00 0.00 C ATOM 726 O GLN A 49 -0.380 -2.919 4.224 1.00 0.00 O ATOM 727 CB GLN A 49 1.490 -0.909 5.840 1.00 0.00 C ATOM 728 CG GLN A 49 1.551 -0.695 7.343 1.00 0.00 C ATOM 729 CD GLN A 49 1.665 0.769 7.719 1.00 0.00 C ATOM 730 OE1 GLN A 49 1.178 1.645 7.004 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.312 1.042 8.846 1.00 0.00 N ATOM 0 H GLN A 49 1.949 -1.932 3.401 1.00 0.00 H new ATOM 0 HA GLN A 49 2.170 -2.918 6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.288 -0.336 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.547 -0.513 5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.657 -1.116 7.803 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.404 -1.238 7.749 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.700 0.284 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.421 2.010 9.150 1.00 0.00 H new ATOM 740 N ALA A 50 -0.264 -3.593 6.357 1.00 0.00 N ATOM 741 CA ALA A 50 -1.577 -4.214 6.336 1.00 0.00 C ATOM 742 C ALA A 50 -2.154 -4.330 7.746 1.00 0.00 C ATOM 743 O ALA A 50 -1.409 -4.433 8.720 1.00 0.00 O ATOM 744 CB ALA A 50 -1.476 -5.574 5.677 1.00 0.00 C ATOM 0 H ALA A 50 0.226 -3.667 7.248 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.257 -3.587 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.459 -6.044 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.111 -5.458 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.785 -6.201 6.240 1.00 0.00 H new ATOM 750 N THR A 51 -3.481 -4.304 7.852 1.00 0.00 N ATOM 751 CA THR A 51 -4.142 -4.398 9.150 1.00 0.00 C ATOM 752 C THR A 51 -3.723 -5.665 9.896 1.00 0.00 C ATOM 753 O THR A 51 -3.650 -6.745 9.308 1.00 0.00 O ATOM 754 CB THR A 51 -5.660 -4.380 8.972 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.051 -5.222 7.904 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.213 -2.998 8.696 1.00 0.00 C ATOM 0 H THR A 51 -4.116 -4.219 7.058 1.00 0.00 H new ATOM 0 HA THR A 51 -3.837 -3.536 9.743 1.00 0.00 H new ATOM 0 HB THR A 51 -6.066 -4.734 9.920 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.267 -5.697 7.558 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.295 -3.056 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.972 -2.337 9.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.770 -2.605 7.781 1.00 0.00 H new ATOM 847 N MET A 58 -10.214 -5.055 7.854 1.00 0.00 N ATOM 848 CA MET A 58 -9.118 -5.523 7.013 1.00 0.00 C ATOM 849 C MET A 58 -8.709 -4.461 5.999 1.00 0.00 C ATOM 850 O MET A 58 -9.535 -3.974 5.228 1.00 0.00 O ATOM 851 CB MET A 58 -9.525 -6.807 6.291 1.00 0.00 C ATOM 852 CG MET A 58 -10.095 -7.866 7.219 1.00 0.00 C ATOM 853 SD MET A 58 -11.840 -7.597 7.591 1.00 0.00 S ATOM 854 CE MET A 58 -12.580 -7.927 5.994 1.00 0.00 C ATOM 0 HA MET A 58 -8.261 -5.726 7.655 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.265 -6.567 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.656 -7.216 5.775 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.972 -8.848 6.762 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.526 -7.873 8.149 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.292 -7.138 5.753 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.801 -7.959 5.232 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.097 -8.886 6.024 1.00 0.00 H new ATOM 864 N MET A 59 -7.429 -4.101 6.012 1.00 0.00 N ATOM 865 CA MET A 59 -6.911 -3.092 5.098 1.00 0.00 C ATOM 866 C MET A 59 -5.447 -3.345 4.752 1.00 0.00 C ATOM 867 O MET A 59 -4.641 -3.678 5.621 1.00 0.00 O ATOM 868 CB MET A 59 -7.050 -1.704 5.719 1.00 0.00 C ATOM 869 CG MET A 59 -8.476 -1.348 6.104 1.00 0.00 C ATOM 870 SD MET A 59 -8.762 0.431 6.136 1.00 0.00 S ATOM 871 CE MET A 59 -8.246 0.825 7.804 1.00 0.00 C ATOM 0 H MET A 59 -6.733 -4.494 6.646 1.00 0.00 H new ATOM 0 HA MET A 59 -7.495 -3.149 4.179 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.419 -1.647 6.606 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.677 -0.961 5.014 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.165 -1.810 5.397 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.698 -1.766 7.086 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.364 1.895 7.978 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.860 0.272 8.515 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.200 0.549 7.936 1.00 0.00 H new ATOM 881 N LEU A 60 -5.109 -3.161 3.482 1.00 0.00 N ATOM 882 CA LEU A 60 -3.736 -3.342 3.019 1.00 0.00 C ATOM 883 C LEU A 60 -3.189 -2.025 2.476 1.00 0.00 C ATOM 884 O LEU A 60 -3.925 -1.245 1.871 1.00 0.00 O ATOM 885 CB LEU A 60 -3.659 -4.423 1.938 1.00 0.00 C ATOM 886 CG LEU A 60 -4.094 -5.833 2.361 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.599 -6.851 1.355 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.571 -6.195 3.741 1.00 0.00 C ATOM 0 H LEU A 60 -5.767 -2.886 2.752 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.131 -3.662 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.277 -4.111 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.632 -4.475 1.577 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.183 -5.842 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.912 -7.849 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.017 -6.626 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.511 -6.812 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.901 -7.200 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.482 -6.160 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.955 -5.485 4.473 1.00 0.00 H new ATOM 900 N ARG A 61 -1.905 -1.770 2.708 1.00 0.00 N ATOM 901 CA ARG A 61 -1.289 -0.530 2.250 1.00 0.00 C ATOM 902 C ARG A 61 0.159 -0.737 1.815 1.00 0.00 C ATOM 903 O ARG A 61 0.865 -1.587 2.350 1.00 0.00 O ATOM 904 CB ARG A 61 -1.329 0.509 3.369 1.00 0.00 C ATOM 905 CG ARG A 61 -1.086 1.934 2.897 1.00 0.00 C ATOM 906 CD ARG A 61 -0.264 2.725 3.904 1.00 0.00 C ATOM 907 NE ARG A 61 -0.893 3.999 4.243 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.587 4.712 5.325 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.339 4.281 6.172 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.208 5.860 5.559 1.00 0.00 N ATOM 0 H ARG A 61 -1.276 -2.400 3.206 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.856 -0.183 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.300 0.461 3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.579 0.252 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.569 1.917 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.042 2.432 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.133 2.133 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.730 2.909 3.496 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.608 4.364 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.821 3.399 5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.569 4.831 6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.920 6.196 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.974 6.407 6.388 1.00 0.00 H new ATOM 924 N LEU A 62 0.596 0.071 0.855 1.00 0.00 N ATOM 925 CA LEU A 62 1.966 0.013 0.358 1.00 0.00 C ATOM 926 C LEU A 62 2.589 1.405 0.395 1.00 0.00 C ATOM 927 O LEU A 62 2.108 2.325 -0.264 1.00 0.00 O ATOM 928 CB LEU A 62 2.009 -0.536 -1.068 1.00 0.00 C ATOM 929 CG LEU A 62 1.434 -1.940 -1.238 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.139 -1.880 -2.019 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.436 -2.866 -1.925 1.00 0.00 C ATOM 0 H LEU A 62 0.017 0.778 0.403 1.00 0.00 H new ATOM 0 HA LEU A 62 2.535 -0.658 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.462 0.145 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.045 -0.540 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 62 1.229 -2.349 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.263 -2.887 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.581 -1.261 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.327 -1.449 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.999 -3.859 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.682 -2.469 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.343 -2.932 -1.323 1.00 0.00 H new ATOM 943 N ILE A 63 3.652 1.562 1.174 1.00 0.00 N ATOM 944 CA ILE A 63 4.321 2.853 1.290 1.00 0.00 C ATOM 945 C ILE A 63 5.178 3.137 0.063 1.00 0.00 C ATOM 946 O ILE A 63 5.588 2.217 -0.639 1.00 0.00 O ATOM 947 CB ILE A 63 5.211 2.926 2.548 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.510 2.280 3.746 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.572 4.372 2.855 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.143 2.861 4.036 1.00 0.00 C ATOM 0 H ILE A 63 4.068 0.817 1.732 1.00 0.00 H new ATOM 0 HA ILE A 63 3.536 3.604 1.370 1.00 0.00 H new ATOM 0 HB ILE A 63 6.129 2.372 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.409 1.210 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.139 2.395 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.200 4.409 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.113 4.799 2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.661 4.945 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.708 2.354 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.238 3.925 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.497 2.722 3.169 1.00 0.00 H new ATOM 962 N GLY A 64 5.441 4.414 -0.192 1.00 0.00 N ATOM 963 CA GLY A 64 6.249 4.790 -1.338 1.00 0.00 C ATOM 964 C GLY A 64 7.530 5.497 -0.939 1.00 0.00 C ATOM 965 O GLY A 64 7.589 6.145 0.106 1.00 0.00 O ATOM 0 H GLY A 64 5.110 5.195 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.495 3.898 -1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.667 5.440 -1.991 1.00 0.00 H new ATOM 991 N VAL A 66 9.953 8.311 -0.765 1.00 0.00 N ATOM 992 CA VAL A 66 9.924 9.761 -0.918 1.00 0.00 C ATOM 993 C VAL A 66 11.309 10.308 -1.247 1.00 0.00 C ATOM 994 O VAL A 66 12.320 9.645 -1.012 1.00 0.00 O ATOM 995 CB VAL A 66 9.398 10.449 0.357 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.335 10.213 1.527 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.195 11.939 0.119 1.00 0.00 C ATOM 0 HA VAL A 66 9.247 9.979 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 66 8.433 10.008 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.941 10.709 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.418 9.143 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.319 10.618 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.823 12.406 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.144 12.395 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.472 12.084 -0.683 1.00 0.00 H new ATOM 1007 N ASP A 67 11.348 11.520 -1.787 1.00 0.00 N ATOM 1008 CA ASP A 67 12.609 12.157 -2.144 1.00 0.00 C ATOM 1009 C ASP A 67 13.005 13.191 -1.094 1.00 0.00 C ATOM 1010 O ASP A 67 12.915 14.396 -1.330 1.00 0.00 O ATOM 1011 CB ASP A 67 12.500 12.821 -3.518 1.00 0.00 C ATOM 1012 CG ASP A 67 11.265 13.693 -3.642 1.00 0.00 C ATOM 1013 OD1 ASP A 67 10.766 14.167 -2.601 1.00 0.00 O ATOM 1014 OD2 ASP A 67 10.798 13.901 -4.782 1.00 0.00 O ATOM 0 H ASP A 67 10.520 12.081 -1.987 1.00 0.00 H new ATOM 0 HA ASP A 67 13.381 11.388 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.388 13.426 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.477 12.052 -4.290 1.00 0.00 H new ATOM 1019 N GLU A 68 13.440 12.710 0.067 1.00 0.00 N ATOM 1020 CA GLU A 68 13.848 13.591 1.155 1.00 0.00 C ATOM 1021 C GLU A 68 14.919 14.576 0.697 1.00 0.00 C ATOM 1022 O GLU A 68 15.080 15.649 1.279 1.00 0.00 O ATOM 1023 CB GLU A 68 14.367 12.769 2.337 1.00 0.00 C ATOM 1024 CG GLU A 68 13.289 11.950 3.028 1.00 0.00 C ATOM 1025 CD GLU A 68 13.501 11.851 4.526 1.00 0.00 C ATOM 1026 OE1 GLU A 68 14.108 12.777 5.102 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.060 10.847 5.123 1.00 0.00 O ATOM 0 H GLU A 68 13.519 11.715 0.278 1.00 0.00 H new ATOM 0 HA GLU A 68 12.973 14.160 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.152 12.099 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.823 13.441 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.315 12.399 2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.270 10.947 2.601 1.00 0.00 H new ATOM 1034 N SER A 69 15.644 14.205 -0.350 1.00 0.00 N ATOM 1035 CA SER A 69 16.699 15.056 -0.890 1.00 0.00 C ATOM 1036 C SER A 69 16.125 16.365 -1.427 1.00 0.00 C ATOM 1037 O SER A 69 16.837 17.361 -1.551 1.00 0.00 O ATOM 1038 CB SER A 69 17.457 14.324 -2.000 1.00 0.00 C ATOM 1039 OG SER A 69 17.908 13.055 -1.558 1.00 0.00 O ATOM 0 H SER A 69 15.522 13.321 -0.843 1.00 0.00 H new ATOM 0 HA SER A 69 17.390 15.290 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.809 14.201 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.308 14.925 -2.321 1.00 0.00 H new ATOM 0 HG SER A 69 18.388 12.607 -2.286 1.00 0.00 H new ATOM 1045 N LYS A 70 14.835 16.354 -1.741 1.00 0.00 N ATOM 1046 CA LYS A 70 14.166 17.540 -2.263 1.00 0.00 C ATOM 1047 C LYS A 70 14.175 18.665 -1.232 1.00 0.00 C ATOM 1048 O LYS A 70 14.761 19.723 -1.461 1.00 0.00 O ATOM 1049 CB LYS A 70 12.726 17.207 -2.658 1.00 0.00 C ATOM 1050 CG LYS A 70 12.605 16.574 -4.034 1.00 0.00 C ATOM 1051 CD LYS A 70 12.787 17.602 -5.138 1.00 0.00 C ATOM 1052 CE LYS A 70 11.450 18.077 -5.684 1.00 0.00 C ATOM 1053 NZ LYS A 70 10.985 19.320 -5.008 1.00 0.00 N ATOM 0 H LYS A 70 14.231 15.538 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 70 14.709 17.875 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.302 16.530 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.131 18.120 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.352 15.788 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.628 16.101 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.348 18.454 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.378 17.169 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.539 18.258 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.705 17.292 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.114 19.659 -5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.795 19.120 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.721 20.051 -5.081 1.00 0.00 H new ATOM 1067 N LYS A 71 13.523 18.428 -0.098 1.00 0.00 N ATOM 1068 CA LYS A 71 13.457 19.420 0.967 1.00 0.00 C ATOM 1069 C LYS A 71 12.731 20.676 0.494 1.00 0.00 C ATOM 1070 O LYS A 71 13.336 21.567 -0.101 1.00 0.00 O ATOM 1071 CB LYS A 71 14.865 19.779 1.448 1.00 0.00 C ATOM 1072 CG LYS A 71 15.334 18.947 2.629 1.00 0.00 C ATOM 1073 CD LYS A 71 16.844 19.017 2.796 1.00 0.00 C ATOM 1074 CE LYS A 71 17.416 17.687 3.256 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.639 17.658 4.729 1.00 0.00 N ATOM 0 H LYS A 71 13.033 17.557 0.106 1.00 0.00 H new ATOM 0 HA LYS A 71 12.898 18.989 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.566 19.651 