USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.7) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0231 USER MOD Set 2.1: A 74 ASN : amide:sc= -3.65! C(o=-3.8!,f=-6.2!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.124 X(o=-3.8,f=-3.7) USER MOD Set 3.1: A 65 ASN : amide:sc= 0 X(o=0.0092,f=-0.028) USER MOD Set 3.2: A 72 SER OG : rot 93:sc= 0.00922 USER MOD Set 4.1: A 51 THR OG1 : rot -27:sc= 0.485 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 46 ASN :FLIP amide:sc= 0.247 F(o=-0.66,f=0.84) USER MOD Set 5.2: A 50 SER OG : rot 34:sc= 0.592 USER MOD Set 6.1: A 24 SER OG : rot -25:sc= 1.24 USER MOD Set 6.2: A 27 ASN :FLIP amide:sc= -1.25! C(o=-4.8!,f=-0.01!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -157:sc= -11.2! (180deg=-12.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= 0.538 F(o=0,f=0.54) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -99:sc= -1.6! USER MOD Single : A 37 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.3) USER MOD Single : A 39 ASN : amide:sc= -0.177 K(o=-0.18,f=-3.8) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 43 THR OG1 : rot 7:sc= 0.769! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.4) USER MOD Single : A 59 ASN : amide:sc= -1.28! C(o=-1.3!,f=-6.5!) USER MOD Single : A 60 SER OG : rot -42:sc= -0.28 USER MOD Single : A 69 THR OG1 : rot 76:sc= 0.116 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0309 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.946 USER MOD Single : A 93 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.15) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -43:sc= 0.0281 USER MOD Single : A 103 ASN : amide:sc= -5.3! C(o=-5.3!,f=-5.7!) USER MOD Single : A 105 MET CE :methyl -139:sc= -1.02 (180deg=-3.27!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 116 LYS NZ :NH3+ -115:sc= -0.0303 (180deg=-0.626) USER MOD Single : A 118 THR OG1 : rot -63:sc= 1.1 USER MOD Single : A 121 GLN : amide:sc= -0.0659 X(o=-0.066,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.033 -10.418 2.566 1.00 0.00 N ATOM 2 CA LYS A 1 -5.986 -10.956 1.659 1.00 0.00 C ATOM 3 C LYS A 1 -4.940 -9.895 1.334 1.00 0.00 C ATOM 4 O LYS A 1 -5.091 -9.132 0.381 1.00 0.00 O ATOM 5 CB LYS A 1 -6.657 -11.446 0.375 1.00 0.00 C ATOM 6 CG LYS A 1 -6.334 -12.891 0.033 1.00 0.00 C ATOM 7 CD LYS A 1 -7.126 -13.368 -1.174 1.00 0.00 C ATOM 8 CE LYS A 1 -6.438 -14.534 -1.866 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.304 -15.746 -1.906 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.731 -11.161 2.770 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.594 -10.102 3.454 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.508 -9.613 2.109 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.474 -11.781 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.737 -11.338 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.348 -10.808 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.267 -12.989 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.556 -13.527 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.125 -13.669 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.248 -12.546 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.170 -14.246 -2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.509 -14.768 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.799 -16.518 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.539 -16.037 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.179 -15.530 -2.425 1.00 0.00 H new ATOM 25 N VAL A 2 -3.880 -9.850 2.135 1.00 0.00 N ATOM 26 CA VAL A 2 -2.807 -8.881 1.938 1.00 0.00 C ATOM 27 C VAL A 2 -1.608 -9.526 1.247 1.00 0.00 C ATOM 28 O VAL A 2 -1.312 -10.701 1.468 1.00 0.00 O ATOM 29 CB VAL A 2 -2.353 -8.277 3.288 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.068 -7.480 3.130 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.444 -7.399 3.877 1.00 0.00 C ATOM 0 H VAL A 2 -3.741 -10.475 2.929 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.199 -8.086 1.304 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.160 -9.104 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.774 -7.068 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.278 -8.133 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.229 -6.667 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.104 -6.984 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.670 -6.587 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.341 -7.995 4.042 1.00 0.00 H new ATOM 41 N PHE A 3 -0.901 -8.744 0.432 1.00 0.00 N ATOM 42 CA PHE A 3 0.281 -9.227 -0.262 1.00 0.00 C ATOM 43 C PHE A 3 1.440 -9.372 0.712 1.00 0.00 C ATOM 44 O PHE A 3 1.428 -8.792 1.798 1.00 0.00 O ATOM 45 CB PHE A 3 0.697 -8.246 -1.362 1.00 0.00 C ATOM 46 CG PHE A 3 -0.171 -8.267 -2.580 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.337 -9.428 -3.313 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.812 -7.114 -3.002 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.125 -9.440 -4.446 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.603 -7.120 -4.130 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.760 -8.284 -4.856 1.00 0.00 C ATOM 0 H PHE A 3 -1.132 -7.769 0.239 1.00 0.00 H new ATOM 0 HA PHE A 3 0.038 -10.194 -0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.696 -7.237 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.722 -8.468 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.155 -10.335 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.690 -6.200 -2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.245 -10.352 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.100 -6.215 -4.446 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.378 -8.290 -5.742 1.00 0.00 H new ATOM 61 N GLY A 4 2.446 -10.125 0.305 1.00 0.00 N ATOM 62 CA GLY A 4 3.616 -10.309 1.139 1.00 0.00 C ATOM 63 C GLY A 4 4.630 -9.206 0.914 1.00 0.00 C ATOM 64 O GLY A 4 4.273 -8.113 0.473 1.00 0.00 O ATOM 0 H GLY A 4 2.476 -10.614 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.319 -10.325 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.072 -11.275 0.922 1.00 0.00 H new ATOM 68 N ARG A 5 5.893 -9.484 1.207 1.00 0.00 N ATOM 69 CA ARG A 5 6.946 -8.494 1.018 1.00 0.00 C ATOM 70 C ARG A 5 7.546 -8.601 -0.372 1.00 0.00 C ATOM 71 O ARG A 5 7.503 -7.646 -1.148 1.00 0.00 O ATOM 72 CB ARG A 5 8.035 -8.656 2.079 1.00 0.00 C ATOM 73 CG ARG A 5 8.901 -7.419 2.257 1.00 0.00 C ATOM 74 CD ARG A 5 10.380 -7.765 2.222 1.00 0.00 C ATOM 75 NE ARG A 5 11.060 -7.390 3.458 1.00 0.00 N ATOM 76 CZ ARG A 5 12.198 -7.939 3.872 1.00 0.00 C ATOM 77 NH1 ARG A 5 12.781 -8.886 3.148 1.00 0.00 N ATOM 78 NH2 ARG A 5 12.754 -7.542 5.008 1.00 0.00 N ATOM 0 H ARG A 5 6.213 -10.380 1.574 1.00 0.00 H new ATOM 0 HA ARG A 5 6.501 -7.505 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.568 -8.902 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.671 -9.499 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.676 -6.700 1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.661 -6.939 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.498 -8.836 2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.851 -7.257 1.381 1.00 0.00 H new ATOM 0 HE ARG A 5 10.638 -6.665 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.356 -9.193 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.654 -9.307 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.309 -6.814 5.567 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.627 -7.965 5.324 1.00 0.00 H new ATOM 92 N CYS A 6 8.104 -9.760 -0.690 1.00 0.00 N ATOM 93 CA CYS A 6 8.703 -9.960 -1.996 1.00 0.00 C ATOM 94 C CYS A 6 7.655 -10.345 -3.025 1.00 0.00 C ATOM 95 O CYS A 6 7.727 -9.912 -4.165 1.00 0.00 O ATOM 96 CB CYS A 6 9.792 -11.017 -1.948 1.00 0.00 C ATOM 97 SG CYS A 6 10.904 -10.878 -0.513 1.00 0.00 S ATOM 0 H CYS A 6 8.153 -10.567 -0.068 1.00 0.00 H new ATOM 0 HA CYS A 6 9.153 -9.013 -2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.326 -12.002 -1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.385 -10.954 -2.860 1.00 0.00 H new ATOM 102 N GLU A 7 6.674 -11.146 -2.620 1.00 0.00 N ATOM 103 CA GLU A 7 5.616 -11.547 -3.540 1.00 0.00 C ATOM 104 C GLU A 7 5.132 -10.319 -4.297 1.00 0.00 C ATOM 105 O GLU A 7 5.096 -10.294 -5.532 1.00 0.00 O ATOM 106 CB GLU A 7 4.457 -12.195 -2.780 1.00 0.00 C ATOM 107 CG GLU A 7 3.570 -13.069 -3.652 1.00 0.00 C ATOM 108 CD GLU A 7 2.660 -13.970 -2.840 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.697 -13.451 -2.236 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.910 -15.193 -2.808 1.00 0.00 O ATOM 0 H GLU A 7 6.590 -11.525 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 7 6.007 -12.282 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.859 -12.798 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.849 -11.413 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.964 -12.434 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.196 -13.681 -4.302 1.00 0.00 H new ATOM 117 N LEU A 8 4.793 -9.288 -3.535 1.00 0.00 N ATOM 118 CA LEU A 8 4.342 -8.030 -4.097 1.00 0.00 C ATOM 119 C LEU A 8 5.460 -7.375 -4.908 1.00 0.00 C ATOM 120 O LEU A 8 5.207 -6.832 -5.979 1.00 0.00 O ATOM 121 CB LEU A 8 3.876 -7.091 -2.975 1.00 0.00 C ATOM 122 CG LEU A 8 3.361 -5.712 -3.416 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.506 -4.714 -3.503 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.624 -5.798 -4.745 1.00 0.00 C ATOM 0 H LEU A 8 4.824 -9.303 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 8 3.503 -8.226 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.084 -7.590 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.707 -6.942 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 8 2.654 -5.363 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.120 -3.744 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.979 -4.617 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.240 -5.065 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.272 -4.807 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.299 -6.178 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.772 -6.471 -4.646 1.00 0.00 H new ATOM 136 N ALA A 9 6.695 -7.430 -4.392 1.00 0.00 N ATOM 137 CA ALA A 9 7.833 -6.824 -5.084 1.00 0.00 C ATOM 138 C ALA A 9 8.076 -7.474 -6.440 1.00 0.00 C ATOM 139 O ALA A 9 8.154 -6.785 -7.456 1.00 0.00 O ATOM 140 CB ALA A 9 9.085 -6.892 -4.231 1.00 0.00 C ATOM 0 H ALA A 9 6.927 -7.883 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 9 7.588 -5.776 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.916 -6.435 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.918 -6.356 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.322 -7.934 -4.015 1.00 0.00 H new ATOM 146 N ALA A 10 8.189 -8.798 -6.459 1.00 0.00 N ATOM 147 CA ALA A 10 8.408 -9.522 -7.700 1.00 0.00 C ATOM 148 C ALA A 10 7.384 -9.084 -8.732 1.00 0.00 C ATOM 149 O ALA A 10 7.694 -8.949 -9.915 1.00 0.00 O ATOM 150 CB ALA A 10 8.326 -11.023 -7.465 1.00 0.00 C ATOM 0 H ALA A 10 8.132 -9.388 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 10 9.407 -9.295 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.493 -11.548 -8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.087 -11.320 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.340 -11.277 -7.077 1.00 0.00 H new ATOM 156 N ALA A 11 6.160 -8.842 -8.265 1.00 0.00 N ATOM 157 CA ALA A 11 5.095 -8.394 -9.147 1.00 0.00 C ATOM 158 C ALA A 11 5.409 -7.017 -9.688 1.00 0.00 C ATOM 159 O ALA A 11 5.120 -6.698 -10.841 1.00 0.00 O ATOM 160 CB ALA A 11 3.757 -8.407 -8.426 1.00 0.00 C ATOM 0 H ALA A 11 5.887 -8.949 -7.288 1.00 0.00 H new ATOM 0 HA ALA A 11 5.025 -9.084 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.975 -8.068 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.534 -9.420 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.802 -7.742 -7.563 1.00 0.00 H new ATOM 166 N MET A 12 6.017 -6.219 -8.840 1.00 0.00 N ATOM 167 CA MET A 12 6.406 -4.858 -9.206 1.00 0.00 C ATOM 168 C MET A 12 7.399 -4.886 -10.359 1.00 0.00 C ATOM 169 O MET A 12 7.221 -4.196 -11.363 1.00 0.00 O ATOM 170 CB MET A 12 7.042 -4.127 -8.026 1.00 0.00 C ATOM 171 CG MET A 12 6.353 -4.375 -6.700 1.00 0.00 C ATOM 172 SD MET A 12 4.776 -3.515 -6.573 1.00 0.00 S ATOM 173 CE MET A 12 5.259 -1.875 -7.101 1.00 0.00 C ATOM 0 H MET A 12 6.258 -6.482 -7.885 1.00 0.00 H new ATOM 0 HA MET A 12 5.502 -4.328 -9.505 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.085 -4.432 -7.944 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.038 -3.056 -8.231 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.191 -5.445 -6.573 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.006 -4.053 -5.889 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.552 -1.144 -6.709 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.258 -1.651 -6.726 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.262 -1.829 -8.190 1.00 0.00 H new ATOM 183 N LYS A 13 8.447 -5.692 -10.200 1.00 0.00 N ATOM 184 CA LYS A 13 9.476 -5.820 -11.223 1.00 0.00 C ATOM 185 C LYS A 13 8.840 -6.113 -12.572 1.00 0.00 C ATOM 186 O LYS A 13 9.145 -5.462 -13.571 1.00 0.00 O ATOM 187 CB LYS A 13 10.461 -6.931 -10.855 1.00 0.00 C ATOM 188 CG LYS A 13 11.794 -6.826 -11.577 1.00 0.00 C ATOM 189 CD LYS A 13 12.023 -8.014 -12.498 1.00 0.00 C ATOM 190 CE LYS A 13 12.289 -7.567 -13.927 1.00 0.00 C ATOM 191 NZ LYS A 13 13.734 -7.644 -14.274 1.00 0.00 N ATOM 0 H LYS A 13 8.604 -6.265 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 13 10.021 -4.878 -11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.637 -6.908 -9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.009 -7.896 -11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.823 -5.904 -12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.601 -6.769 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.868 -8.599 -12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.150 -8.667 -12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.717 -8.190 -14.614 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.938 -6.543 -14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.872 -7.331 -15.