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.888 20.833 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.850 19.300 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.030 17.910 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.303 19.304 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.095 19.792 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.736 16.883 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.359 17.500 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.030 16.734 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.308 18.409 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.735 17.811 5.220 1.00 0.00 H new ATOM 1089 N ARG A 72 11.431 20.736 0.761 1.00 0.00 N ATOM 1090 CA ARG A 72 10.622 21.881 0.362 1.00 0.00 C ATOM 1091 C ARG A 72 10.430 22.844 1.530 1.00 0.00 C ATOM 1092 O ARG A 72 10.030 22.440 2.621 1.00 0.00 O ATOM 1093 CB ARG A 72 9.265 21.409 -0.176 1.00 0.00 C ATOM 1094 CG ARG A 72 8.260 21.049 0.907 1.00 0.00 C ATOM 1095 CD ARG A 72 7.521 22.279 1.404 1.00 0.00 C ATOM 1096 NE ARG A 72 6.128 22.296 0.967 1.00 0.00 N ATOM 1097 CZ ARG A 72 5.342 23.368 1.034 1.00 0.00 C ATOM 1098 NH1 ARG A 72 5.808 24.512 1.519 1.00 0.00 N ATOM 1099 NH2 ARG A 72 4.086 23.297 0.614 1.00 0.00 N ATOM 0 H ARG A 72 10.915 20.005 1.252 1.00 0.00 H new ATOM 0 HA ARG A 72 11.147 22.413 -0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.842 22.194 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.422 20.540 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.545 20.325 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.775 20.570 1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.559 22.309 2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.025 23.175 1.042 1.00 0.00 H new ATOM 0 HE ARG A 72 5.734 21.435 0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.773 24.573 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.201 25.330 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.722 22.421 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.484 24.119 0.665 1.00 0.00 H new ATOM 1113 N LYS A 73 10.719 24.119 1.293 1.00 0.00 N ATOM 1114 CA LYS A 73 10.577 25.138 2.325 1.00 0.00 C ATOM 1115 C LYS A 73 9.110 25.491 2.543 1.00 0.00 C ATOM 1116 O LYS A 73 8.285 25.341 1.641 1.00 0.00 O ATOM 1117 CB LYS A 73 11.369 26.391 1.944 1.00 0.00 C ATOM 1118 CG LYS A 73 12.710 26.497 2.650 1.00 0.00 C ATOM 1119 CD LYS A 73 13.667 25.406 2.197 1.00 0.00 C ATOM 1120 CE LYS A 73 13.942 25.488 0.705 1.00 0.00 C ATOM 1121 NZ LYS A 73 15.378 25.255 0.391 1.00 0.00 N ATOM 0 H LYS A 73 11.053 24.471 0.396 1.00 0.00 H new ATOM 0 HA LYS A 73 10.975 24.736 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.533 26.394 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.773 27.273 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.150 27.474 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.561 26.427 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.605 25.493 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.246 24.429 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.332 24.751 0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.644 26.469 0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.487 25.083 -0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.933 26.092 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.719 24.427 0.920 1.00 0.00 H new ATOM 1135 N ASP A 74 8.790 25.960 3.744 1.00 0.00 N ATOM 1136 CA ASP A 74 7.421 26.333 4.078 1.00 0.00 C ATOM 1137 C ASP A 74 7.225 27.838 3.974 1.00 0.00 C ATOM 1138 O ASP A 74 6.211 28.311 3.461 1.00 0.00 O ATOM 1139 CB ASP A 74 7.066 25.855 5.488 1.00 0.00 C ATOM 1140 CG ASP A 74 5.630 25.380 5.593 1.00 0.00 C ATOM 1141 OD1 ASP A 74 4.731 26.235 5.734 1.00 0.00 O ATOM 1142 OD2 ASP A 74 5.405 24.153 5.535 1.00 0.00 O ATOM 0 H ASP A 74 9.460 26.091 4.502 1.00 0.00 H new ATOM 0 HA ASP A 74 6.757 25.849 3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.736 25.044 5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.230 26.667 6.196 1.00 0.00 H new ATOM 1147 N ASN A 75 8.206 28.580 4.463 1.00 0.00 N ATOM 1148 CA ASN A 75 8.165 30.042 4.432 1.00 0.00 C ATOM 1149 C ASN A 75 9.254 30.642 5.314 1.00 0.00 C ATOM 1150 O ASN A 75 9.749 31.737 5.047 1.00 0.00 O ATOM 1151 CB ASN A 75 6.793 30.554 4.883 1.00 0.00 C ATOM 1152 CG ASN A 75 5.942 31.028 3.720 1.00 0.00 C ATOM 1153 OD1 ASN A 75 4.894 30.452 3.428 1.00 0.00 O ATOM 1154 ND2 ASN A 75 6.392 32.082 3.050 1.00 0.00 N ATOM 0 H ASN A 75 9.048 28.195 4.890 1.00 0.00 H new ATOM 0 HA ASN A 75 8.341 30.355 3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.268 29.760 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.928 31.374 5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.863 32.446 2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.266 32.528 3.328 1.00 0.00 H new ATOM 1161 N GLU A 76 9.619 29.922 6.365 1.00 0.00 N ATOM 1162 CA GLU A 76 10.646 30.385 7.291 1.00 0.00 C ATOM 1163 C GLU A 76 11.983 29.695 7.029 1.00 0.00 C ATOM 1164 O GLU A 76 12.849 29.652 7.903 1.00 0.00 O ATOM 1165 CB GLU A 76 10.207 30.135 8.735 1.00 0.00 C ATOM 1166 CG GLU A 76 10.739 31.164 9.719 1.00 0.00 C ATOM 1167 CD GLU A 76 10.885 30.608 11.122 1.00 0.00 C ATOM 1168 OE1 GLU A 76 9.882 30.603 11.866 1.00 0.00 O ATOM 1169 OE2 GLU A 76 12.003 30.178 11.476 1.00 0.00 O ATOM 0 H GLU A 76 9.219 29.013 6.599 1.00 0.00 H new ATOM 0 HA GLU A 76 10.779 31.455 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.118 30.131 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.542 29.144 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.707 31.526 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.067 32.022 9.740 1.00 0.00 H new ATOM 1176 N GLY A 77 12.149 29.157 5.823 1.00 0.00 N ATOM 1177 CA GLY A 77 13.386 28.482 5.477 1.00 0.00 C ATOM 1178 C GLY A 77 13.748 27.389 6.464 1.00 0.00 C ATOM 1179 O GLY A 77 14.924 27.178 6.761 1.00 0.00 O ATOM 0 H GLY A 77 11.449 29.177 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.294 28.051 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.195 29.212 5.435 1.00 0.00 H new ATOM 1183 N ASN A 78 12.736 26.695 6.976 1.00 0.00 N ATOM 1184 CA ASN A 78 12.958 25.621 7.939 1.00 0.00 C ATOM 1185 C ASN A 78 13.138 24.274 7.251 1.00 0.00 C ATOM 1186 O ASN A 78 13.341 23.256 7.912 1.00 0.00 O ATOM 1187 CB ASN A 78 11.796 25.549 8.930 1.00 0.00 C ATOM 1188 CG ASN A 78 11.761 26.739 9.868 1.00 0.00 C ATOM 1189 OD1 ASN A 78 12.779 27.391 10.101 1.00 0.00 O ATOM 1190 ND2 ASN A 78 10.585 27.029 10.413 1.00 0.00 N ATOM 0 H ASN A 78 11.757 26.856 6.741 1.00 0.00 H new ATOM 0 HA ASN A 78 13.879 25.848 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.856 25.496 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.876 24.632 9.514 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.500 27.819 11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.767 26.462 10.192 1.00 0.00 H new ATOM 1197 N GLU A 79 13.077 24.275 5.927 1.00 0.00 N ATOM 1198 CA GLU A 79 13.245 23.059 5.152 1.00 0.00 C ATOM 1199 C GLU A 79 12.271 21.969 5.595 1.00 0.00 C ATOM 1200 O GLU A 79 12.394 21.418 6.688 1.00 0.00 O ATOM 1201 CB GLU A 79 14.683 22.564 5.273 1.00 0.00 C ATOM 1202 CG GLU A 79 15.147 21.738 4.084 1.00 0.00 C ATOM 1203 CD GLU A 79 16.039 22.523 3.142 1.00 0.00 C ATOM 1204 OE1 GLU A 79 17.228 22.718 3.475 1.00 0.00 O ATOM 1205 OE2 GLU A 79 15.550 22.944 2.074 1.00 0.00 O ATOM 0 H GLU A 79 12.911 25.111 5.366 1.00 0.00 H new ATOM 0 HA GLU A 79 13.027 23.290 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.345 23.422 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.777 21.965 6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.686 20.862 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.277 21.375 3.537 1.00 0.00 H new ATOM 1212 N VAL A 80 11.302 21.660 4.738 1.00 0.00 N ATOM 1213 CA VAL A 80 10.311 20.636 5.046 1.00 0.00 C ATOM 1214 C VAL A 80 10.447 19.429 4.127 1.00 0.00 C ATOM 1215 O VAL A 80 10.568 19.571 2.910 1.00 0.00 O ATOM 1216 CB VAL A 80 8.882 21.180 4.936 1.00 0.00 C ATOM 1217 CG1 VAL A 80 7.891 20.216 5.570 1.00 0.00 C ATOM 1218 CG2 VAL A 80 8.778 22.561 5.566 1.00 0.00 C ATOM 0 H VAL A 80 11.183 22.103 3.827 1.00 0.00 H new ATOM 0 HA VAL A 80 10.500 20.329 6.075 1.00 0.00 H new ATOM 0 HB VAL A 80 8.633 21.275 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.883 20.620 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.942 19.254 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.137 20.082 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.755 22.926 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.050 22.502 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.454 23.246 5.055 1.00 0.00 H new ATOM 1228 N VAL A 81 10.419 18.239 4.719 1.00 0.00 N ATOM 1229 CA VAL A 81 10.531 17.002 3.957 1.00 0.00 C ATOM 1230 C VAL A 81 9.178 16.298 3.873 1.00 0.00 C ATOM 1231 O VAL A 81 8.872 15.428 4.689 1.00 0.00 O ATOM 1232 CB VAL A 81 11.560 16.045 4.587 1.00 0.00 C ATOM 1233 CG1 VAL A 81 11.741 14.805 3.722 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.890 16.755 4.795 1.00 0.00 C ATOM 0 H VAL A 81 10.320 18.106 5.725 1.00 0.00 H new ATOM 0 HA VAL A 81 10.867 17.269 2.955 1.00 0.00 H new ATOM 0 HB VAL A 81 11.184 15.728 5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.472 14.142 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.788 14.285 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.093 15.099 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.605 16.064 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.271 17.102 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.747 17.608 5.459 1.00 0.00 H new ATOM 1244 N PRO A 82 8.342 16.669 2.885 1.00 0.00 N ATOM 1245 CA PRO A 82 7.016 16.079 2.701 1.00 0.00 C ATOM 1246 C PRO A 82 7.023 14.560 2.851 1.00 0.00 C ATOM 1247 O PRO A 82 7.941 13.884 2.388 1.00 0.00 O ATOM 1248 CB PRO A 82 6.625 16.478 1.268 1.00 0.00 C ATOM 1249 CG PRO A 82 7.796 17.221 0.706 1.00 0.00 C ATOM 1250 CD PRO A 82 8.611 17.694 1.874 1.00 0.00 C ATOM 0 HA PRO A 82 6.315 16.434 3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.398 15.597 0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.732 17.102 1.268 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.388 16.575 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.464 18.064 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.672 17.755 1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.303 18.685 2.209 1.00 0.00 H new ATOM 1258 N LYS A 83 5.989 14.034 3.500 1.00 0.00 N ATOM 1259 CA LYS A 83 5.868 12.595 3.715 1.00 0.00 C ATOM 1260 C LYS A 83 5.853 11.842 2.392 1.00 0.00 C ATOM 1261 O LYS A 83 5.679 12.432 1.326 1.00 0.00 O ATOM 1262 CB LYS A 83 4.598 12.283 4.509 1.00 0.00 C ATOM 1263 CG LYS A 83 3.327 12.798 3.852 1.00 0.00 C ATOM 1264 CD LYS A 83 2.142 12.727 4.801 1.00 0.00 C ATOM 1265 CE LYS A 83 1.584 11.316 4.891 1.00 0.00 C ATOM 1266 NZ LYS A 83 0.205 11.298 5.450 1.00 0.00 N ATOM 0 H LYS A 83 5.221 14.583 3.887 1.00 0.00 H new ATOM 0 HA LYS A 83 6.736 12.266 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.518 11.204 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.685 12.719 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.475 13.829 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.115 12.211 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.448 13.062 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.361 13.407 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.579 10.864 3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.237 10.707 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.139 10.317 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.213 11.706 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.424 11.858 4.840 1.00 0.00 H new ATOM 1280 N PRO A 84 6.056 10.519 2.452 1.00 0.00 N ATOM 1281 CA PRO A 84 6.092 9.651 1.278 1.00 0.00 C ATOM 1282 C PRO A 84 4.695 9.261 0.802 1.00 0.00 C ATOM 1283 O PRO A 84 3.731 9.314 1.566 1.00 0.00 O ATOM 1284 CB PRO A 84 6.862 8.413 1.780 1.00 0.00 C ATOM 1285 CG PRO A 84 7.275 8.739 3.185 1.00 0.00 C ATOM 1286 CD PRO A 84 6.292 9.749 3.670 1.00 0.00 C ATOM 0 HA PRO A 84 6.554 10.138 0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.234 7.523 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.730 8.210 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.263 7.848 3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.290 9.136 3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.380 9.287 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.696 10.364 4.474 1.00 0.00 H new ATOM 1311 N ARG A 86 1.926 6.780 0.000 1.00 0.00 N ATOM 1312 CA ARG A 86 1.518 5.428 0.363 1.00 0.00 C ATOM 1313 C ARG A 86 0.185 5.074 -0.285 1.00 0.00 C ATOM 1314 O ARG A 86 -0.711 5.913 -0.378 1.00 0.00 O ATOM 1315 CB ARG A 86 1.406 5.297 1.883 1.00 0.00 C ATOM 1316 CG ARG A 86 2.551 5.956 2.638 1.00 0.00 C ATOM 1317 CD ARG A 86 2.092 7.207 3.369 1.00 0.00 C ATOM 1318 NE ARG A 86 3.078 7.664 4.345 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.369 7.010 5.467 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.752 5.872 5.760 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.279 7.497 6.300 1.00 0.00 N ATOM 0 HA ARG A 86 2.277 4.736 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.465 5.740 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.369 4.240 2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.970 5.249 3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.348 6.213 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.903 8.000 2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.148 7.005 3.875 1.00 0.00 H new ATOM 0 HE ARG A 86 3.573 8.536 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.050 5.494 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.980 5.376 6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.755 8.372 6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.503 6.997 7.160 1.00 0.00 H new ATOM 1335 N HIS A 87 0.053 3.827 -0.730 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.179 3.376 -1.363 1.00 0.00 C ATOM 1337 C HIS A 87 -2.035 2.612 -0.361 1.00 0.00 C ATOM 1338 O HIS A 87 -1.673 1.520 0.071 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.860 2.495 -2.572 1.00 0.00 C ATOM 1340 CG HIS A 87 0.327 2.966 -3.354 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.227 3.805 -4.444 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.647 2.718 -3.191 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.435 4.053 -4.918 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.314 3.407 -4.176 1.00 0.00 N ATOM 0 H HIS A 87 0.781 3.116 -0.664 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.738 