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.278 -7.030 -13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.063 -8.625 -14.174 1.00 0.00 H new ATOM 205 N ARG A 14 7.944 -7.092 -12.587 1.00 0.00 N ATOM 206 CA ARG A 14 7.251 -7.467 -13.807 1.00 0.00 C ATOM 207 C ARG A 14 6.409 -6.305 -14.307 1.00 0.00 C ATOM 208 O ARG A 14 6.272 -6.098 -15.513 1.00 0.00 O ATOM 209 CB ARG A 14 6.365 -8.691 -13.564 1.00 0.00 C ATOM 210 CG ARG A 14 7.145 -9.941 -13.189 1.00 0.00 C ATOM 211 CD ARG A 14 6.285 -11.190 -13.306 1.00 0.00 C ATOM 212 NE ARG A 14 6.300 -11.740 -14.659 1.00 0.00 N ATOM 213 CZ ARG A 14 5.213 -12.169 -15.293 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.028 -12.111 -14.700 1.00 0.00 N ATOM 215 NH2 ARG A 14 5.311 -12.656 -16.523 1.00 0.00 N ATOM 0 H ARG A 14 7.682 -7.639 -11.767 1.00 0.00 H new ATOM 0 HA ARG A 14 7.993 -7.719 -14.565 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.655 -8.463 -12.769 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.783 -8.892 -14.463 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.016 -10.036 -13.837 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.516 -9.847 -12.168 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.643 -11.944 -12.604 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.260 -10.952 -13.023 1.00 0.00 H new ATOM 0 HE ARG A 14 7.195 -11.798 -15.145 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.949 -11.736 -13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.196 -12.441 -15.189 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.220 -12.701 -16.983 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.477 -12.985 -17.009 1.00 0.00 H new ATOM 229 N HIS A 15 5.817 -5.563 -13.373 1.00 0.00 N ATOM 230 CA HIS A 15 4.956 -4.442 -13.718 1.00 0.00 C ATOM 231 C HIS A 15 5.757 -3.222 -14.158 1.00 0.00 C ATOM 232 O HIS A 15 5.177 -2.225 -14.587 1.00 0.00 O ATOM 233 CB HIS A 15 4.074 -4.074 -12.525 1.00 0.00 C ATOM 234 CG HIS A 15 2.796 -4.850 -12.458 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.168 -5.164 -11.271 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.022 -5.375 -13.438 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.067 -5.847 -11.522 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.955 -5.988 -12.831 1.00 0.00 N ATOM 0 H HIS A 15 5.920 -5.721 -12.371 1.00 0.00 H new ATOM 0 HA HIS A 15 4.334 -4.754 -14.557 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.636 -4.237 -11.605 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.841 -3.010 -12.572 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.210 -5.321 -14.500 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.376 -6.226 -10.784 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.198 -6.474 -13.312 1.00 0.00 H new ATOM 247 N GLY A 16 7.086 -3.307 -14.107 1.00 0.00 N ATOM 248 CA GLY A 16 7.912 -2.206 -14.564 1.00 0.00 C ATOM 249 C GLY A 16 7.988 -1.011 -13.631 1.00 0.00 C ATOM 250 O GLY A 16 8.246 0.098 -14.096 1.00 0.00 O ATOM 0 H GLY A 16 7.601 -4.116 -13.759 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.923 -2.579 -14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.534 -1.868 -15.529 1.00 0.00 H new ATOM 254 N LEU A 17 7.777 -1.194 -12.327 1.00 0.00 N ATOM 255 CA LEU A 17 7.853 -0.051 -11.423 1.00 0.00 C ATOM 256 C LEU A 17 9.275 0.150 -10.940 1.00 0.00 C ATOM 257 O LEU A 17 9.568 1.069 -10.178 1.00 0.00 O ATOM 258 CB LEU A 17 6.905 -0.211 -10.232 1.00 0.00 C ATOM 259 CG LEU A 17 5.530 -0.813 -10.541 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.478 -0.211 -9.627 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.132 -0.594 -11.997 1.00 0.00 C ATOM 0 H LEU A 17 7.560 -2.088 -11.887 1.00 0.00 H new ATOM 0 HA LEU A 17 7.541 0.832 -11.981 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.394 -0.837 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.756 0.769 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 17 5.595 -1.887 -10.367 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.505 -0.646 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.735 -0.421 -8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.438 0.868 -9.779 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.152 -1.035 -12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.093 0.475 -12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.867 -1.065 -12.650 1.00 0.00 H new ATOM 273 N ASP A 18 10.151 -0.721 -11.401 1.00 0.00 N ATOM 274 CA ASP A 18 11.558 -0.657 -11.032 1.00 0.00 C ATOM 275 C ASP A 18 12.250 0.507 -11.736 1.00 0.00 C ATOM 276 O ASP A 18 12.769 0.371 -12.845 1.00 0.00 O ATOM 277 CB ASP A 18 12.256 -1.985 -11.350 1.00 0.00 C ATOM 278 CG ASP A 18 13.737 -1.822 -11.638 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.477 -1.398 -10.724 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.157 -2.119 -12.776 1.00 0.00 O ATOM 0 H ASP A 18 9.915 -1.485 -12.034 1.00 0.00 H new ATOM 0 HA ASP A 18 11.625 -0.485 -9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.128 -2.667 -10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.773 -2.446 -12.211 1.00 0.00 H new ATOM 285 N ASN A 19 12.241 1.656 -11.069 1.00 0.00 N ATOM 286 CA ASN A 19 12.856 2.874 -11.586 1.00 0.00 C ATOM 287 C ASN A 19 12.138 3.376 -12.821 1.00 0.00 C ATOM 288 O ASN A 19 12.752 3.945 -13.724 1.00 0.00 O ATOM 289 CB ASN A 19 14.341 2.652 -11.883 1.00 0.00 C ATOM 290 CG ASN A 19 15.175 3.890 -11.621 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.228 3.736 -10.828 1.00 0.00 O flip ATOM 292 ND2 ASN A 19 14.876 4.973 -12.126 1.00 0.00 N flip ATOM 0 H ASN A 19 11.806 1.770 -10.153 1.00 0.00 H new ATOM 0 HA ASN A 19 12.768 3.638 -10.814 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.712 1.831 -11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.459 2.351 -12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.057 5.045 -12.730 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.447 5.797 -11.940 1.00 0.00 H new ATOM 299 N TYR A 20 10.828 3.198 -12.835 1.00 0.00 N ATOM 300 CA TYR A 20 10.024 3.677 -13.942 1.00 0.00 C ATOM 301 C TYR A 20 10.076 5.189 -13.914 1.00 0.00 C ATOM 302 O TYR A 20 10.605 5.748 -12.954 1.00 0.00 O ATOM 303 CB TYR A 20 8.580 3.184 -13.807 1.00 0.00 C ATOM 304 CG TYR A 20 7.698 3.532 -14.987 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.888 2.929 -16.223 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.675 4.464 -14.861 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.084 3.245 -17.302 1.00 0.00 C ATOM 308 CE2 TYR A 20 5.866 4.785 -15.935 1.00 0.00 C ATOM 309 CZ TYR A 20 6.075 4.173 -17.153 1.00 0.00 C ATOM 310 OH TYR A 20 5.271 4.490 -18.223 1.00 0.00 O ATOM 0 H TYR A 20 10.303 2.729 -12.097 1.00 0.00 H new ATOM 0 HA TYR A 20 10.409 3.299 -14.889 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.587 2.102 -13.678 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.145 3.610 -12.903 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.677 2.201 -16.343 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.509 4.945 -13.909 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.245 2.767 -18.257 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.075 5.511 -15.821 1.00 0.00 H new ATOM 0 HH TYR A 20 4.610 5.159 -17.948 1.00 0.00 H new ATOM 320 N ARG A 21 9.570 5.847 -14.958 1.00 0.00 N ATOM 321 CA ARG A 21 9.587 7.306 -15.025 1.00 0.00 C ATOM 322 C ARG A 21 9.663 7.894 -13.620 1.00 0.00 C ATOM 323 O ARG A 21 10.394 8.852 -13.365 1.00 0.00 O ATOM 324 CB ARG A 21 8.340 7.824 -15.744 1.00 0.00 C ATOM 325 CG ARG A 21 8.624 8.379 -17.131 1.00 0.00 C ATOM 326 CD ARG A 21 8.135 7.435 -18.218 1.00 0.00 C ATOM 327 NE ARG A 21 8.806 7.675 -19.493 1.00 0.00 N ATOM 328 CZ ARG A 21 8.298 8.427 -20.465 1.00 0.00 C ATOM 329 NH1 ARG A 21 7.117 9.011 -20.308 1.00 0.00 N ATOM 330 NH2 ARG A 21 8.971 8.596 -21.595 1.00 0.00 N ATOM 0 H ARG A 21 9.145 5.393 -15.766 1.00 0.00 H new ATOM 0 HA ARG A 21 10.467 7.617 -15.588 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.616 7.014 -15.827 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.878 8.603 -15.137 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.138 9.348 -17.243 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.695 8.545 -17.246 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.305 6.404 -17.907 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.059 7.556 -18.346 1.00 0.00 H new ATOM 0 HE ARG A 21 9.716 7.241 -19.647 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.596 8.884 -19.440 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.730 9.587 -21.055 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.879 8.149 -21.719 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.580 9.173 -22.340 1.00 0.00 H new ATOM 344 N GLY A 22 8.903 7.287 -12.713 1.00 0.00 N ATOM 345 CA GLY A 22 8.884 7.721 -11.333 1.00 0.00 C ATOM 346 C GLY A 22 10.097 7.240 -10.559 1.00 0.00 C ATOM 347 O GLY A 22 11.185 7.797 -10.697 1.00 0.00 O ATOM 0 H GLY A 22 8.295 6.494 -12.916 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.842 8.810 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.979 7.351 -10.851 1.00 0.00 H new ATOM 351 N TYR A 23 9.905 6.227 -9.714 1.00 0.00 N ATOM 352 CA TYR A 23 11.006 5.721 -8.896 1.00 0.00 C ATOM 353 C TYR A 23 11.199 4.212 -8.986 1.00 0.00 C ATOM 354 O TYR A 23 10.502 3.516 -9.723 1.00 0.00 O ATOM 355 CB TYR A 23 10.806 6.131 -7.439 1.00 0.00 C ATOM 356 CG TYR A 23 11.192 7.566 -7.158 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.469 8.618 -7.705 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.278 7.868 -6.347 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.817 9.930 -7.454 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.632 9.179 -6.091 1.00 0.00 C ATOM 361 CZ TYR A 23 11.899 10.206 -6.646 1.00 0.00 C ATOM 362 OH TYR A 23 12.250 11.512 -6.392 1.00 0.00 O ATOM 0 H TYR A 23 9.014 5.748 -9.579 1.00 0.00 H new ATOM 0 HA TYR A 23 11.914 6.171 -9.298 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.760 5.985 -7.169 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.395 5.473 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.620 8.406 -8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.855 7.066 -5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.244 10.736 -7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.480 9.398 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 23 13.034 11.532 -5.804 1.00 0.00 H new ATOM 372 N SER A 24 12.185 3.730 -8.223 1.00 0.00 N ATOM 373 CA SER A 24 12.539 2.319 -8.189 1.00 0.00 C ATOM 374 C SER A 24 11.568 1.507 -7.346 1.00 0.00 C ATOM 375 O SER A 24 10.819 2.050 -6.534 1.00 0.00 O ATOM 376 CB SER A 24 13.960 2.146 -7.649 1.00 0.00 C ATOM 377 OG SER A 24 14.015 2.411 -6.258 1.00 0.00 O ATOM 0 H SER A 24 12.757 4.313 -7.613 1.00 0.00 H new ATOM 0 HA SER A 24 12.485 1.946 -9.212 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.304 1.130 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.637 2.818 -8.177 1.00 0.00 H new ATOM 0 HG SER A 24 13.279 3.008 -6.009 1.00 0.00 H new ATOM 383 N LEU A 25 11.597 0.197 -7.563 1.00 0.00 N ATOM 384 CA LEU A 25 10.734 -0.738 -6.849 1.00 0.00 C ATOM 385 C LEU A 25 10.659 -0.411 -5.360 1.00 0.00 C ATOM 386 O LEU A 25 9.571 -0.265 -4.807 1.00 0.00 O ATOM 387 CB LEU A 25 11.241 -2.172 -7.046 1.00 0.00 C ATOM 388 CG LEU A 25 10.939 -2.800 -8.408 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.038 -4.315 -8.328 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.565 -2.383 -8.908 1.00 0.00 C ATOM 0 H LEU A 25 12.219 -0.247 -8.238 1.00 0.00 H new ATOM 0 HA LEU A 25 9.729 -0.646 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.320 -2.181 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.805 -2.802 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 25 11.682 -2.439 -9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.820 -4.746 -9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.045 -4.598 -8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.319 -4.689 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.376 -2.843 -9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.805 -2.708 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.528 -1.298 -9.008 1.00 0.00 H new ATOM 402 N GLY A 26 11.820 -0.316 -4.712 1.00 0.00 N ATOM 403 CA GLY A 26 11.867 -0.025 -3.288 1.00 0.00 C ATOM 404 C GLY A 26 10.917 1.083 -2.863 1.00 0.00 C ATOM 405 O GLY A 26 10.307 1.004 -1.796 1.00 0.00 O ATOM 0 H GLY A 26 12.733 -0.436 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.627 -0.931 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.885 0.256 -3.016 1.00 0.00 H new ATOM 409 N ASN A 27 10.787 2.114 -3.691 1.00 0.00 N ATOM 410 CA ASN A 27 9.901 3.234 -3.381 1.00 0.00 C ATOM 411 C ASN A 27 8.440 2.799 -3.433 1.00 0.00 C ATOM 412 O ASN A 27 7.609 3.277 -2.661 1.00 0.00 O ATOM 413 CB ASN A 27 10.142 4.389 -4.352 1.00 0.00 C ATOM 414 CG ASN A 27 11.582 4.864 -4.341 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.378 4.359 -5.275 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.975 5.674 -3.502 1.00 0.00 N flip ATOM 0 H ASN A 27 11.281 2.199 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 27 10.123 3.573 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.874 4.074 -5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.486 5.220 -4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.329 6.037 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.947 5.982 -3.507 1.00 0.00 H new ATOM 423 N TRP A 28 8.141 1.881 -4.343 1.00 0.00 N ATOM 424 CA TRP A 28 6.788 1.360 -4.503 1.00 0.00 C ATOM 425 C TRP A 28 6.411 0.453 -3.345 1.00 0.00 C ATOM 426 O TRP A 28 5.296 0.523 -2.828 1.00 0.00 O ATOM 427 CB TRP A 28 6.678 0.598 -5.812 1.00 0.00 C ATOM 428 CG TRP A 28 6.909 1.473 -6.992 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.087 1.668 -7.636 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.940 2.286 -7.655 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.921 2.562 -8.661 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.606 2.953 -8.698 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.575 2.511 -7.467 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.952 3.835 -9.553 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.921 3.384 -8.313 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.610 4.038 -9.348 1.00 0.00 C ATOM 0 H TRP A 28 8.823 1.479 -4.986 1.00 0.00 H new ATOM 0 HA TRP A 28 6.098 2.204 -4.515 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.402 -0.216 -5.818 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.689 0.146 -5.885 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.020 1.188 -7.378 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.654 2.884 -9.293 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.040 2.011 -6.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.480 4.341 -10.