4.247 -1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.680 1.475 -2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.729 2.463 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.093 2.095 -2.430 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.664 4.678 -5.768 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.325 3.417 -4.311 1.00 0.00 H new ATOM 1353 N MET A 88 -3.165 3.201 0.016 1.00 0.00 N ATOM 1354 CA MET A 88 -4.062 2.580 0.983 1.00 0.00 C ATOM 1355 C MET A 88 -5.166 1.788 0.295 1.00 0.00 C ATOM 1356 O MET A 88 -5.786 2.259 -0.658 1.00 0.00 O ATOM 1357 CB MET A 88 -4.679 3.647 1.891 1.00 0.00 C ATOM 1358 CG MET A 88 -5.212 3.095 3.202 1.00 0.00 C ATOM 1359 SD MET A 88 -5.185 4.315 4.530 1.00 0.00 S ATOM 1360 CE MET A 88 -5.884 3.363 5.876 1.00 0.00 C ATOM 0 H MET A 88 -3.481 4.106 -0.333 1.00 0.00 H new ATOM 0 HA MET A 88 -3.473 1.887 1.583 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.929 4.408 2.105 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.491 4.141 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.234 2.745 3.056 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.618 2.230 3.496 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.934 3.982 6.772 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.888 3.034 5.606 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.257 2.493 6.070 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.409 0.581 0.795 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.441 -0.284 0.244 1.00 0.00 C ATOM 1372 C PHE A 89 -7.265 -0.917 1.360 1.00 0.00 C ATOM 1373 O PHE A 89 -6.743 -1.685 2.167 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.813 -1.380 -0.619 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.882 -0.860 -1.676 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.355 -0.532 -2.936 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.531 -0.708 -1.411 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.498 -0.061 -3.912 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.670 -0.237 -2.383 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.153 0.086 -3.635 1.00 0.00 C ATOM 0 H PHE A 89 -4.902 0.180 1.584 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.098 0.325 -0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.267 -2.069 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.607 -1.953 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.406 -0.646 -3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.147 -0.960 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.879 0.192 -4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.619 -0.121 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.481 0.453 -4.396 1.00 0.00 H new ATOM 1390 N SER A 90 -8.553 -0.597 1.402 1.00 0.00 N ATOM 1391 CA SER A 90 -9.440 -1.146 2.423 1.00 0.00 C ATOM 1392 C SER A 90 -10.107 -2.418 1.921 1.00 0.00 C ATOM 1393 O SER A 90 -10.889 -2.389 0.970 1.00 0.00 O ATOM 1394 CB SER A 90 -10.503 -0.122 2.819 1.00 0.00 C ATOM 1395 OG SER A 90 -10.842 -0.242 4.190 1.00 0.00 O ATOM 0 H SER A 90 -9.006 0.037 0.744 1.00 0.00 H new ATOM 0 HA SER A 90 -8.840 -1.386 3.301 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.135 0.884 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.394 -0.263 2.207 1.00 0.00 H new ATOM 0 HG SER A 90 -10.105 0.097 4.740 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.787 -3.535 2.559 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.345 -4.823 2.169 1.00 0.00 C ATOM 1403 C PHE A 91 -11.646 -5.120 2.904 1.00 0.00 C ATOM 1404 O PHE A 91 -11.754 -4.913 4.113 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.331 -5.932 2.436 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.315 -6.072 1.346 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.487 -5.012 1.013 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.193 -7.259 0.648 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.555 -5.136 0.002 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.263 -7.391 -0.362 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.441 -6.327 -0.687 1.00 0.00 C ATOM 0 H PHE A 91 -9.144 -3.576 3.349 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.568 -4.780 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.820 -5.730 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.859 -6.878 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.572 -4.079 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.833 -8.093 0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.916 -4.302 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.177 -8.324 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.712 -6.428 -1.478 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.626 -5.621 2.161 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.923 -5.970 2.729 1.00 0.00 C ATOM 1423 C ASN A 92 -14.016 -7.476 2.950 1.00 0.00 C ATOM 1424 O ASN A 92 -15.102 -8.055 2.921 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.049 -5.506 1.802 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.549 -4.117 2.148 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.760 -3.202 2.382 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.866 -3.955 2.184 1.00 0.00 N ATOM 0 H ASN A 92 -12.546 -5.795 1.159 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.028 -5.467 3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.694 -5.515 0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.877 -6.212 1.860 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.262 -3.043 2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.482 -4.742 1.983 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.863 -8.103 3.165 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.797 -9.543 3.385 1.00 0.00 C ATOM 1437 C ASN A 93 -11.374 -9.968 3.719 1.00 0.00 C ATOM 1438 O ASN A 93 -10.480 -9.896 2.877 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.286 -10.291 2.144 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.744 -10.695 2.245 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.369 -10.552 3.295 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.291 -11.204 1.148 1.00 0.00 N ATOM 0 H ASN A 93 -11.958 -7.633 3.191 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.443 -9.791 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.147 -9.660 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.675 -11.182 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.269 -11.495 1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.734 -11.304 0.299 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.170 -10.416 4.953 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.854 -10.859 5.395 1.00 0.00 C ATOM 1451 C ARG A 94 -9.312 -11.951 4.481 1.00 0.00 C ATOM 1452 O ARG A 94 -8.111 -12.208 4.453 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.917 -11.367 6.837 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.549 -11.611 7.456 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.453 -11.026 8.857 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.466 -12.064 9.886 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.573 -12.649 10.336 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.760 -12.304 9.852 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.494 -13.585 11.273 1.00 0.00 N ATOM 0 H ARG A 94 -11.899 -10.482 5.664 