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.865 3.567 -8.177 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.073 4.715 -9.996 1.00 0.00 H new ATOM 447 N VAL A 29 7.344 -0.398 -2.936 1.00 0.00 N ATOM 448 CA VAL A 29 7.108 -1.317 -1.836 1.00 0.00 C ATOM 449 C VAL A 29 6.956 -0.562 -0.528 1.00 0.00 C ATOM 450 O VAL A 29 6.016 -0.789 0.226 1.00 0.00 O ATOM 451 CB VAL A 29 8.264 -2.327 -1.710 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.040 -3.272 -0.539 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.436 -3.099 -3.011 1.00 0.00 C ATOM 0 H VAL A 29 8.272 -0.469 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 29 6.184 -1.856 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 29 9.183 -1.774 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.871 -3.974 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.977 -2.698 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.111 -3.822 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.256 -3.809 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.516 -3.638 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.658 -2.403 -3.820 1.00 0.00 H new ATOM 463 N CYS A 30 7.893 0.332 -0.267 1.00 0.00 N ATOM 464 CA CYS A 30 7.879 1.126 0.949 1.00 0.00 C ATOM 465 C CYS A 30 6.600 1.957 1.051 1.00 0.00 C ATOM 466 O CYS A 30 5.953 1.993 2.100 1.00 0.00 O ATOM 467 CB CYS A 30 9.103 2.036 0.974 1.00 0.00 C ATOM 468 SG CYS A 30 9.463 2.764 2.599 1.00 0.00 S ATOM 0 H CYS A 30 8.679 0.527 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 30 7.907 0.452 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.971 1.466 0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.957 2.840 0.253 1.00 0.00 H new ATOM 473 N ALA A 31 6.245 2.632 -0.042 1.00 0.00 N ATOM 474 CA ALA A 31 5.052 3.469 -0.072 1.00 0.00 C ATOM 475 C ALA A 31 3.781 2.647 0.106 1.00 0.00 C ATOM 476 O ALA A 31 2.900 3.015 0.881 1.00 0.00 O ATOM 477 CB ALA A 31 4.992 4.252 -1.374 1.00 0.00 C ATOM 0 H ALA A 31 6.769 2.614 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 31 5.116 4.165 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.096 4.873 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.874 4.886 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.962 3.559 -2.215 1.00 0.00 H new ATOM 483 N ALA A 32 3.690 1.536 -0.616 1.00 0.00 N ATOM 484 CA ALA A 32 2.521 0.666 -0.541 1.00 0.00 C ATOM 485 C ALA A 32 2.423 -0.023 0.816 1.00 0.00 C ATOM 486 O ALA A 32 1.356 -0.057 1.428 1.00 0.00 O ATOM 487 CB ALA A 32 2.561 -0.366 -1.657 1.00 0.00 C ATOM 0 H ALA A 32 4.412 1.216 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 32 1.634 1.287 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.683 -1.009 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.566 0.141 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.462 -0.971 -1.561 1.00 0.00 H new ATOM 493 N LYS A 33 3.539 -0.583 1.271 1.00 0.00 N ATOM 494 CA LYS A 33 3.589 -1.286 2.548 1.00 0.00 C ATOM 495 C LYS A 33 2.949 -0.471 3.662 1.00 0.00 C ATOM 496 O LYS A 33 2.053 -0.945 4.353 1.00 0.00 O ATOM 497 CB LYS A 33 5.037 -1.607 2.922 1.00 0.00 C ATOM 498 CG LYS A 33 5.167 -2.511 4.137 1.00 0.00 C ATOM 499 CD LYS A 33 5.895 -1.814 5.274 1.00 0.00 C ATOM 500 CE LYS A 33 5.982 -2.700 6.506 1.00 0.00 C ATOM 501 NZ LYS A 33 5.433 -2.027 7.715 1.00 0.00 N ATOM 0 H LYS A 33 4.427 -0.563 0.770 1.00 0.00 H new ATOM 0 HA LYS A 33 3.025 -2.212 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.526 -2.083 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.569 -0.675 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.176 -2.817 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.705 -3.418 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.899 -1.539 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.377 -0.889 5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.435 -3.626 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.022 -2.973 6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.511 -2.665 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.971 -1.157 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.433 -1.789 7.556 1.00 0.00 H new ATOM 515 N PHE A 34 3.428 0.748 3.852 1.00 0.00 N ATOM 516 CA PHE A 34 2.902 1.597 4.908 1.00 0.00 C ATOM 517 C PHE A 34 1.560 2.210 4.542 1.00 0.00 C ATOM 518 O PHE A 34 0.830 2.679 5.414 1.00 0.00 O ATOM 519 CB PHE A 34 3.899 2.680 5.269 1.00 0.00 C ATOM 520 CG PHE A 34 4.837 2.292 6.375 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.385 2.190 7.681 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.172 2.031 6.110 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.246 1.833 8.701 1.00 0.00 C ATOM 524 CE2 PHE A 34 7.038 1.674 7.126 1.00 0.00 C ATOM 525 CZ PHE A 34 6.574 1.576 8.424 1.00 0.00 C ATOM 0 H PHE A 34 4.172 1.168 3.295 1.00 0.00 H new ATOM 0 HA PHE A 34 2.739 0.960 5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.481 2.935 4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.356 3.578 5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.348 2.392 7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.540 2.108 5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.880 1.755 9.714 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.076 1.472 6.906 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.249 1.299 9.220 1.00 0.00 H new ATOM 535 N GLU A 35 1.236 2.216 3.258 1.00 0.00 N ATOM 536 CA GLU A 35 -0.020 2.785 2.798 1.00 0.00 C ATOM 537 C GLU A 35 -1.211 1.917 3.188 1.00 0.00 C ATOM 538 O GLU A 35 -2.181 2.400 3.772 1.00 0.00 O ATOM 539 CB GLU A 35 0.013 2.944 1.278 1.00 0.00 C ATOM 540 CG GLU A 35 -0.231 4.368 0.803 1.00 0.00 C ATOM 541 CD GLU A 35 -1.326 5.070 1.583 1.00 0.00 C ATOM 542 OE1 GLU A 35 -2.336 4.413 1.911 1.00 0.00 O ATOM 543 OE2 GLU A 35 -1.173 6.277 1.864 1.00 0.00 O ATOM 0 H GLU A 35 1.825 1.834 2.518 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.138 3.757 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.982 2.609 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.740 2.290 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.694 4.938 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.497 4.353 -0.254 1.00 0.00 H new ATOM 550 N SER A 36 -1.151 0.645 2.814 1.00 0.00 N ATOM 551 CA SER A 36 -2.252 -0.281 3.076 1.00 0.00 C ATOM 552 C SER A 36 -1.775 -1.584 3.706 1.00 0.00 C ATOM 553 O SER A 36 -2.545 -2.540 3.812 1.00 0.00 O ATOM 554 CB SER A 36 -2.972 -0.590 1.761 1.00 0.00 C ATOM 555 OG SER A 36 -2.045 -0.950 0.752 1.00 0.00 O ATOM 0 H SER A 36 -0.355 0.229 2.330 1.00 0.00 H new ATOM 0 HA SER A 36 -2.927 0.199 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.684 -1.401 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.544 0.281 1.441 1.00 0.00 H new ATOM 0 HG SER A 36 -1.863 -0.173 0.183 1.00 0.00 H new ATOM 561 N ASN A 37 -0.512 -1.633 4.104 1.00 0.00 N ATOM 562 CA ASN A 37 0.044 -2.845 4.695 1.00 0.00 C ATOM 563 C ASN A 37 -0.070 -3.991 3.699 1.00 0.00 C ATOM 564 O ASN A 37 -0.135 -5.154 4.079 1.00 0.00 O ATOM 565 CB ASN A 37 -0.683 -3.197 5.997 1.00 0.00 C ATOM 566 CG ASN A 37 0.239 -3.829 7.021 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.302 -3.292 7.331 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.165 -4.977 7.552 1.00 0.00 N ATOM 0 H ASN A 37 0.144 -0.855 4.030 1.00 0.00 H new ATOM 0 HA ASN A 37 1.094 -2.674 4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.125 -2.294 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.503 -3.882 5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.414 -5.449 8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.054 -5.387 7.265 1.00 0.00 H new ATOM 575 N PHE A 38 -0.082 -3.622 2.419 1.00 0.00 N ATOM 576 CA PHE A 38 -0.179 -4.550 1.301 1.00 0.00 C ATOM 577 C PHE A 38 -1.564 -5.174 1.211 1.00 0.00 C ATOM 578 O PHE A 38 -1.736 -6.240 0.630 1.00 0.00 O ATOM 579 CB PHE A 38 0.912 -5.624 1.382 1.00 0.00 C ATOM 580 CG PHE A 38 2.292 -5.073 1.149 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.515 -4.130 0.158 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.363 -5.494 1.919 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.776 -3.616 -0.061 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.629 -4.983 1.704 1.00 0.00 C ATOM 585 CZ PHE A 38 4.836 -4.043 0.713 1.00 0.00 C ATOM 0 H PHE A 38 -0.023 -2.646 2.127 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.020 -3.981 0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.876 -6.098 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.707 -6.400 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.690 -3.793 -0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.208 -6.229 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.934 -2.881 -0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.457 -5.319 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.825 -3.643 0.544 1.00 0.00 H new ATOM 595 N ASN A 39 -2.560 -4.490 1.762 1.00 0.00 N ATOM 596 CA ASN A 39 -3.929 -4.985 1.715 1.00 0.00 C ATOM 597 C ASN A 39 -4.537 -4.701 0.348 1.00 0.00 C ATOM 598 O ASN A 39 -4.800 -3.552 -0.003 1.00 0.00 O ATOM 599 CB ASN A 39 -4.772 -4.342 2.817 1.00 0.00 C ATOM 600 CG ASN A 39 -6.156 -4.953 2.919 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.464 -5.942 2.253 1.00 0.00 O ATOM 602 ND2 ASN A 39 -7.002 -4.364 3.757 1.00 0.00 N ATOM 0 H ASN A 39 -2.446 -3.598 2.243 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.917 -6.062 1.880 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.259 -4.450 3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.863 -3.273 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.948 -4.730 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.706 -3.546 4.290 1.00 0.00 H new ATOM 609 N THR A 40 -4.735 -5.759 -0.426 1.00 0.00 N ATOM 610 CA THR A 40 -5.288 -5.636 -1.764 1.00 0.00 C ATOM 611 C THR A 40 -6.731 -5.193 -1.676 1.00 0.00 C ATOM 612 O THR A 40 -7.260 -4.526 -2.567 1.00 0.00 O ATOM 613 CB THR A 40 -5.212 -6.975 -2.523 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.418 -7.722 -2.327 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.028 -7.803 -2.046 1.00 0.00 C ATOM 0 H THR A 40 -4.519 -6.716 -0.147 1.00 0.00 H new ATOM 0 HA THR A 40 -4.701 -4.897 -2.309 1.00 0.00 H new ATOM 0 HB THR A 40 -5.085 -6.754 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.360 -8.570 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.996 -8.743 -2.597 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.105 -7.250 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.134 -8.010 -0.981 1.00 0.00 H new ATOM 623 N GLN A 41 -7.353 -5.580 -0.580 1.00 0.00 N ATOM 624 CA GLN A 41 -8.738 -5.258 -0.312 1.00 0.00 C ATOM 625 C GLN A 41 -8.857 -3.991 0.533 1.00 0.00 C ATOM 626 O GLN A 41 -9.944 -3.638 0.988 1.00 0.00 O ATOM 627 CB GLN A 41 -9.381 -6.434 0.410 1.00 0.00 C ATOM 628 CG GLN A 41 -10.047 -7.436 -0.518 1.00 0.00 C ATOM 629 CD GLN A 41 -11.091 -8.280 0.186 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.983 -7.756 0.853 1.00 0.00 O ATOM 631 NE2 GLN A 41 -10.983 -9.595 0.042 1.00 0.00 N ATOM 0 H GLN A 41 -6.907 -6.131 0.154 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.250 -5.072 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.620 -6.948 0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.123 -6.055 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.514 -6.903 -1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.287 -8.089 -0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.227 -9.986 -0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.656 -10.214 0.494 1.00 0.00 H new ATOM 640 N ALA A 42 -7.729 -3.320 0.748 1.00 0.00 N ATOM 641 CA ALA A 42 -7.700 -2.100 1.550 1.00 0.00 C ATOM 642 C ALA A 42 -8.580 -1.004 0.962 1.00 0.00 C ATOM 643 O ALA A 42 -8.300 -0.475 -0.115 1.00 0.00 O ATOM 644 CB ALA A 42 -6.274 -1.596 1.693 1.00 0.00 C ATOM 0 H ALA A 42 -6.821 -3.601 0.377 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.099 -2.352 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.268 -0.686 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.666 -2.357 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.863 -1.382 0.706 1.00 0.00 H new ATOM 650 N THR A 43 -9.631 -0.652 1.693 1.00 0.00 N ATOM 651 CA THR A 43 -10.554 0.397 1.280 1.00 0.00 C ATOM 652 C THR A 43 -10.839 1.313 2.469 1.00 0.00 C ATOM 653 O THR A 43 -11.313 0.852 3.507 1.00 0.00 O ATOM 654 CB THR A 43 -11.883 -0.188 0.763 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.654 -0.698 1.857 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.630 -1.300 -0.245 1.00 0.00 C ATOM 0 H THR A 43 -9.867 -1.085 2.586 1.00 0.00 H new ATOM 0 HA THR A 43 -10.090 0.956 0.468 1.00 0.00 H new ATOM 0 HB THR A 43 -12.437 0.611 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.216 -0.466 2.702 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.583 -1.697 -0.595 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.069 -0.903 -1.091 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.057 -2.097 0.229 1.00 0.00 H new ATOM 664 N ASN A 44 -10.538 2.601 2.332 1.00 0.00 N ATOM 665 CA ASN A 44 -10.761 3.546 3.426 1.00 0.00 C ATOM 666 C ASN A 44 -11.346 4.859 2.920 1.00 0.00 C ATOM 667 O ASN A 44 -10.725 5.561 2.121 1.00 0.00 O ATOM 668 CB ASN A 44 -9.452 3.813 4.170 1.00 0.00 C ATOM 669 CG ASN A 44 -9.662 4.601 5.447 1.00 0.00 C ATOM 670 OD1 ASN A 44 -9.701 5.832 5.431 1.00 0.00 O ATOM 671 ND2 ASN A 44 -9.800 3.895 6.563 1.00 0.00 N ATOM 0 H ASN A 44 -10.144 3.013 1.486 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.481 3.096 4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.972 2.863 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.771 4.360 3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.945 4.371 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.761 2.876 6.530 1.00 0.00 H new ATOM 678 N ARG A 45 -12.543 5.187 3.397 1.00 0.00 N ATOM 679 CA ARG A 45 -13.218 6.417 2.999 1.00 0.00 C ATOM 680 C ARG A 45 -12.669 7.615 3.766 1.00 0.00 C ATOM 681 O ARG A 45 -12.274 7.497 4.926 1.00 0.00 O ATOM 682 CB ARG A 45 -14.726 6.295 3.235 1.00 0.00 C ATOM 683 CG ARG A 45 -15.408 5.307 2.303 1.00 0.00 C ATOM 684 CD ARG A 45 -16.198 4.265 3.079 1.00 0.00 C ATOM 685 NE ARG A 45 -17.382 4.837 3.716 1.00 0.00 N ATOM 686 CZ ARG A 45 -18.524 4.177 3.876 1.00 0.00 C ATOM 687 NH1 ARG A 45 -18.638 2.926 3.448 1.00 0.00 N ATOM 688 NH2 ARG A 45 -19.555 4.767 4.464 1.00 0.00 N ATOM 0 H ARG A 45 -13.066 4.616 4.061 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.033 6.574 1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.901 5.989 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.186 7.276 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.075 5.843 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.659 4.812 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.501 3.464 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.558 3.817 3.839 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.329 5.797 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.847 2.468 2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.516 2.422 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.472 5.729 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.431 4.260 4.586 1.00 0.00 H new ATOM 702 N ASN A 46 -12.647 8.771 3.108 1.00 0.00 N ATOM 703 CA ASN A 46 -12.146 9.995 3.722 1.00 0.00 C ATOM 704 C ASN A 46 -13.281 10.979 3.980 1.00 0.00 C ATOM 705 O ASN A 46 -14.434 10.722 3.630 1.00 0.00 O ATOM 706 CB ASN A 46 -11.088 10.645 2.830 1.00 0.00 C ATOM 707 CG ASN A 46 -10.173 9.624 2.181 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.259 9.509 0.860 1.00 0.00 O flip ATOM 709 ND2 ASN A 46 -9.399 8.947 2.857 1.00 0.00 N flip ATOM 0 H ASN A 46 -12.971 8.885 2.148 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.693 9.730 4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.581 11.232 2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.492 11.338 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.366 9.068 3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.790 8.265 2.405 1.00 0.00 H new ATOM 716 N THR A 47 -12.944 12.106 4.594 1.00 0.00 N ATOM 717 CA THR A 47 -13.929 13.135 4.906 1.00 0.00 C ATOM 718 C THR A 47 -14.158 14.062 3.716 1.00 0.00 C ATOM 719 O THR A 47 -15.217 14.678 3.593 1.00 0.00 O ATOM 720 CB THR A 47 -13.495 13.979 6.119 1.00 0.00 C ATOM 721 OG1 THR A 47 -12.199 14.544 5.886 1.00 0.00 O ATOM 722 CG2 THR A 47 -13.463 13.131 7.383 1.00 0.00 C ATOM 0 H THR A 47 -11.993 12.332 4.887 1.00 0.00 H new ATOM 0 HA THR A 47 -14.858 12.617 5.144 1.00 0.00 H new ATOM 0 HB THR A 47 -14.221 14.781 6.254 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.932 15.080 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.154 13.748 8.227 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.457 12.726 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.756 12.312 7.254 1.00 0.00 H new ATOM 730 N ASP A 48 -13.161 14.156 2.841 1.00 0.00 N ATOM 731 CA ASP A 48 -13.258 15.009 1.662 1.00 0.00 C ATOM 732 C ASP A 48 -14.269 14.450 0.664 1.00 0.00 C ATOM 733 O ASP A 48 -14.688 15.142 -0.264 1.00 0.00 O ATOM 734 CB ASP A 48 -11.890 15.154 0.996 1.00 0.00 C ATOM 735 CG ASP A 48 -11.204 13.819 0.778 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.898 12.782 0.807 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.970 13.812 0.581 1.00 0.00 O ATOM 0 H ASP A 48 -12.278 13.653 2.926 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.602 15.992 1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.008 15.659 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.254 15.788 1.614 1.00 0.00 H new ATOM 742 N GLY A 49 -14.658 13.195 0.866 1.00 0.00 N ATOM 743 CA GLY A 49 -15.621 12.565 -0.020 1.00 0.00 C ATOM 744 C GLY A 49 -15.018 11.438 -0.837 1.00 0.00 C ATOM 745 O GLY A 49 -15.719 10.503 -1.225 1.00 0.00 O ATOM 0 H GLY A 49 -14.324 12.603 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.451 12.176 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.033 13.316 -0.694 1.00 0.00 H new ATOM 749 N SER A 50 -13.717 11.526 -1.100 1.00 0.00 N ATOM 750 CA SER A 50 -13.029 10.501 -1.877 1.00 0.00 C ATOM 751 C SER A 50 -12.768 9.259 -1.033 1.00 0.00 C ATOM 752 O SER A 50 -13.256 9.145 0.092 1.00 0.00 O ATOM 753 CB SER A 50 -11.712 11.040 -2.439 1.00 0.00 C ATOM 754 OG SER A 50 -11.165 12.039 -1.596 1.00 0.00 O ATOM 0 H SER A 50 -13.121 12.293 -0.788 1.00 0.00 H new ATOM 0 HA SER A 50 -13.677 10.223 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.999 10.223 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.880 11.452 -3.434 1.00 0.00 H new ATOM 0 HG SER A 50 -11.369 11.826 -0.661 1.00 0.00 H new ATOM 760 N THR A 51 -11.998 8.329 -1.588 1.00 0.00 N ATOM 761 CA THR A 51 -11.669 7.088 -0.896 1.00 0.00 C ATOM 762 C THR A 51 -10.431 6.441 -1.507 1.00 0.00 C ATOM 763 O THR A 51 -10.078 6.721 -2.652 1.00 0.00 O ATOM 764 CB THR A 51 -12.841 6.090 -0.962 1.00 0.00 C ATOM 765 OG1 THR A 51 -14.065 6.740 -0.600 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.602 4.905 -0.039 1.00 0.00 C ATOM 0 H THR A 51 -11.589 8.412 -2.519 1.00 0.00 H new ATOM 0 HA THR A 51 -11.471 7.339 0.146 1.00 0.00 H new ATOM 0 HB THR A 51 -12.913 5.724 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.873 7.486 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.444 4.216 -0.105 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.688 4.390 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.502 5.258 0.987 1.00 0.00 H new ATOM 774 N ASP A 52 -9.777 5.566 -0.747 1.00 0.00 N ATOM 775 CA ASP A 52 -8.587 4.871 -1.224 1.00 0.00 C ATOM 776 C ASP A 52 -8.879 3.389 -1.380 1.00 0.00 C ATOM 777 O ASP A 52 -8.862 2.635 -0.406 1.00 0.00 O ATOM 778 CB ASP A 52 -7.425 5.079 -0.252 1.00 0.00 C ATOM 779 CG ASP A 52 -7.399 6.480 0.327 1.00 0.00 C ATOM 780 OD1 ASP A 52 -7.041 7.421 -0.413 1.00 0.00 O ATOM 781 OD2 ASP A 52 -7.737 6.637 1.519 1.00 0.00 O ATOM 0 H ASP A 52 -10.053 5.322 0.204 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.307 5.281 -2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.500 4.355 0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.485 4.884 -0.767 1.00 0.00 H new ATOM 786 N TYR A 53 -9.165 2.978 -2.609 1.00 0.00 N ATOM 787 CA TYR A 53 -9.479 1.586 -2.884 1.00 0.00 C ATOM 788 C TYR A 53 -8.310 0.851 -3.531 1.00 0.00 C ATOM 789 O TYR A 53 -8.313 0.606 -4.734 1.00 0.00 O ATOM 790 CB TYR A 53 -10.702 1.473 -3.795 1.00 0.00 C ATOM 791 CG TYR A 53 -11.975 2.057 -3.224 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.611 1.464 -2.143 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.550 3.193 -3.781 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.784 1.984 -1.631 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.720 3.722 -3.273 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.334 3.113 -2.199 1.00 0.00 C ATOM 797 OH TYR A 53 -15.503 3.636 -1.692 1.00 0.00 O ATOM 0 H TYR A 53 -9.185 3.588 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.691 1.120 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.482 1.972 -4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.872 0.421 -4.023 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.182 0.581 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.074 3.670 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.267 1.509 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.152 4.608 -3.715 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.755 4.432 -2.205 1.00 0.00 H new ATOM 807 N GLY A 54 -7.302 0.511 -2.742 1.00 0.00 N ATOM 808 CA GLY A 54 -6.172 -0.201 -3.312 1.00 0.00 C ATOM 809 C GLY A 54 -4.937 -0.236 -2.442 1.00 0.00 C ATOM 810 O GLY A 54 -4.814 0.517 -1.476 1.00 0.00 O ATOM 0 H GLY A 54 -7.242 0.708 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.477 -1.225 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.914 0.260 -4.265 1.00 0.00 H new ATOM 814 N ILE A 55 -4.001 -1.102 -2.829 1.00 0.00 N ATOM 815 CA ILE A 55 -2.734 -1.230 -2.129 1.00 0.00 C ATOM 816 C ILE A 55 -1.936 0.046 -2.345 1.00 0.00 C ATOM 817 O ILE A 55 -1.043 0.387 -1.569 1.00 0.00 O ATOM 818 CB ILE A 55 -1.917 -2.432 -2.651 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.700 -2.681 -1.758 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.481 -2.182 -4.089 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.102 -3.899 -2.160 1.00 0.00 C ATOM 0 H ILE A 55 -4.102 -1.727 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.934 -1.394 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.547 -3.321 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.053 -1.804 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.033 -2.799 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.905 -3.035 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.361 -2.047 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.864 -1.284 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.950 -4.016 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.530 -4.785 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.465 -3.775 -3.180 1.00 0.00 H new ATOM 833 N LEU A 56 -2.306 0.757 -3.408 1.00 0.00 N ATOM 834 CA LEU A 56 -1.677 2.020 -3.756 1.00 0.00 C ATOM 835 C LEU A 56 -2.699 3.145 -3.609 1.00 0.00 C ATOM 836 O LEU A 56 -2.418 4.298 -3.935 1.00 0.00 O ATOM 837 CB LEU A 56 -1.128 1.987 -5.191 1.00 0.00 C ATOM 838 CG LEU A 56 0.405 1.933 -5.323 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.079 2.771 -4.247 1.00 0.00 C ATOM 840 CD2 LEU A 56 0.890 0.492 -5.256 1.00 0.00 C ATOM 0 H LEU A 56 -3.048 0.472 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.838 2.193 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.548 1.120 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.488 2.871 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 56 0.676 2.351 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.161 2.714 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.758 3.809 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.801 2.392 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.976 0.469 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.600 0.054 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.443 -0.081 -6.068 1.00 0.00 H new ATOM 852 N GLN A 57 -3.888 2.790 -3.103 1.00 0.00 N ATOM 853 CA GLN A 57 -4.973 3.748 -2.886 1.00 0.00 C ATOM 854 C GLN A 57 -5.615 4.207 -4.193 1.00 0.00 C ATOM 855 O GLN A 57 -5.392 5.337 -4.629 1.00 0.00 O ATOM 856 CB GLN A 57 -4.465 4.966 -2.107 1.00 0.00 C ATOM 857 CG GLN A 57 -4.017 4.642 -0.692 1.00 0.00 C ATOM 858 CD GLN A 57 -4.198 5.812 0.257 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.720 5.656 1.360 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.767 6.993 -0.171 1.00 0.00 N ATOM 0 H GLN A 57 -4.121 1.834 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.737 3.232 -2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.631 5.411 -2.650 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.255 5.715 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.583 3.787 -0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.968 4.348 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.340 7.076 -1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.863 7.817 0.423 1.00 0.00 H new ATOM 869 N ILE A 58 -6.419 3.343 -4.824 1.00 0.00 N ATOM 870 CA ILE A 58 -7.068 3.716 -6.066 1.00 0.00 C ATOM 871 C ILE A 58 -8.313 4.525 -5.767 1.00 0.00 C ATOM 872 O ILE A 58 -9.382 3.968 -5.511 1.00 0.00 O ATOM 873 CB ILE A 58 -7.441 2.480 -6.910 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.299 1.458 -6.898 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.776 2.894 -8.335 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.945 2.048 -7.238 1.00 0.00 C ATOM 0 H ILE A 58 -6.627 2.400 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.364 4.315 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.322 2.013 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.247 0.998 -5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.527 0.664 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.037 2.011 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.619 3.585 -8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.912 3.383 -8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.189 1.264 -7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.978 2.483 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.693 2.822 -6.513 1.00 0.00 H new ATOM 888 N ASN A 59 -8.174 5.843 -5.797 1.00 0.00 N ATOM 889 CA ASN A 59 -9.291 6.726 -5.525 1.00 0.00 C ATOM 890 C ASN A 59 -10.326 6.615 -6.626 1.00 0.00 C ATOM 891 O ASN A 59 -10.207 7.255 -7.670 1.00 0.00 O ATOM 892 CB ASN A 59 -8.801 8.169 -5.403 1.00 0.00 C ATOM 893 CG ASN A 59 -9.908 9.130 -5.012 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.040 8.722 -4.754 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.584 10.417 -4.966 1.00 0.00 N ATOM 0 H ASN A 59 -7.298 6.321 -6.007 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.752 6.431 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.004 8.217 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.370 8.484 -6.353 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.286 11.111 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.633 10.712 -5.188 1.00 0.00 H new ATOM 902 N SER A 60 -11.347 5.805 -6.390 1.00 0.00 N ATOM 903 CA SER A 60 -12.412 5.616 -7.370 1.00 0.00 C ATOM 904 C SER A 60 -13.178 6.916 -7.618 1.00 0.00 C ATOM 905 O SER A 60 -13.959 7.013 -8.564 1.00 0.00 O ATOM 906 CB SER A 60 -13.378 4.528 -6.898 1.00 0.00 C ATOM 907 OG SER A 60 -14.350 5.058 -6.012 1.00 0.00 O ATOM 0 H SER A 60 -11.463 5.268 -5.531 1.00 0.00 H new ATOM 0 HA SER A 60 -11.950 5.308 -8.308 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.873 4.078 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.821 3.734 -6.400 1.00 0.00 H new ATOM 0 HG SER A 60 -13.920 5.680 -5.389 1.00 0.00 H new ATOM 913 N ARG A 61 -12.954 7.916 -6.768 1.00 0.00 N ATOM 914 CA ARG A 61 -13.627 9.202 -6.913 1.00 0.00 C ATOM 915 C ARG A 61 -12.706 10.214 -7.586 1.00 0.00 C ATOM 916 O ARG A 61 -12.899 11.425 -7.468 1.00 0.00 O ATOM 917 CB ARG A 61 -14.072 9.727 -5.546 1.00 0.00 C ATOM 918 CG ARG A 61 -15.316 10.599 -5.605 1.00 0.00 C ATOM 919 CD ARG A 61 -15.069 11.964 -4.985 1.00 0.00 C ATOM 920 NE ARG A 61 -15.938 12.990 -5.555 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.937 13.563 -4.891 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.193 13.211 -3.637 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.683 14.488 -5.480 1.00 0.00 N ATOM 0 H ARG A 61 -12.314 7.860 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.507 9.060 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.262 8.881 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.257 10.300 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.628 10.720 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.134 10.103 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.232 11.908 -3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.027 12.247 -5.135 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.769 13.284 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.623 12.499 -3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.960 13.652 -3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.491 14.761 -6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.449 14.927 -4.969 1.00 0.00 H new ATOM 937 N TRP A 62 -11.703 9.702 -8.291 1.00 0.00 N ATOM 938 CA TRP A 62 -10.745 10.559 -8.985 1.00 0.00 C ATOM 939 C TRP A 62 -9.974 9.817 -10.081 1.00 0.00 C ATOM 940 O TRP A 62 -9.314 10.448 -10.908 1.00 0.00 O ATOM 941 CB TRP A 62 -9.758 11.161 -7.984 1.00 0.00 C ATOM 942 CG TRP A 62 -9.249 12.510 -8.388 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.088 12.783 -9.053 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.884 13.773 -8.154 1.00 0.00 C ATOM 945 NE1 TRP A 62 -7.962 14.138 -9.246 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.053 14.767 -8.702 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.076 14.159 -7.533 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.375 16.120 -8.649 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.395 15.503 -7.481 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.547 16.470 -8.036 1.00 0.00 C ATOM 0 H TRP A 62 -11.531 8.702 -8.398 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.320 11.349 -9.468 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.242 11.240 -7.011 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.913 10.483 -7.866 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.373 12.042 -9.380 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.184 14.600 -9.717 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.735 13.420 -7.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.723 16.867 -9.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.313 15.813 -7.005 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.824 17.512 -7.979 1.00 0.00 H new ATOM 961 N TRP A 63 -10.035 8.486 -10.086 1.00 0.00 N ATOM 962 CA TRP A 63 -9.315 7.703 -11.082 1.00 0.00 C ATOM 963 C TRP A 63 -10.216 6.688 -11.770 1.00 0.00 C ATOM 964 O TRP A 63 -10.573 6.848 -12.935 1.00 0.00 O ATOM 965 CB TRP A 63 -8.133 6.980 -10.425 1.00 0.00 C ATOM 966 CG TRP A 63 -7.051 7.911 -9.977 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.469 7.985 -8.743 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.433 8.915 -10.772 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.514 8.977 -8.733 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.478 9.564 -9.973 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.600 9.320 -12.089 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.691 10.607 -10.461 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.832 10.347 -12.575 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.884 10.988 -11.764 1.00 0.00 C ATOM 0 H TRP A 63 -10.571 7.934 -9.417 1.00 0.00 H new ATOM 0 HA TRP A 63 -8.952 8.395 -11.842 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.494 6.412 -9.567 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.717 6.261 -11.131 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.721 7.358 -7.900 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.930 9.233 -7.937 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.326 8.832 -12.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.958 11.096 -9.