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.179 -10.005 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.458 -10.642 7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.489 -12.295 6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.353 -12.683 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.779 -11.169 6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.537 -10.441 8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.285 -10.342 9.022 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.573 -12.357 10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.828 -11.586 9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.605 -12.757 10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.585 -13.856 11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.342 -14.034 11.618 1.00 0.00 H new ATOM 1473 N THR A 95 -10.204 -12.590 3.734 1.00 0.00 N ATOM 1474 CA THR A 95 -9.820 -13.640 2.826 1.00 0.00 C ATOM 1475 C THR A 95 -9.047 -13.075 1.642 1.00 0.00 C ATOM 1476 O THR A 95 -7.980 -13.577 1.289 1.00 0.00 O ATOM 1477 CB THR A 95 -11.068 -14.360 2.356 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.169 -14.065 3.199 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.915 -15.856 2.321 1.00 0.00 C ATOM 0 H THR A 95 -11.204 -12.390 3.747 1.00 0.00 H new ATOM 0 HA THR A 95 -9.165 -14.343 3.340 1.00 0.00 H new ATOM 0 HB THR A 95 -11.239 -14.001 1.341 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.656 -13.293 2.843 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.844 -16.309 1.976 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.107 -16.123 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.683 -16.222 3.321 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.580 -12.016 1.044 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.916 -11.378 -0.087 1.00 0.00 C ATOM 1489 C VAL A 96 -7.622 -10.741 0.382 1.00 0.00 C ATOM 1490 O VAL A 96 -6.574 -10.888 -0.248 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.782 -10.292 -0.769 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.657 -10.388 -2.281 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.238 -10.395 -0.340 1.00 0.00 C ATOM 0 H VAL A 96 -10.462 -11.584 1.320 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.731 -12.160 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.413 -9.317 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.272 -9.618 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.616 -10.245 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.994 -11.370 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.819 -9.618 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.630 -11.374 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.309 -10.267 0.740 1.00 0.00 H new ATOM 1503 N MET A 97 -7.701 -10.040 1.508 1.00 0.00 N ATOM 1504 CA MET A 97 -6.531 -9.390 2.076 1.00 0.00 C ATOM 1505 C MET A 97 -5.504 -10.440 2.481 1.00 0.00 C ATOM 1506 O MET A 97 -4.300 -10.240 2.321 1.00 0.00 O ATOM 1507 CB MET A 97 -6.929 -8.515 3.270 1.00 0.00 C ATOM 1508 CG MET A 97 -6.931 -9.235 4.609 1.00 0.00 C ATOM 1509 SD MET A 97 -5.362 -9.083 5.480 1.00 0.00 S ATOM 1510 CE MET A 97 -5.888 -8.161 6.919 1.00 0.00 C ATOM 0 H MET A 97 -8.560 -9.909 2.042 1.00 0.00 H new ATOM 0 HA MET A 97 -6.083 -8.740 1.324 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.244 -7.669 3.328 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.924 -8.108 3.090 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.729 -8.832 5.233 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.153 -10.290 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.013 -7.827 7.477 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.469 -7.295 6.604 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.502 -8.798 7.555 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.990 -11.573 2.987 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.108 -12.660 3.387 1.00 0.00 C ATOM 1522 C ASP A 98 -4.319 -13.157 2.185 1.00 0.00 C ATOM 1523 O ASP A 98 -3.176 -13.589 2.311 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.910 -13.809 4.002 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.058 -13.672 5.505 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.217 -12.988 6.125 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.017 -14.248 6.062 1.00 0.00 O ATOM 0 H ASP A 98 -6.983 -11.758 3.128 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.414 -12.285 4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.899 -13.844 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.419 -14.755 3.773 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.944 -13.076 1.018 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.313 -13.499 -0.225 1.00 0.00 C ATOM 1534 C ASN A 99 -3.404 -12.399 -0.764 1.00 0.00 C ATOM 1535 O ASN A 99 -2.223 -12.625 -1.022 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.374 -13.858 -1.267 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.364 -14.885 -0.753 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -6.011 -15.767 0.030 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.612 -14.777 -1.192 1.00 0.00 N ATOM 0 H ASN A 99 -5.893 -12.719 0.906 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.709 -14.383 -0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.910 -12.956 -1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.885 -14.244 -2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.321 -15.440 -0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.862 -14.030 -1.841 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.967 -11.203 -0.925 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.212 -10.059 -1.427 1.00 0.00 C ATOM 1548 C ILE A 100 -2.003 -9.776 -0.544 1.00 0.00 C ATOM 1549 O ILE A 100 -0.861 -9.805 -1.002 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.089 -8.789 -1.484 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.228 -8.965 -2.489 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.246 -7.568 -1.833 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.792 -8.855 -3.931 1.00 0.00 C ATOM 0 H ILE A 100 -4.945 -11.002 -0.715 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.881 -10.314 -2.434 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.526 -8.631 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.691 -9.939 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.993 -8.214 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.883 -6.684 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.475 -7.430 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.777 -7.716 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.655 -8.991 -4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.357 -7.871 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.050 -9.624 -4.146 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.271 -9.493 0.726 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.218 -9.192 1.687 1.00 0.00 C ATOM 1567 C LYS A 101 -0.135 -10.268 1.677 1.00 0.00 C ATOM 1568 O LYS A 101 1.049 -9.970 1.825 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.810 -9.075 3.092 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.816 -8.592 4.134 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.292 -9.741 4.980 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.405 -10.393 5.785 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.893 -11.017 7.036 1.00 0.00 N ATOM 0 H LYS A 101 -3.214 -9.466 1.115 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.763 -8.244 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.656 -8.389 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.198 -10.047 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.018 -8.094 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.293 -7.853 4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.176 -10.485 4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.480 -9.374 5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.159 -9.646 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.897 -11.151 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.682 -11.450 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.192 -11.748 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.446 -10.289 7.629 1.00 0.00 H new ATOM 1587 N MET A 102 -0.551 -11.519 1.508 1.00 0.00 N ATOM 1588 CA MET A 102 0.382 -12.636 1.490 1.00 0.00 C ATOM 1589 C MET A 102 1.039 -12.783 0.125 1.00 0.00 C ATOM 1590 O MET A 102 2.162 -13.275 0.020 1.00 0.00 O ATOM 1591 CB MET A 102 -0.329 -13.937 1.865 1.00 0.00 C ATOM 1592 CG MET A 102 -0.580 -14.084 3.357 1.00 0.00 C ATOM 1593 SD MET A 102 -0.967 -15.780 3.834 1.00 0.00 S ATOM 1594 CE MET A 102 -2.295 -16.160 2.695 1.00 0.00 C ATOM 0 H MET A 102 -1.528 -11.783 1.382 1.00 0.00 H new ATOM 0 HA MET A 102 1.159 -12.429 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.282 -13.986 1.338 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.269 -14.781 1.521 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.301 -13.749 3.904 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.403 -13.432 3.649 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.546 -17.218 2.768 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.171 -15.562 2.945 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.978 -15.932 1.677 1.00 0.00 H new ATOM 1604 N THR A 103 0.343 -12.352 -0.924 1.00 0.00 N ATOM 1605 CA THR A 103 0.882 -12.445 -2.262 1.00 0.00 C ATOM 1606 C THR A 103 1.832 -11.280 -2.521 1.00 0.00 C ATOM 1607 O THR A 103 2.807 -11.414 -3.260 1.00 0.00 O ATOM 1608 CB THR A 103 -0.261 -12.475 -3.280 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.615 -13.811 -3.592 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.060 -11.774 -4.575 1.00 0.00 C ATOM 0 H THR A 103 -0.588 -11.939 -0.866 1.00 0.00 H new ATOM 0 HA THR A 103 1.450 -13.369 -2.366 1.00 0.00 H new ATOM 0 HB THR A 103 -1.083 -11.944 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.348 -13.812 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.797 -11.837 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.288 -10.727 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.922 -12.250 -5.042 1.00 0.00 H new ATOM 1618 N LEU A 104 1.548 -10.141 -1.896 1.00 0.00 N ATOM 1619 CA LEU A 104 2.387 -8.963 -2.047 1.00 0.00 C ATOM 1620 C LEU A 104 3.769 -9.230 -1.462 1.00 0.00 C ATOM 1621 O LEU A 104 4.782 -9.093 -2.147 1.00 0.00 O ATOM 1622 CB LEU A 104 1.748 -7.754 -1.356 1.00 0.00 C ATOM 1623 CG LEU A 104 0.469 -7.226 -2.011 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.336 -6.400 -1.022 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.799 -6.397 -3.242 1.00 0.00 C ATOM 0 H LEU A 104 0.744 -10.012 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 104 2.486 -8.741 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.523 -8.023 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.480 -6.947 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.132 -8.081 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.241 -6.033 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.607 -7.019 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.262 -5.554 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.124 -6.031 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.423 -5.551 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.335 -7.014 -3.963 1.00 0.00 H new ATOM 1637 N GLN A 105 3.800 -9.620 -0.188 1.00 0.00 N ATOM 1638 CA GLN A 105 5.059 -9.915 0.488 1.00 0.00 C ATOM 1639 C GLN A 105 5.774 -11.083 -0.179 1.00 0.00 C ATOM 1640 O GLN A 105 7.001 -11.096 -0.271 1.00 0.00 O ATOM 1641 CB GLN A 105 4.827 -10.220 1.972 1.00 0.00 C ATOM 1642 CG GLN A 105 3.747 -11.258 2.232 1.00 0.00 C ATOM 1643 CD GLN A 105 3.053 -11.047 3.564 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.903 -11.979 4.354 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.624 -9.816 3.819 1.00 0.00 N ATOM 0 H GLN A 105 2.970 -9.738 0.393 1.00 0.00 H new ATOM 0 HA GLN A 105 5.690 -9.030 0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.762 -10.567 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.558 -9.296 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.009 -11.220 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.190 -12.254 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.770 -9.073 3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.149 -9.613 4.699 1.00 0.00 H new ATOM 1654 N GLN A 106 5.005 -12.062 -0.658 1.00 0.00 N ATOM 1655 CA GLN A 106 5.586 -13.221 -1.330 1.00 0.00 C ATOM 1656 C GLN A 106 6.560 -12.759 -2.407 1.00 0.00 C ATOM 1657 O GLN A 106 7.611 -13.363 -2.620 1.00 0.00 O ATOM 1658 CB GLN A 106 4.488 -14.091 -1.946 1.00 0.00 C ATOM 1659 CG GLN A 106 4.156 -15.324 -1.124 1.00 0.00 C ATOM 1660 CD GLN A 106 3.993 -16.568 -1.977 1.00 0.00 C ATOM 1661 OE1 GLN A 106 4.861 -17.441 -1.995 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.877 -16.654 -2.691 1.00 0.00 N ATOM 0 H GLN A 106 3.987 -12.075 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 106 6.125 -13.819 -0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.586 -13.491 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.799 -14.402 -2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.946 -15.491 -0.392 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.236 -15.147 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.184 -15.907 -2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.713 -17.467 -3.284 1.00 0.00 H new ATOM 1671 N ILE A 107 6.200 -11.664 -3.064 1.00 0.00 N ATOM 1672 CA ILE A 107 7.028 -11.076 -4.105 1.00 0.00 C ATOM 1673 C ILE A 107 8.054 -10.139 -3.487 1.00 0.00 C ATOM 1674 O ILE A 107 9.252 -10.254 -3.741 1.00 0.00 O ATOM 1675 CB ILE A 107 6.174 -10.302 -5.122 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.940 -11.116 -5.520 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.008 -9.964 -6.339 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.857 -10.288 -6.177 1.00 0.00 C ATOM 0 H ILE A 107 5.330 -11.161 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 107 7.538 -11.886 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 107 5.831 -9.375 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.243 -11.910 -6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.530 -11.597 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.398 -9.415 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.857 -9.349 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.370 -10.884 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.013 -10.929 -6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.526 -9.510 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.250 -9.828 -7.083 1.00 0.00 H new ATOM 1690 N ILE A 108 7.568 -9.218 -2.662 1.00 0.00 N ATOM 1691 CA ILE A 108 8.427 -8.253 -1.975 1.00 0.00 C ATOM 1692 C ILE A 108 9.681 -8.917 -1.441 1.00 0.00 C ATOM 1693 O ILE A 108 10.797 -8.537 -1.785 1.00 0.00 O ATOM 1694 CB ILE A 108 7.696 -7.579 -0.797 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.361 -6.983 -1.270 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.591 -6.522 -0.154 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.161 -5.519 -0.925 1.00 0.00 C ATOM 0 H ILE A 108 6.575 -9.117 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 108 8.695 -7.498 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 108 7.473 -8.329 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.290 -7.100 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.546 -7.560 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.062 -6.054 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.502 -6.993 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.848 -5.764 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.192 -5.186 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.196 -5.392 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.951 -4.925 -1.386 1.00 0.00 H new ATOM 1709 N SER A 109 9.478 -9.914 -0.602 1.00 0.00 N ATOM 1710 CA SER A 109 10.584 -10.658 -0.004 1.00 0.00 C ATOM 1711 C SER A 109 11.614 -11.056 -1.059 1.00 0.00 C ATOM 1712 O SER A 109 12.792 -11.244 -0.753 1.00 0.00 O ATOM 1713 CB SER A 109 10.062 -11.904 0.713 1.00 0.00 C ATOM 1714 OG SER A 109 8.816 -11.649 1.339 1.00 0.00 O ATOM 0 H SER A 109 8.553 -10.234 -0.314 1.00 0.00 H new ATOM 0 HA SER A 109 11.071 -10.007 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.953 -12.720 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.787 -12.229 1.459 1.00 0.00 H new ATOM 0 HG SER A 109 8.088 -11.890 0.729 1.00 0.00 H new ATOM 1720 N ARG A 110 11.159 -11.178 -2.300 1.00 0.00 N ATOM 1721 CA ARG A 110 12.033 -11.549 -3.404 1.00 0.00 C ATOM 1722 C ARG A 110 12.938 -10.388 -3.806 1.00 0.00 C ATOM 1723 O ARG A 110 14.017 -10.598 -4.353 1.00 0.00 O ATOM 1724 CB ARG A 110 11.212 -12.013 -4.608 1.00 0.00 C ATOM 1725 CG ARG A 110 10.118 -13.005 -4.253 1.00 0.00 C ATOM 1726 CD ARG A 110 9.593 -13.722 -5.487 1.00 0.00 C ATOM 1727 NE ARG A 110 10.407 -14.885 -5.833 1.00 0.00 N ATOM 1728 CZ ARG A 110 10.095 -15.748 -6.796 1.00 0.00 C ATOM 1729 NH1 ARG A 110 8.989 -15.584 -7.512 1.00 0.00 N ATOM 1730 NH2 ARG A 110 10.891 -16.779 -7.045 1.00 0.00 N ATOM 0 H ARG A 110 10.187 -11.025 -2.567 1.00 0.00 H new ATOM 0 HA ARG A 110 12.662 -12.372 -3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.761 -11.144 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.880 -12.468 -5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.505 -13.736 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.299 -12.483 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.565 -14.038 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.575 -13.029 -6.328 1.00 0.00 H new ATOM 0 HE ARG A 110 11.265 -15.045 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.373 -14.793 -7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.755 -16.249 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.742 -16.910 -6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 110 10.652 -17.441 -7.783 1.00 0.00 H new ATOM 1744 N TYR A 111 12.498 -9.166 -3.525 1.00 0.00 N ATOM 1745 CA TYR A 111 13.285 -7.983 -3.858 1.00 0.00 C ATOM 1746 C TYR A 111 14.434 -7.844 -2.875 1.00 0.00 C ATOM 1747 O TYR A 111 15.535 -7.429 -3.236 1.00 0.00 O ATOM 1748 CB TYR A 111 12.439 -6.701 -3.830 1.00 0.00 C ATOM 1749 CG TYR A 111 10.993 -6.852 -4.271 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.551 -7.960 -4.990 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.065 -5.863 -3.962 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.235 -8.074 -5.380 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.746 -5.972 -4.352 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.335 -7.077 -5.059 1.00 0.00 C ATOM 1755 OH TYR A 111 7.021 -7.185 -5.447 1.00 0.00 O ATOM 0 H TYR A 111 11.606 -8.969 -3.070 1.00 0.00 H new ATOM 0 HA TYR A 111 13.663 -8.114 -4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.450 -6.304 -2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.918 -5.958 -4.468 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.251 -8.742 -5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.383 -4.993 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.908 -8.941 -5.935 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.040 -5.193 -4.103 1.00 0.00 H new ATOM 0 HH TYR A 111 6.459 -7.341 -4.659 1.00 0.00 H new ATOM 1765 N LYS A 112 14.166 -8.219 -1.629 1.00 0.00 N ATOM 1766 CA LYS A 112 15.171 -8.167 -0.582 1.00 0.00 C ATOM 1767 C LYS A 112 16.029 -9.397 -0.704 1.00 0.00 C ATOM 1768 O LYS A 112 17.257 -9.346 -0.637 1.00 0.00 O ATOM 1769 CB LYS A 112 14.556 -8.103 0.823 1.00 0.00 C ATOM 1770 CG LYS A 112 13.070 -8.368 0.847 1.00 0.00 C ATOM 1771 CD LYS A 112 12.328 -7.253 0.152 1.00 0.00 C ATOM 1772 CE LYS A 112 12.361 -5.981 0.962 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.133 -5.161 0.772 1.00 0.00 N ATOM 0 H LYS A 112 13.256 -8.563 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 112 15.757 -7.257 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.056 -8.830 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.748 -7.118 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.855 -9.318 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.726 -8.456 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.772 -7.074 -0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.293 -7.552 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.471 -6.228 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.235 -5.394 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.343 -4.166 0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.812 -5.240 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.385 -5.504 1.408 1.00 0.00 H new ATOM 1787 N ASP A 113 15.344 -10.507 -0.923 1.00 0.00 N ATOM 1788 CA ASP A 113 16.002 -11.787 -1.107 1.00 0.00 C ATOM 1789 C ASP A 113 16.892 -11.713 -2.336 1.00 0.00 C ATOM 1790 O ASP A 113 17.945 -12.347 -2.400 1.00 0.00 O ATOM 1791 CB ASP A 113 14.972 -12.909 -1.261 1.00 0.00 C ATOM 1792 CG ASP A 113 15.615 -14.281 -1.311 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.080 -14.680 -2.400 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.654 -14.956 -0.261 1.00 0.00 O ATOM 0 H ASP A 113 14.326 -10.546 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 113 16.608 -12.009 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.269 -12.870 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.396 -12.747 -2.172 1.00 0.00 H new ATOM 1799 N ALA A 114 16.461 -10.908 -3.302 1.00 0.00 N ATOM 1800 CA ALA A 114 17.215 -10.712 -4.525 1.00 0.00 C ATOM 1801 C ALA A 114 18.142 -9.508 -4.399 1.00 0.00 C ATOM 1802 O ALA A 114 19.101 -9.368 -5.157 1.00 0.00 O ATOM 1803 CB ALA A 114 16.284 -10.546 -5.715 1.00 0.00 C ATOM 0 H ALA A 114 15.589 -10.381 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 114 17.825 -11.600 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.873 -10.400 -6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.668 -11.439 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.642 -9.679 -5.557 1.00 0.00 H new