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.959 10.667 -13.599 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.296 11.796 -12.173 1.00 0.00 H new ATOM 985 N CYS A 64 -10.550 5.628 -11.051 1.00 0.00 N ATOM 986 CA CYS A 64 -11.380 4.569 -11.609 1.00 0.00 C ATOM 987 C CYS A 64 -12.859 4.802 -11.354 1.00 0.00 C ATOM 988 O CYS A 64 -13.246 5.467 -10.395 1.00 0.00 O ATOM 989 CB CYS A 64 -10.963 3.206 -11.050 1.00 0.00 C ATOM 990 SG CYS A 64 -11.640 2.829 -9.396 1.00 0.00 S ATOM 0 H CYS A 64 -10.261 5.477 -10.084 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.225 4.581 -12.688 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.281 2.429 -11.745 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.875 3.164 -11.002 1.00 0.00 H new ATOM 995 N ASN A 65 -13.678 4.236 -12.232 1.00 0.00 N ATOM 996 CA ASN A 65 -15.127 4.361 -12.125 1.00 0.00 C ATOM 997 C ASN A 65 -15.714 3.192 -11.341 1.00 0.00 C ATOM 998 O ASN A 65 -15.803 2.073 -11.847 1.00 0.00 O ATOM 999 CB ASN A 65 -15.759 4.425 -13.517 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.246 4.720 -13.465 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.676 5.690 -12.842 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.039 3.880 -14.120 1.00 0.00 N ATOM 0 H ASN A 65 -13.362 3.684 -13.029 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.350 5.284 -11.591 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.259 5.195 -14.105 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.597 3.477 -14.030 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.048 4.026 -14.120 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.639 3.088 -14.624 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.111 3.459 -10.101 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.686 2.430 -9.243 1.00 0.00 C ATOM 1011 C ASP A 66 -18.210 2.465 -9.288 1.00 0.00 C ATOM 1012 O ASP A 66 -18.874 1.482 -8.956 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.202 2.606 -7.803 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.790 3.835 -7.138 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.004 4.846 -7.841 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.038 3.787 -5.916 1.00 0.00 O ATOM 0 H ASP A 66 -16.045 4.380 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.355 1.460 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.467 1.722 -7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.114 2.678 -7.795 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.762 3.602 -9.706 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.205 3.741 -9.791 1.00 0.00 C ATOM 1023 C GLY A 67 -20.862 3.909 -8.433 1.00 0.00 C ATOM 1024 O GLY A 67 -22.040 4.255 -8.349 1.00 0.00 O ATOM 0 H GLY A 67 -18.235 4.429 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.446 4.602 -10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.621 2.863 -10.285 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.103 3.660 -7.370 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.624 3.785 -6.014 1.00 0.00 C ATOM 1030 C ARG A 68 -20.481 5.215 -5.502 1.00 0.00 C ATOM 1031 O ARG A 68 -20.883 5.526 -4.381 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.897 2.820 -5.076 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.562 1.458 -4.970 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.062 1.189 -3.560 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.509 1.349 -3.453 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.252 0.747 -2.528 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.685 -0.051 -1.633 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -24.563 0.945 -2.497 1.00 0.00 N ATOM 0 H ARG A 68 -19.126 3.371 -7.422 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.684 3.532 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.873 2.689 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.840 3.266 -4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.396 1.404 -5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.853 0.682 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.786 0.177 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.570 1.869 -2.865 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.977 1.957 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.677 -0.204 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.257 -0.511 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -25.002 1.559 -3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -25.132 0.483 -1.788 1.00 0.00 H new ATOM 1052 N THR A 69 -19.906 6.081 -6.330 1.00 0.00 N ATOM 1053 CA THR A 69 -19.711 7.477 -5.960 1.00 0.00 C ATOM 1054 C THR A 69 -19.945 8.401 -7.154 1.00 0.00 C ATOM 1055 O THR A 69 -19.236 8.322 -8.157 1.00 0.00 O ATOM 1056 CB THR A 69 -18.292 7.719 -5.410 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.827 6.550 -4.725 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.276 8.908 -4.462 1.00 0.00 C ATOM 0 H THR A 69 -19.567 5.840 -7.261 1.00 0.00 H new ATOM 0 HA THR A 69 -20.439 7.702 -5.181 1.00 0.00 H new ATOM 0 HB THR A 69 -17.631 7.935 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.571 5.867 -5.380 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.264 9.060 -4.086 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.604 9.801 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.949 8.716 -3.626 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.945 9.297 -7.060 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.265 10.237 -8.139 1.00 0.00 C ATOM 1068 C PRO A 70 -20.197 11.312 -8.303 1.00 0.00 C ATOM 1069 O PRO A 70 -19.664 11.826 -7.320 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.587 10.860 -7.688 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.575 10.739 -6.205 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.840 9.463 -5.899 1.00 0.00 C ATOM 0 HA PRO A 70 -21.322 9.742 -9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.660 11.902 -8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.439 10.337 -8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.078 11.595 -5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.590 10.710 -5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.280 9.536 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.524 8.620 -5.795 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.890 11.649 -9.552 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.887 12.661 -9.824 1.00 0.00 C ATOM 1082 C GLY A 71 -17.541 12.062 -10.182 1.00 0.00 C ATOM 1083 O GLY A 71 -16.527 12.760 -10.190 1.00 0.00 O ATOM 0 H GLY A 71 -20.319 11.238 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.228 13.295 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.775 13.302 -8.949 1.00 0.00 H new ATOM 1087 N SER A 72 -17.533 10.767 -10.481 1.00 0.00 N ATOM 1088 CA SER A 72 -16.305 10.072 -10.844 1.00 0.00 C ATOM 1089 C SER A 72 -15.713 10.647 -12.124 1.00 0.00 C ATOM 1090 O SER A 72 -16.398 10.761 -13.142 1.00 0.00 O ATOM 1091 CB SER A 72 -16.573 8.576 -11.017 1.00 0.00 C ATOM 1092 OG SER A 72 -15.399 7.890 -11.417 1.00 0.00 O ATOM 0 H SER A 72 -18.365 10.177 -10.479 1.00 0.00 H new ATOM 0 HA SER A 72 -15.585 10.213 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.940 8.158 -10.080 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.356 8.427 -11.761 1.00 0.00 H new ATOM 0 HG SER A 72 -14.931 7.553 -10.625 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.436 11.004 -12.068 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.745 11.566 -13.222 1.00 0.00 C ATOM 1100 C ARG A 73 -13.391 10.474 -14.227 1.00 0.00 C ATOM 1101 O ARG A 73 -13.545 10.658 -15.435 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.477 12.297 -12.779 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.699 13.771 -12.478 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.398 14.554 -12.536 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.605 15.930 -12.977 1.00 0.00 N ATOM 1106 CZ ARG A 73 -10.903 16.508 -13.948 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -9.952 15.831 -14.577 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.154 17.764 -14.291 1.00 0.00 N ATOM 0 H ARG A 73 -13.856 10.914 -11.233 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.415 12.277 -13.704 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.078 11.809 -11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.722 12.204 -13.560 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.407 14.187 -13.195 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.146 13.878 -11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.932 14.556 -11.551 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.706 14.056 -13.215 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.329 16.480 -12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.757 14.864 -14.317 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.416 16.277 -15.321 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.886 18.287 -13.810 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.615 18.207 -15.036 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.910 9.343 -13.717 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.525 8.216 -14.563 1.00 0.00 C ATOM 1124 C ASN A 74 -11.322 8.595 -15.414 1.00 0.00 C ATOM 1125 O ASN A 74 -11.160 8.117 -16.538 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.691 7.783 -15.456 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.632 6.311 -15.812 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.180 5.485 -15.018 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.088 5.973 -17.012 1.00 0.00 N ATOM 0 H ASN A 74 -12.777 9.182 -12.719 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.258 7.376 -13.922 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.632 7.993 -14.947 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.684 8.376 -16.371 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.072 4.997 -17.307 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.454 6.690 -17.639 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.469 9.441 -14.848 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.258 9.885 -15.504 1.00 0.00 C ATOM 1138 C LEU A 75 -8.462 8.704 -15.980 1.00 0.00 C ATOM 1139 O LEU A 75 -8.119 8.559 -17.154 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.434 10.634 -14.479 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.646 12.147 -14.456 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.885 12.783 -13.304 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.233 12.769 -15.781 1.00 0.00 C ATOM 0 H LEU A 75 -10.604 9.836 -13.917 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.508 10.514 -16.359 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.663 10.236 -13.491 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.379 10.433 -14.667 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.709 12.337 -14.306 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.052 13.860 -13.309 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.237 12.365 -12.361 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.820 12.580 -13.415 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.392 13.847 -15.742 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.178 12.564 -15.966 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.832 12.342 -16.586 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.200 7.867 -15.017 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.468 6.653 -15.205 1.00 0.00 C ATOM 1157 C CYS A 76 -8.272 5.705 -16.084 1.00 0.00 C ATOM 1158 O CYS A 76 -7.717 4.932 -16.866 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.242 6.066 -13.834 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.562 5.448 -13.525 1.00 0.00 S ATOM 0 H CYS A 76 -8.499 8.017 -14.054 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.513 6.828 -15.701 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.475 6.826 -13.088 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.946 5.247 -13.686 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.594 5.783 -15.934 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.509 4.945 -16.696 1.00 0.00 C ATOM 1167 C ASN A 77 -10.127 3.485 -16.528 1.00 0.00 C ATOM 1168 O ASN A 77 -9.914 2.766 -17.505 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.488 5.332 -18.176 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.773 4.959 -18.890 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.215 3.812 -18.836 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.377 5.930 -19.565 1.00 0.00 N ATOM 0 H ASN A 77 -10.054 6.423 -15.287 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.520 5.096 -16.319 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.325 6.406 -18.266 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.648 4.840 -18.665 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.244 5.739 -20.067 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.974 6.867 -19.582 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.022 3.063 -15.276 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.641 1.697 -14.968 1.00 0.00 C ATOM 1181 C ILE A 78 -10.727 0.972 -14.181 1.00 0.00 C ATOM 1182 O ILE A 78 -11.495 1.596 -13.450 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.320 1.656 -14.172 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.583 1.436 -12.673 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.547 2.941 -14.409 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.659 2.211 -11.754 1.00 0.00 C ATOM 0 H ILE A 78 -10.196 3.649 -14.459 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.503 1.186 -15.921 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.722 0.814 -14.521 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.613 1.716 -12.453 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.487 0.373 -12.452 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.613 2.913 -13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.328 3.043 -15.472 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.144 3.791 -14.079 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.915 1.997 -10.716 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.627 1.915 -11.942 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.770 3.279 -11.942 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.793 -0.364 -14.298 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.767 -1.165 -13.572 1.00 0.00 C ATOM 1200 C PRO A 79 -11.319 -1.347 -12.126 1.00 0.00 C ATOM 1201 O PRO A 79 -10.308 -1.995 -11.859 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.774 -2.512 -14.313 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.810 -2.367 -15.453 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.920 -1.203 -15.121 1.00 0.00 C ATOM 0 HA PRO A 79 -12.755 -0.706 -13.538 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.473 -3.323 -13.650 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.773 -2.751 -14.676 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.224 -3.277 -15.583 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.341 -2.194 -16.389 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.028 -1.516 -14.578 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.582 -0.682 -16.017 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.061 -0.754 -11.199 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.718 -0.835 -9.784 1.00 0.00 C ATOM 1214 C CYS A 80 -11.697 -2.283 -9.296 1.00 0.00 C ATOM 1215 O CYS A 80 -10.677 -2.760 -8.804 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.700 0.001 -8.961 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.190 1.565 -9.765 1.00 0.00 S ATOM 0 H CYS A 80 -12.902 -0.213 -11.400 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.713 -0.433 -9.652 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.594 -0.592 -8.766 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.250 0.226 -7.994 1.00 0.00 H new ATOM 1222 N SER A 81 -12.826 -2.972 -9.416 1.00 0.00 N ATOM 1223 CA SER A 81 -12.927 -4.360 -8.969 1.00 0.00 C ATOM 1224 C SER A 81 -11.862 -5.250 -9.617 1.00 0.00 C ATOM 1225 O SER A 81 -11.513 -6.299 -9.074 1.00 0.00 O ATOM 1226 CB SER A 81 -14.320 -4.912 -9.280 1.00 0.00 C ATOM 1227 OG SER A 81 -14.801 -4.418 -10.516 1.00 0.00 O ATOM 0 H SER A 81 -13.684 -2.595 -9.818 1.00 0.00 H new ATOM 0 HA SER A 81 -12.758 -4.369 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.284 -6.001 -9.309 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.010 -4.637 -8.482 1.00 0.00 H new ATOM 0 HG SER A 81 -15.692 -4.787 -10.692 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.352 -4.836 -10.775 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.333 -5.613 -11.481 1.00 0.00 C ATOM 1235 C ALA A 82 -8.975 -5.510 -10.794 1.00 0.00 C ATOM 1236 O ALA A 82 -8.040 -6.237 -11.131 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.227 -5.158 -12.928 1.00 0.00 C ATOM 0 H ALA A 82 -11.625 -3.972 -11.243 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.640 -6.659 -11.459 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.465 -5.746 -13.439 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.187 -5.298 -13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.953 -4.103 -12.959 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.878 -4.609 -9.825 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.638 -4.413 -9.082 1.00 0.00 C ATOM 1245 C LEU A 83 -7.746 -5.032 -7.694 1.00 0.00 C ATOM 1246 O LEU A 83 -6.753 -5.156 -6.977 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.305 -2.921 -8.970 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.959 -2.186 -7.797 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.976 -2.031 -6.647 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.475 -0.827 -8.245 1.00 0.00 C ATOM 0 H LEU A 83 -9.644 -4.001 -9.534 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.833 -4.908 -9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.224 -2.813 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.603 -2.429 -9.896 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.804 -2.779 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.460 -1.506 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.652 -3.016 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.110 -1.460 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.937 -0.317 -7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.645 -0.228 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.213 -0.961 -9.036 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.964 -5.407 -7.321 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.217 -6.001 -6.017 1.00 0.00 C ATOM 1264 C LEU A 84 -9.541 -7.484 -6.144 1.00 0.00 C ATOM 1265 O LEU A 84 -10.406 -8.008 -5.442 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.362 -5.257 -5.335 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.414 -3.765 -5.659 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.847 -3.264 -5.664 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.568 -2.977 -4.671 1.00 0.00 C ATOM 0 H LEU A 84 -9.793 -5.309 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.317 -5.912 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.306 -5.715 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.271 -5.381 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.003 -3.616 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.859 -2.199 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.420 -3.807 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.292 -3.426 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.616 -1.916 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.947 -3.134 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.533 -3.316 -4.727 1.00 0.00 H new ATOM 1281 N SER A 85 -8.821 -8.156 -7.035 1.00 0.00 N ATOM 1282 CA SER A 85 -9.010 -9.587 -7.249 1.00 0.00 C ATOM 1283 C SER A 85 -7.685 -10.315 -7.125 1.00 0.00 C ATOM 1284 O SER A 85 -7.402 -11.273 -7.846 1.00 0.00 O ATOM 1285 CB SER A 85 -9.648 -9.857 -8.613 1.00 0.00 C ATOM 1286 OG SER A 85 -11.006 -10.237 -8.475 1.00 0.00 O ATOM 0 H SER A 85 -8.101 -7.733 -7.621 1.00 0.00 H new ATOM 0 HA SER A 85 -9.688 -9.962 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.578 -8.964 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.097 -10.645 -9.126 1.00 0.00 H new ATOM 0 HG SER A 85 -11.391 -10.402 -9.361 1.00 0.00 H new ATOM 1292 N SER A 86 -6.879 -9.815 -6.206 1.00 0.00 N ATOM 1293 CA SER A 86 -5.547 -10.348 -5.935 1.00 0.00 C ATOM 1294 C SER A 86 -4.635 -9.956 -7.075 1.00 0.00 C ATOM 1295 O SER A 86 -3.608 -10.585 -7.332 1.00 0.00 O ATOM 1296 CB SER A 86 -5.581 -11.871 -5.773 1.00 0.00 C ATOM 1297 OG SER A 86 -6.655 -12.271 -4.939 1.00 0.00 O ATOM 0 H SER A 86 -7.129 -9.020 -5.618 1.00 0.00 H new ATOM 0 HA SER A 86 -5.175 -9.933 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.681 -12.342 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.638 -12.216 -5.348 1.00 0.00 H new ATOM 0 HG SER A 86 -6.656 -13.247 -4.853 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.064 -8.920 -7.777 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.361 -8.412 -8.932 1.00 0.00 C ATOM 1305 C ASP A 87 -4.029 -6.933 -8.770 1.00 0.00 C ATOM 1306 O ASP A 87 -4.927 -6.097 -8.678 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.263 -8.611 -10.138 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.531 -8.452 -11.457 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.512 -9.146 -11.658 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.976 -7.633 -12.287 1.00 0.00 O ATOM 0 H ASP A 87 -5.917 -8.407 -7.555 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.418 -8.945 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.707 -9.605 -10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.082 -7.894 -10.095 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.741 -6.610 -8.744 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.313 -5.225 -8.602 1.00 0.00 C ATOM 1317 C ILE A 88 -2.157 -4.554 -9.957 1.00 0.00 C ATOM 1318 O ILE A 88 -1.901 -3.358 -10.032 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.983 -5.097 -7.837 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.118 -6.342 -8.041 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.241 -4.852 -6.360 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.360 -6.087 -7.847 1.00 0.00 C ATOM 0 H ILE A 88 -1.980 -7.284 -8.819 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.096 -4.729 -8.029 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.438 -4.241 -8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.440 -7.116 -7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.283 -6.729 -9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.290 -4.764 -5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.810 -3.930 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.808 -5.686 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.913 -7.013 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.696 -5.335 -8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.537 -5.729 -6.833 1.00 0.00 H new ATOM 1334 N THR A 89 -2.297 -5.330 -11.028 1.00 0.00 N ATOM 1335 CA THR A 89 -2.159 -4.799 -12.378 1.00 0.00 C ATOM 1336 C THR A 89 -2.955 -3.510 -12.556 1.00 0.00 C ATOM 1337 O THR A 89 -2.405 -2.484 -12.950 1.00 0.00 O ATOM 1338 CB THR A 89 -2.621 -5.821 -13.434 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.194 -7.137 -13.062 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.065 -5.471 -14.805 1.00 0.00 C ATOM 0 H THR A 89 -2.506 -6.328 -10.986 1.00 0.00 H new ATOM 0 HA THR A 89 -1.099 -4.588 -12.522 1.00 0.00 H new ATOM 0 HB THR A 89 -3.710 -5.793 -13.483 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.493 -7.781 -13.737 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.405 -6.207 -15.534 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.415 -4.481 -15.098 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.976 -5.474 -14.767 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.253 -3.571 -12.279 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.121 -2.418 -12.423 1.00 0.00 C ATOM 1350 C ALA A 90 -4.721 -1.277 -11.486 1.00 0.00 C ATOM 1351 O ALA A 90 -4.664 -0.116 -11.898 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.569 -2.816 -12.188 1.00 0.00 C ATOM 0 H ALA A 90 -4.725 -4.414 -11.952 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.012 -2.052 -13.444 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.209 -1.941 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.861 -3.574 -12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.677 -3.219 -11.181 1.00 0.00 H new ATOM 1358 N SER A 91 -4.440 -1.611 -10.228 1.00 0.00 N ATOM 1359 CA SER A 91 -4.042 -0.611 -9.240 1.00 0.00 C ATOM 1360 C SER A 91 -2.718 0.038 -9.613 1.00 0.00 C ATOM 1361 O SER A 91 -2.504 1.227 -9.367 1.00 0.00 O ATOM 1362 CB SER A 91 -3.934 -1.247 -7.853 1.00 0.00 C ATOM 1363 OG SER A 91 -4.070 -2.656 -7.925 1.00 0.00 O ATOM 0 H SER A 91 -4.481 -2.565 -9.869 1.00 0.00 H new ATOM 0 HA SER A 91 -4.810 0.162 -9.223 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.972 -0.994 -7.408 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.705 -0.837 -7.201 1.00 0.00 H new ATOM 0 HG SER A 91 -3.995 -3.038 -7.026 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.835 -0.744 -10.211 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.545 -0.221 -10.608 1.00 0.00 C ATOM 1371 C VAL A 92 -0.667 0.623 -11.855 1.00 0.00 C ATOM 1372 O VAL A 92 -0.201 1.747 -11.877 1.00 0.00 O ATOM 1373 CB VAL A 92 0.517 -1.305 -10.854 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.761 -0.671 -11.478 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.864 -2.022 -9.557 1.00 0.00 C ATOM 0 H VAL A 92 -1.987 -1.729 -10.429 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.211 0.382 -9.764 1.00 0.00 H new ATOM 0 HB VAL A 92 0.116 -2.047 -11.545 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.513 -1.440 -11.652 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.494 -0.203 -12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.163 0.083 -10.802 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.617 -2.785 -9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.255 -1.303 -8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.031 -2.492 -9.150 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.297 0.083 -12.891 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.468 0.812 -14.121 1.00 0.00 C ATOM 1387 C ASN A 93 -1.890 2.241 -13.828 1.00 0.00 C ATOM 1388 O ASN A 93 -1.398 3.194 -14.439 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.485 0.108 -15.000 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.661 0.989 -15.379 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.663 1.047 -14.668 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.542 1.680 -16.508 1.00 0.00 N ATOM 0 H ASN A 93 -1.694 -0.857 -12.895 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.519 0.845 -14.656 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.992 -0.239 -15.908 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.854 -0.776 -14.480 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.300 2.289 -16.816 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.692 1.601 -17.067 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.791 2.377 -12.866 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.273 3.682 -12.465 1.00 0.00 C ATOM 1401 C CYS A 94 -2.148 4.503 -11.850 1.00 0.00 C ATOM 1402 O CYS A 94 -1.956 5.664 -12.208 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.424 3.549 -11.472 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.617 4.915 -11.567 1.00 0.00 S ATOM 0 H CYS A 94 -3.200 1.597 -12.351 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.636 4.196 -13.355 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.944 2.608 -11.653 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.019 3.499 -10.461 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.406 3.901 -10.921 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.308 4.608 -10.270 1.00 0.00 C ATOM 1411 C ALA A 95 0.839 4.841 -11.236 1.00 0.00 C ATOM 1412 O ALA A 95 1.462 5.894 -11.212 1.00 0.00 O ATOM 1413 CB ALA A 95 0.172 3.879 -9.041 1.00 0.00 C ATOM 0 H ALA A 95 -1.543 2.940 -10.607 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.691 5.578 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.990 4.436 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.648 3.788 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.522 2.885 -9.321 1.00 0.00 H new ATOM 1419 N LYS A 96 1.103 3.870 -12.104 1.00 0.00 N ATOM 1420 CA LYS A 96 2.153 4.017 -13.094 1.00 0.00 C ATOM 1421 C LYS A 96 1.917 5.347 -13.794 1.00 0.00 C ATOM 1422 O LYS A 96 2.839 6.107 -14.103 1.00 0.00 O ATOM 1423 CB LYS A 96 2.107 2.868 -14.104 1.00 0.00 C ATOM 1424 CG LYS A 96 3.478 2.325 -14.470 1.00 0.00 C ATOM 1425 CD LYS A 96 3.540 1.911 -15.932 1.00 0.00 C ATOM 1426 CE LYS A 96 3.352 0.411 -16.094 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.280 0.090 -17.076 1.00 0.00 N ATOM 0 H LYS A 96 0.606 2.980 -12.139 1.00 0.00 H new ATOM 0 HA LYS A 96 3.135 3.993 -12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.503 2.059 -13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.608 3.211 -15.010 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.236 3.083 -14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.712 1.469 -13.838 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.769 2.438 -16.494 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.500 2.206 -16.355 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.290 -0.040 -16.420 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.104 -0.030 -15.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.182 -0.942 -17.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.380 0.498 -16.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.528 0.489 -18.004 1.00 0.00 H new ATOM 1441 N LYS A 97 0.629 5.619 -13.979 1.00 0.00 N ATOM 1442 CA LYS A 97 0.167 6.855 -14.586 1.00 0.00 C ATOM 1443 C LYS A 97 0.197 7.979 -13.557 1.00 0.00 C ATOM 1444 O LYS A 97 0.435 9.139 -13.896 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.247 6.685 -15.145 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.634 7.753 -16.156 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.130 8.017 -16.142 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.699 8.073 -17.551 1.00 0.00 C ATOM 1449 NZ LYS A 97 -4.049 9.463 -17.954 1.00 0.00 N ATOM 0 H LYS A 97 -0.123 4.984 -13.710 1.00 0.00 H new ATOM 0 HA LYS A 97 0.832 7.110 -15.411 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.327 5.705 -15.615 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.959 6.702 -14.320 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.098 8.676 -15.935 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.328 7.439 -17.154 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.634 7.233 -15.576 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.330 8.958 -15.630 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.972 7.664 -18.253 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.587 7.444 -17.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.433 9.458 -18.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.762 9.845 -17.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.197 10.058 -17.924 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.030 7.623 -12.293 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.011 8.600 -11.215 1.00 0.00 C ATOM 1465 C ILE A 98 1.385 9.206 -11.072 1.00 0.00 C ATOM 1466 O ILE A 98 1.549 10.426 -11.032 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.457 7.987 -9.871 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.951 7.639 -9.921 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.176 8.951 -8.726 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.424 6.825 -8.735 1.00 0.00 C ATOM 0 H ILE A 98 -0.228 6.668 -11.995 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.723 9.383 -11.476 1.00 0.00 H new ATOM 0 HB ILE A 98 0.111 7.073 -9.698 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.529 8.562 -9.971 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.156 7.084 -10.837 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.497 8.503 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.893 9.162 -8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.722 9.880 -8.890 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.489 6.617 -8.838 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.873 5.886 -8.695 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.252 7.386 -7.817 1.00 0.00 H new ATOM 1482 N VAL A 99 2.384 8.333 -10.996 1.00 0.00 N ATOM 1483 CA VAL A 99 3.772 8.753 -10.859 1.00 0.00 C ATOM 1484 C VAL A 99 4.298 9.344 -12.163 1.00 0.00 C ATOM 1485 O VAL A 99 5.245 10.130 -12.159 1.00 0.00 O ATOM 1486 CB VAL A 99 4.680 7.592 -10.411 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.066 6.711 -11.589 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.918 8.127 -9.706 1.00 0.00 C ATOM 0 H VAL A 99 2.255 7.322 -11.027 1.00 0.00 H new ATOM 0 HA VAL A 99 3.794 9.521 -10.086 1.00 0.00 H new ATOM 0 HB VAL A 99 4.121 6.977 -9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.707 5.900 -11.242 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.166 6.294 -12.042 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.602 7.306 -12.328 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.549 7.294 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.475 8.770 -10.387 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.618 8.701 -8.829 1.00 0.00 H new ATOM 1498 N SER A 100 3.665 8.979 -13.279 1.00 0.00 N ATOM 1499 CA SER A 100 4.065 9.499 -14.582 1.00 0.00 C ATOM 1500 C SER A 100 3.349 10.819 -14.858 1.00 0.00 C ATOM 1501 O SER A 100 3.669 11.529 -15.811 1.00 0.00 O ATOM 1502 CB SER A 100 3.746 8.489 -15.685 1.00 0.00 C ATOM 1503 OG SER A 100 4.470 8.780 -16.868 1.00 0.00 O ATOM 0 H SER A 100 2.879 8.330 -13.305 1.00 0.00 H new ATOM 0 HA SER A 100 5.141 9.671 -14.572 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.991 7.483 -15.343 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.677 8.502 -15.897 1.00 0.00 H new ATOM 0 HG SER A 100 4.448 9.745 -17.036 1.00 0.00 H new ATOM 1509 N ASP A 101 2.377 11.135 -14.006 1.00 0.00 N ATOM 1510 CA ASP A 101 1.603 12.365 -14.137 1.00 0.00 C ATOM 1511 C ASP A 101 2.368 13.552 -13.560 1.00 0.00 C ATOM 1512 O ASP A 101 1.938 14.700 -13.682 1.00 0.00 O ATOM 1513 CB ASP A 101 0.253 12.221 -13.431 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.916 12.368 -14.385 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.122 11.459 -15.216 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.625 13.393 -14.301 1.00 0.00 O ATOM 0 H ASP A 101 2.106 10.552 -13.214 1.00 0.00 H new ATOM 0 HA ASP A 101 1.432 12.546 -15.198 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.202 11.246 -12.945 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.175 12.973 -12.646 1.00 0.00 H new ATOM 1521 N GLY A 102 3.506 13.267 -12.935 1.00 0.00 N ATOM 1522 CA GLY A 102 4.317 14.320 -12.351 1.00 0.00 C ATOM 1523 C GLY A 102 4.623 14.083 -10.885 1.00 0.00 C ATOM 1524 O GLY A 102 5.297 14.894 -10.249 1.00 0.00 O ATOM 0 H GLY A 102 3.881 12.325 -12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.253 14.400 -12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.800 15.273 -12.460 1.00 0.00 H new ATOM 1528 N ASN A 103 4.132 12.972 -10.347 1.00 0.00 N ATOM 1529 CA ASN A 103 4.364 12.635 -8.946 1.00 0.00 C ATOM 1530 C ASN A 103 5.820 12.244 -8.720 1.00 0.00 C ATOM 1531 O ASN A 103 6.719 12.786 -9.365 1.00 0.00 O ATOM 1532 CB ASN A 103 3.428 11.508 -8.510 1.00 0.00 C ATOM 1533 CG ASN A 103 2.189 12.038 -7.816 1.00 0.00 C ATOM 1534 OD1 ASN A 103 2.282 12.752 -6.817 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.021 11.697 -8.346 1.00 0.00 N ATOM 0 H ASN A 103 3.572 12.290 -10.858 1.00 0.00 H new ATOM 0 HA ASN A 103 4.152 13.515 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.134 10.923 -9.381 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.960 10.834 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.153 12.029 -7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.991 11.103 -9.175 1.00 0.00 H new ATOM 1542 N GLY A 104 6.059 11.306 -7.808 1.00 0.00 N ATOM 1543 CA GLY A 104 7.418 10.876 -7.531 1.00 0.00 C ATOM 1544 C GLY A 104 7.538 10.169 -6.192 1.00 0.00 C ATOM 1545 O GLY A 104 8.551 10.306 -5.506 1.00 0.00 O ATOM 0 H GLY A 104 5.339 10.838 -7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.754 10.207 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.080 11.742 -7.543 1.00 0.00 H new ATOM 1549 N MET A 105 6.482 9.438 -5.816 1.00 0.00 N ATOM 1550 CA MET A 105 6.426 8.716 -4.546 1.00 0.00 C ATOM 1551 C MET A 105 5.980 9.659 -3.445 1.00 0.00 C ATOM 1552 O MET A 105 5.983 9.311 -2.264 1.00 0.00 O ATOM 1553 CB MET A 105 7.777 8.084 -4.191 1.00 0.00 C ATOM 1554 CG MET A 105 8.349 7.204 -5.292 1.00 0.00 C ATOM 1555 SD MET A 105 7.085 6.256 -6.160 1.00 0.00 S ATOM 1556 CE MET A 105 6.333 5.371 -4.797 1.00 0.00 C ATOM 0 H MET A 105 5.643 9.332 -6.386 1.00 0.00 H new ATOM 0 HA MET A 105 5.705 7.905 -4.648 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.490 8.876 -3.964 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.663 7.489 -3.285 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.884 7.828 -6.008 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.078 6.518 -4.860 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.127 4.344 -5.099 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.013 5.369 -3.945 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.401 5.860 -4.516 1.00 0.00 H new ATOM 1566 N ASN A 106 5.594 10.861 -3.853 1.00 0.00 N ATOM 1567 CA ASN A 106 5.138 11.884 -2.931 1.00 0.00 C ATOM 1568 C ASN A 106 3.620 11.852 -2.777 1.00 0.00 C ATOM 1569 O ASN A 106 3.087 12.214 -1.728 1.00 0.00 O ATOM 1570 CB ASN A 106 5.581 13.253 -3.438 1.00 0.00 C ATOM 1571 CG ASN A 106 6.929 13.671 -2.883 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.031 14.644 -2.137 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.973 12.935 -3.246 1.00 0.00 N ATOM 0 H ASN A 106 5.589 11.150 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 106 5.578 11.691 -1.953 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.630 13.235 -4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.833 13.997 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.905 13.168 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.843 12.136 -3.867 1.00 0.00 H new ATOM 1580 N ALA A 107 2.931 11.413 -3.828 1.00 0.00 N ATOM 1581 CA ALA A 107 1.475 11.331 -3.805 1.00 0.00 C ATOM 1582 C ALA A 107 1.003 10.526 -2.602 1.00 0.00 C ATOM 1583 O ALA A 107 0.043 10.896 -1.926 1.00 0.00 O ATOM 1584 CB ALA A 107 0.957 10.708 -5.091 1.00 0.00 C ATOM 0 H ALA A 107 3.357 11.110 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 107 1.077 12.342 -3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.131 10.654 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.264 11.318 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.366 9.704 -5.199 1.00 0.00 H new ATOM 1590 N TRP A 108 1.694 9.423 -2.343 1.00 0.00 N ATOM 1591 CA TRP A 108 1.365 8.557 -1.222 1.00 0.00 C ATOM 1592 C TRP A 108 1.994 9.093 0.063 1.00 0.00 C ATOM 1593 O TRP A 108 3.209 9.276 0.147 1.00 0.00 O ATOM 1594 CB TRP A 108 1.826 7.129 -1.523 1.00 0.00 C ATOM 1595 CG TRP A 108 1.281 6.617 -2.826 1.00 0.00 C ATOM 1596 CD1 TRP A 108 0.135 5.895 -3.007 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.848 6.802 -4.130 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.044 5.621 -4.344 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.994 6.165 -5.053 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.994 7.443 -4.608 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 1.251 6.153 -6.426 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.249 7.430 -5.967 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.381 6.790 -6.861 1.00 0.00 C ATOM 0 H TRP A 108 2.489 9.107 -2.898 1.00 0.00 H new ATOM 0 HA TRP A 108 0.285 8.542 -1.077 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.915 7.099 -1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.510 6.469 -0.715 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.533 5.585 -2.217 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -0.824 5.098 -4.742 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.669 7.940 -3.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.584 5.660 -7.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.133 7.922 -6.346 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.609 6.800 -7.917 1.00 0.00 H new ATOM 1614 N VAL A 109 1.146 9.373 1.048 1.00 0.00 N ATOM 1615 CA VAL A 109 1.586 9.926 2.327 1.00 0.00 C ATOM 1616 C VAL A 109 2.344 8.921 3.182 1.00 0.00 C ATOM 1617 O VAL A 109 3.152 9.307 4.026 1.00 0.00 O ATOM 1618 CB VAL A 109 0.409 10.449 3.145 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.780 11.742 3.854 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.829 10.639 2.282 1.00 0.00 C ATOM 0 H VAL A 109 0.139 9.224 0.984 1.00 0.00 H new ATOM 0 HA VAL A 109 2.260 10.742 2.066 1.00 0.00 H new ATOM 0 HB VAL A 109 0.170 9.700 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.073 12.098 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.621 11.562 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.058 12.495 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.648 11.012 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.614 11.356 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.114 9.685 1.839 1.00 0.00 H new ATOM 1630 N ALA A 110 2.091 7.639 2.970 1.00 0.00 N ATOM 1631 CA ALA A 110 2.769 6.603 3.740 1.00 0.00 C ATOM 1632 C ALA A 110 4.254 6.575 3.416 1.00 0.00 C ATOM 1633 O ALA A 110 5.065 6.095 4.207 1.00 0.00 O ATOM 1634 CB ALA A 110 2.139 5.247 3.476 1.00 0.00 C ATOM 0 H ALA A 110 1.427 7.291 2.278 1.00 0.00 H new ATOM 0 HA ALA A 110 2.657 6.836 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.657 4.485 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.088 5.272 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.219 5.009 2.415 1.00 0.00 H new ATOM 1640 N TRP A 111 4.604 7.106 2.252 1.00 0.00 N ATOM 1641 CA TRP A 111 5.994 7.153 1.834 1.00 0.00 C ATOM 1642 C TRP A 111 6.672 8.392 2.407 1.00 0.00 C ATOM 1643 O TRP A 111 7.837 8.343 2.802 1.00 0.00 O ATOM 1644 CB TRP A 111 6.107 7.128 0.307 1.00 0.00 C ATOM 1645 CG TRP A 111 7.522 7.169 -0.190 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.296 6.101 -0.544 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.333 8.335 -0.388 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.537 6.530 -0.950 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.584 7.897 -0.864 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.123 9.706 -0.213 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.618 8.780 -1.165 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.151 10.581 -0.510 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.384 10.115 -0.982 1.00 0.00 C ATOM 0 H TRP A 111 3.946 7.508 1.585 1.00 0.00 H new ATOM 0 HA TRP A 111 6.501 6.269 2.220 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.624 6.227 -0.070 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.561 7.978 -0.104 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.979 5.069 -0.510 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.299 5.929 -1.264 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.174 10.075 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.570 8.424 -1.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 9.001 11.642 -0.376 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.167 10.825 -1.206 1.00 0.00 H new ATOM 1664 N ARG A 112 5.940 9.505 2.472 1.00 0.00 N ATOM 1665 CA ARG A 112 6.479 10.742 3.024 1.00 0.00 C ATOM 1666 C ARG A 112 6.156 10.858 4.509 1.00 0.00 C ATOM 1667 O ARG A 112 5.737 11.914 4.984 1.00 0.00 O ATOM 1668 CB ARG A 112 5.897 11.937 2.287 1.00 0.00 C ATOM 1669 CG ARG A 112 6.874 12.609 1.337 1.00 0.00 C ATOM 1670 CD ARG A 112 7.609 13.756 2.012 1.00 0.00 C ATOM 1671 NE ARG A 112 7.448 15.012 1.286 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.370 16.202 1.878 1.00 0.00 C ATOM 1673 NH1 ARG A 112 7.439 16.295 3.198 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.223 17.298 1.146 1.00 0.00 N ATOM 0 H ARG A 112 4.975 9.572 2.149 1.00 0.00 H new ATOM 0 HA ARG A 112 7.562 10.726 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 112 5.022 11.613 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.553 12.670 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.595 11.876 0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.337 12.983 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.237 13.875 3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 112 8.669 13.514 2.086 1.00 0.00 H new ATOM 0 HE ARG A 112 7.392 14.976 0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.552 15.454 3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 112 7.379 17.208 3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.170 17.229 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.163 18.210 1.599 1.00 0.00 H new ATOM 1688 N ASN A 113 6.356 9.773 5.234 1.00 0.00 N ATOM 1689 CA ASN A 113 6.088 9.758 6.668 1.00 0.00 C ATOM 1690 C ASN A 113 6.928 8.702 7.371 1.00 0.00 C ATOM 1691 O ASN A 113 7.752 9.017 8.230 1.00 0.00 O ATOM 1692 CB ASN A 113 4.603 9.500 6.927 1.00 0.00 C ATOM 1693 CG ASN A 113 4.038 10.407 8.002 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.103 11.631 7.895 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.479 9.807 9.048 1.00 0.00 N ATOM 0 H ASN A 113 6.702 8.890 4.858 1.00 0.00 H new ATOM 0 HA ASN A 113 6.357 10.734 7.071 1.00 0.00 H new ATOM 0 HB2 ASN A 113 4.045 9.646 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.464 8.460 7.223 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.082 10.365 9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.447 8.789 9.095 1.00 0.00 H new ATOM 1702 N ARG A 114 6.704 7.449 7.006 1.00 0.00 N ATOM 1703 CA ARG A 114 7.428 6.337 7.602 1.00 0.00 C ATOM 1704 C ARG A 114 8.527 5.828 6.677 1.00 0.00 C ATOM 1705 O ARG A 114 9.237 4.879 7.010 1.00 0.00 O ATOM 1706 CB ARG A 114 6.460 5.203 7.925 1.00 0.00 C ATOM 1707 CG ARG A 114 5.874 5.280 9.325 1.00 0.00 C ATOM 1708 CD ARG A 114 6.807 4.661 10.355 1.00 0.00 C ATOM 1709 NE ARG A 114 7.661 5.661 10.990 1.00 0.00 N ATOM 1710 CZ ARG A 114 8.959 5.485 11.219 1.00 0.00 C ATOM 1711 NH1 ARG A 114 9.551 4.352 10.863 1.00 0.00 N ATOM 1712 NH2 ARG A 114 9.666 6.442 11.802 1.00 0.00 N ATOM 0 H ARG A 114 6.024 7.176 6.297 1.00 0.00 H new ATOM 0 HA ARG A 114 7.896 6.694 8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.647 5.214 7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.978 4.251 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.684 6.322 9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.913 4.766 9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.218 4.150 11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.429 3.906 9.874 1.00 0.00 H new ATOM 0 HE ARG A 114 7.238 6.545 11.274 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.010 3.614 10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.547 4.219 11.040 1.00 0.00 H new ATOM 0 HH21 ARG A 114 9.215 7.315 12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.662 6.306 11.977 1.00 0.00 H new ATOM 1726 N CYS A 115 8.656 6.450 5.511 1.00 0.00 N ATOM 1727 CA CYS A 115 9.663 6.036 4.543 1.00 0.00 C ATOM 1728 C CYS A 115 10.719 7.111 4.320 1.00 0.00 C ATOM 1729 O CYS A 115 11.915 6.820 4.319 1.00 0.00 O ATOM 1730 CB CYS A 115 9.005 5.682 3.214 1.00 0.00 C ATOM 1731 SG CYS A 115 10.044 4.650 2.138 1.00 0.00 S ATOM 0 H CYS A 115 8.080 7.238 5.215 1.00 0.00 H new ATOM 0 HA CYS A 115 10.161 5.157 4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.069 5.160 3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.753 6.602 2.687 1.00 0.00 H new ATOM 1736 N LYS A 116 10.277 8.347 4.112 1.00 0.00 N ATOM 1737 CA LYS A 116 11.193 9.457 3.871 1.00 0.00 C ATOM 1738 C LYS A 116 12.259 9.542 4.958 1.00 0.00 C ATOM 1739 O LYS A 116 12.034 10.121 6.020 1.00 0.00 O ATOM 1740 CB LYS A 116 10.420 10.775 3.796 1.00 0.00 C ATOM 1741 CG LYS A 116 11.094 11.828 2.932 1.00 0.00 C ATOM 1742 CD LYS A 116 11.936 12.779 3.768 1.00 0.00 C ATOM 1743 CE LYS A 116 11.166 14.043 4.116 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.949 14.908 2.923 1.00 0.00 N ATOM 0 H LYS A 116 9.290 8.606 4.105 1.00 0.00 H new ATOM 0 HA LYS A 116 11.692 9.277 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.422 10.579 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.294 11.170 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.724 11.341 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.337 12.393 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.251 12.279 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 116 12.842 13.042 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.203 13.774 4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.712 14.603 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.462 15.804 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.301 14.422 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.933 15.102 2.815 1.00 0.00 H new ATOM 1758 N GLY A 117 13.426 8.966 4.681 1.00 0.00 N ATOM 1759 CA GLY A 117 14.512 8.995 5.641 1.00 0.00 C ATOM 1760 C GLY A 117 15.014 7.613 6.013 1.00 0.00 C ATOM 1761 O GLY A 117 15.808 7.470 6.943 1.00 0.00 O ATOM 0 H GLY A 117 13.637 8.481 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.337 9.576 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.178 9.509 6.543 1.00 0.00 H new ATOM 1765 N THR A 118 14.558 6.591 5.292 1.00 0.00 N ATOM 1766 CA THR A 118 14.977 5.220 5.564 1.00 0.00 C ATOM 1767 C THR A 118 15.726 4.631 4.369 1.00 0.00 C ATOM 1768 O THR A 118 16.383 5.359 3.623 1.00 0.00 O ATOM 1769 CB THR A 118 13.770 4.323 5.901 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.893 4.236 4.770 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.007 4.869 7.099 1.00 0.00 C ATOM 0 H THR A 118 13.901 6.687 4.518 1.00 0.00 H new ATOM 0 HA THR A 118 15.644 5.252 6.426 1.00 0.00 H new ATOM 0 HB THR A 118 14.142 3.329 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.535 5.125 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.160 4.219 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.668 4.907 7.965 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.646 5.873 6.874 1.00 0.00 H new ATOM 1779 N ASP A 119 15.629 3.314 4.191 1.00 0.00 N ATOM 1780 CA ASP A 119 16.305 2.645 3.087 1.00 0.00 C ATOM 1781 C ASP A 119 15.400 1.630 2.399 1.00 0.00 C ATOM 1782 O ASP A 119 15.172 0.534 2.911 1.00 0.00 O ATOM 1783 CB ASP A 119 17.561 1.967 3.574 1.00 0.00 C ATOM 1784 CG ASP A 119 18.639 1.900 2.510 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.504 1.077 1.579 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.617 2.670 2.606 1.00 0.00 O ATOM 0 H ASP A 119 15.091 2.694 4.796 1.00 0.00 H new ATOM 0 HA ASP A 119 16.567 3.409 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.945 2.503 4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.319 0.957 3.905 1.00 0.00 H new ATOM 1791 N VAL A 120 14.894 2.004 1.230 1.00 0.00 N ATOM 1792 CA VAL A 120 14.019 1.139 0.452 1.00 0.00 C ATOM 1793 C VAL A 120 14.820 0.030 -0.212 1.00 0.00 C ATOM 1794 O VAL A 120 14.325 -1.082 -0.398 1.00 0.00 O ATOM 1795 CB VAL A 120 13.259 1.932 -0.629 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.302 2.924 0.011 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.233 2.643 -1.557 1.00 0.00 C ATOM 0 H VAL A 120 15.078 2.909 0.798 1.00 0.00 H new ATOM 0 HA VAL A 120 13.294 0.706 1.141 1.00 0.00 H new ATOM 0 HB VAL A 120 12.675 1.230 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.774 3.475 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.581 2.388 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.863 3.622 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.677 3.197 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.847 3.334 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.874 1.908 -2.044 1.00 0.00 H new ATOM 1807 N GLN A 121 16.069 0.335 -0.555 1.00 0.00 N ATOM 1808 CA GLN A 121 16.946 -0.644 -1.178 1.00 0.00 C ATOM 1809 C GLN A 121 17.108 -1.839 -0.251 1.00 0.00 C ATOM 1810 O GLN A 121 17.412 -2.949 -0.687 1.00 0.00 O ATOM 1811 CB GLN A 121 18.311 -0.026 -1.488 1.00 0.00 C ATOM 1812 CG GLN A 121 18.373 0.666 -2.840 1.00 0.00 C ATOM 1813 CD GLN A 121 17.833 2.082 -2.796 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.258 2.895 -1.976 1.00 0.00 O ATOM 1815 NE2 GLN A 121 16.890 2.383 -3.681 1.00 0.00 N ATOM 0 H GLN A 121 16.493 1.251 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 121 16.501 -0.972 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.560 0.694 -0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.070 -0.807 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.406 0.686 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.804 0.087 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 121 16.568 1.677 -4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 121 16.488 3.320 -3.699 1.00 0.00 H new ATOM 1824 N ALA A 122 16.883 -1.593 1.037 1.00 0.00 N ATOM 1825 CA ALA A 122 16.980 -2.632 2.047 1.00 0.00 C ATOM 1826 C ALA A 122 15.631 -3.315 2.234 1.00 0.00 C ATOM 1827 O ALA A 122 15.561 -4.450 2.706 1.00 0.00 O ATOM 1828 CB ALA A 122 17.470 -2.049 3.363 1.00 0.00 C ATOM 0 H ALA A 122 16.631 -0.675 1.403 1.00 0.00 H new ATOM 0 HA ALA A 122 17.701 -3.377 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.537 -2.841 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.454 -1.602 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.771 -1.286 3.706 1.00 0.00 H new ATOM 1834 N TRP A 123 14.560 -2.618 1.853 1.00 0.00 N ATOM 1835 CA TRP A 123 13.213 -3.170 1.973 1.00 0.00 C ATOM 1836 C TRP A 123 13.059 -4.420 1.112 1.00 0.00 C ATOM 1837 O TRP A 123 12.141 -5.216 1.312 1.00 0.00 O ATOM 1838 CB TRP A 123 12.165 -2.131 1.571 1.00 0.00 C ATOM 1839 CG TRP A 123 11.686 -1.289 2.715 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.528 0.066 2.720 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.296 -1.741 4.020 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.071 0.481 3.947 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.922 -0.613 4.757 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.230 -2.989 4.636 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.490 -0.704 6.073 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.800 -3.077 5.941 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.434 -1.938 6.649 1.00 0.00 C ATOM 0 H TRP A 123 14.599 -1.677 1.462 1.00 0.00 H new ATOM 0 HA TRP A 123 13.057 -3.443 3.017 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.585 -1.481 0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.312 -2.642 1.124 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.732 0.717 1.882 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.875 1.446 4.212 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.514 -3.879 4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.206 0.179 6.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.746 -4.043 6.421 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.100 -2.032 7.672 1.00 0.00 H new ATOM 1858 N ILE A 124 13.965 -4.587 0.153 1.00 0.00 N ATOM 1859 CA ILE A 124 13.934 -5.740 -0.739 1.00 0.00 C ATOM 1860 C ILE A 124 15.256 -6.498 -0.699 1.00 0.00 C ATOM 1861 O ILE A 124 15.515 -7.364 -1.535 1.00 0.00 O ATOM 1862 CB ILE A 124 13.638 -5.322 -2.192 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.585 -4.203 -2.628 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.188 -4.882 -2.331 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.396 -4.543 -3.859 1.00 0.00 C ATOM 0 H ILE A 124 14.730 -3.937 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 124 13.133 -6.390 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 124 13.800 -6.182 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.004 -3.302 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.264 -3.973 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.994 -4.590 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.530 -5.707 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.000 -4.034 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.045 -3.704 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.004 -5.426 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.724 -4.744 -4.693 1.00 0.00 H new ATOM 1877 N ARG A 125 16.090 -6.164 0.281 1.00 0.00 N ATOM 1878 CA ARG A 125 17.389 -6.809 0.436 1.00 0.00 C ATOM 1879 C ARG A 125 17.228 -8.271 0.840 1.00 0.00 C ATOM 1880 O ARG A 125 16.958 -8.579 2.001 1.00 0.00 O ATOM 1881 CB ARG A 125 18.228 -6.070 1.481 1.00 0.00 C ATOM 1882 CG ARG A 125 19.722 -6.303 1.337 1.00 0.00 C ATOM 1883 CD ARG A 125 20.247 -7.238 2.414 1.00 0.00 C ATOM 1884 NE ARG A 125 21.620 -6.919 2.795 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.690 -7.466 2.225 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.545 -8.355 1.250 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.906 -7.123 2.627 1.00 0.00 N ATOM 0 H ARG A 125 15.889 -5.449 0.980 1.00 0.00 H new ATOM 0 HA ARG A 125 17.901 -6.771 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.027 -5.001 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.914 -6.385 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.932 -6.724 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.247 -5.350 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.604 -7.177 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.200 -8.266 2.055 1.00 0.00 H new ATOM 0 HE ARG A 125 21.767 -6.238 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.611 -8.620 0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.367 -8.773 0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.022 -6.439 3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.726 -7.543 2.189 1.00 0.00 H new ATOM 1901 N GLY A 126 17.397 -9.170 -0.127 1.00 0.00 N ATOM 1902 CA GLY A 126 17.267 -10.589 0.147 1.00 0.00 C ATOM 1903 C GLY A 126 16.042 -11.199 -0.506 1.00 0.00 C ATOM 1904 O GLY A 126 15.850 -12.415 -0.467 1.00 0.00 O ATOM 0 H GLY A 126 17.622 -8.940 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.159 -11.107 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.215 -10.744 1.225 1.00 0.00 H new ATOM 1908 N CYS A 127 15.210 -10.353 -1.107 1.00 0.00 N ATOM 1909 CA CYS A 127 13.999 -10.812 -1.769 1.00 0.00 C ATOM 1910 C CYS A 127 14.319 -11.643 -3.005 1.00 0.00 C ATOM 1911 O CYS A 127 15.481 -11.941 -3.282 1.00 0.00 O ATOM 1912 CB CYS A 127 13.131 -9.627 -2.142 1.00 0.00 C ATOM 1913 SG CYS A 127 11.921 -9.157 -0.864 1.00 0.00 S ATOM 0 H CYS A 127 15.355 -9.344 -1.148 1.00 0.00 H new ATOM 0 HA CYS A 127 13.456 -11.450 -1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.773 -8.771 -2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.598 -9.857 -3.064 1.00 0.00 H new ATOM 1918 N ARG A 128 13.281 -12.015 -3.747 1.00 0.00 N ATOM 1919 CA ARG A 128 13.450 -12.815 -4.954 1.00 0.00 C ATOM 1920 C ARG A 128 12.927 -12.070 -6.179 1.00 0.00 C ATOM 1921 O ARG A 128 11.882 -12.417 -6.730 1.00 0.00 O ATOM 1922 CB ARG A 128 12.728 -14.156 -4.809 1.00 0.00 C ATOM 1923 CG ARG A 128 13.618 -15.359 -5.075 1.00 0.00 C ATOM 1924 CD ARG A 128 12.977 -16.318 -6.065 1.00 0.00 C ATOM 1925 NE ARG A 128 13.967 -16.962 -6.923 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.655 -17.727 -7.965 1.00 0.00 C ATOM 1927 NH1 ARG A 128 12.383 -17.944 -8.275 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.613 -18.276 -8.697 1.00 0.00 N ATOM 0 H ARG A 128 12.313 -11.775 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 128 14.516 -12.999 -5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.320 -14.232 -3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.883 -14.180 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.580 -15.023 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 128 13.817 -15.880 -4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.418 -17.080 -5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.260 -15.776 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 128 14.954 -16.817 -6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.642 -17.524 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.146 -18.531 -9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.592 -18.112 -8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.372 -18.863 -9.496 1.00 0.00 H new ATOM 1942 N LEU A 129 13.663 -11.045 -6.601 1.00 0.00 N ATOM 1943 CA LEU A 129 13.274 -10.252 -7.762 1.00 0.00 C ATOM 1944 C LEU A 129 14.494 -9.872 -8.595 1.00 0.00 C ATOM 1945 O LEU A 129 15.606 -9.834 -8.029 1.00 0.00 O ATOM 1946 CB LEU A 129 12.533 -8.989 -7.317 1.00 0.00 C ATOM 1947 CG LEU A 129 13.289 -8.112 -6.318 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.751 -6.824 -6.983 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.416 -7.807 -5.110 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.326 -9.618 -9.805 1.00 0.00 O ATOM 0 H LEU A 129 14.531 -10.745 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 129 12.610 -10.857 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.302 -8.392 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.582 -9.282 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 129 14.169 -8.657 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.287 -6.212 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.412 -7.062 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.885 -6.274 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.970 -7.182 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.518 -7.281 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.134 -8.739 -4.620 1.00 0.00 H new TER 1962 LEU A 129