USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 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= -0.761 K(o=-0.74,f=-1.5) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0165 USER MOD Set 2.1: A 74 ASN : amide:sc= -5.04! X(o=-5.4!,f=-5) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.364 K(o=-5.4,f=-6) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.0836 X(o=0.26,f=0.095) USER MOD Set 3.2: A 72 SER OG : rot 130:sc= 0.174 USER MOD Set 4.1: A 51 THR OG1 : rot 166:sc= 0.00598 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0.0129 USER MOD Set 5.1: A 24 SER OG : rot -33:sc= 1.22 USER MOD Set 5.2: A 27 ASN : amide:sc= -3.04! C(o=-1.8!,f=-6.7!) USER MOD Set 6.1: A 1 LYS N :NH3+ -129:sc= 0.522 (180deg=0) USER MOD Set 6.2: A 41 GLN :FLIP amide:sc= 0.484 F(o=-0.45,f=1) USER MOD Single : A 1 LYS NZ :NH3+ -128:sc= -0.137 (180deg=-0.555) USER MOD Single : A 12 MET CE :methyl -153:sc= -11.4! (180deg=-13.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.274 F(o=-1.2,f=-0.27) USER MOD Single : A 20 TYR OH : rot 150:sc= -0.223 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= 1.81 (180deg=0.0746) USER MOD Single : A 36 SER OG : rot -93:sc= -1.98! USER MOD Single : A 37 ASN : amide:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.785 K(o=-0.78,f=-5.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00257 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 40:sc= 0.522 USER MOD Single : A 57 GLN : amide:sc= -1.51! C(o=-1.5!,f=-2.2!) USER MOD Single : A 59 ASN : amide:sc= -2.67! C(o=-2.7!,f=-6.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 67:sc= 0.403 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.102 USER MOD Single : A 86 SER OG : rot -52:sc= 0.125 USER MOD Single : A 91 SER OG : rot -160:sc= -1.27 USER MOD Single : A 93 ASN : amide:sc= -0.0841 X(o=-0.084,f=0.21) 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 180:sc= -0.295 USER MOD Single : A 103 ASN : amide:sc= -1.8! C(o=-1.8!,f=-1.6!) USER MOD Single : A 105 MET CE :methyl -133:sc= -0.452 (180deg=-2.81) USER MOD Single : A 106 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.011) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.459 -9.816 0.953 1.00 0.00 N ATOM 2 CA LYS A 1 -6.175 -10.495 0.640 1.00 0.00 C ATOM 3 C LYS A 1 -5.014 -9.505 0.636 1.00 0.00 C ATOM 4 O LYS A 1 -5.021 -8.529 -0.114 1.00 0.00 O ATOM 5 CB LYS A 1 -6.300 -11.166 -0.730 1.00 0.00 C ATOM 6 CG LYS A 1 -5.364 -12.348 -0.916 1.00 0.00 C ATOM 7 CD LYS A 1 -5.413 -12.880 -2.339 1.00 0.00 C ATOM 8 CE LYS A 1 -4.242 -13.803 -2.630 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.936 -13.097 -2.521 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.943 -10.325 1.720 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.271 -8.838 1.252 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.063 -9.809 0.107 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.968 -11.241 1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.328 -11.502 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.099 -10.428 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.345 -12.048 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.636 -13.142 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.348 -13.417 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.403 -12.046 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.260 -14.642 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.348 -14.218 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.382 -13.256 -3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.102 -12.078 -2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.411 -13.463 -1.702 1.00 0.00 H new ATOM 25 N VAL A 2 -4.022 -9.762 1.481 1.00 0.00 N ATOM 26 CA VAL A 2 -2.854 -8.894 1.577 1.00 0.00 C ATOM 27 C VAL A 2 -1.611 -9.573 1.011 1.00 0.00 C ATOM 28 O VAL A 2 -1.297 -10.707 1.373 1.00 0.00 O ATOM 29 CB VAL A 2 -2.570 -8.489 3.041 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.267 -7.710 3.145 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.715 -7.670 3.608 1.00 0.00 C ATOM 0 H VAL A 2 -4.003 -10.565 2.110 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.081 -8.002 0.992 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.475 -9.404 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.089 -7.436 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.444 -8.328 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.334 -6.807 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.491 -7.397 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.845 -6.766 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.632 -8.258 3.579 1.00 0.00 H new ATOM 41 N PHE A 3 -0.887 -8.865 0.146 1.00 0.00 N ATOM 42 CA PHE A 3 0.337 -9.399 -0.431 1.00 0.00 C ATOM 43 C PHE A 3 1.442 -9.405 0.615 1.00 0.00 C ATOM 44 O PHE A 3 1.267 -8.893 1.721 1.00 0.00 O ATOM 45 CB PHE A 3 0.800 -8.547 -1.616 1.00 0.00 C ATOM 46 CG PHE A 3 -0.117 -8.561 -2.803 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.870 -9.680 -3.114 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.210 -7.447 -3.617 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.702 -9.684 -4.217 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.035 -7.446 -4.719 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.783 -8.565 -5.022 1.00 0.00 C ATOM 0 H PHE A 3 -1.128 -7.925 -0.167 1.00 0.00 H new ATOM 0 HA PHE A 3 0.131 -10.413 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.918 -7.517 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.784 -8.894 -1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.807 -10.558 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.372 -6.567 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.288 -10.561 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.097 -6.569 -5.346 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.430 -8.566 -5.887 1.00 0.00 H new ATOM 61 N GLY A 4 2.584 -9.963 0.250 1.00 0.00 N ATOM 62 CA GLY A 4 3.713 -10.000 1.156 1.00 0.00 C ATOM 63 C GLY A 4 4.673 -8.861 0.885 1.00 0.00 C ATOM 64 O GLY A 4 4.265 -7.807 0.396 1.00 0.00 O ATOM 0 H GLY A 4 2.751 -10.393 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.358 -9.942 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.235 -10.951 1.051 1.00 0.00 H new ATOM 68 N ARG A 5 5.947 -9.065 1.189 1.00 0.00 N ATOM 69 CA ARG A 5 6.952 -8.035 0.958 1.00 0.00 C ATOM 70 C ARG A 5 7.560 -8.173 -0.426 1.00 0.00 C ATOM 71 O ARG A 5 7.517 -7.238 -1.225 1.00 0.00 O ATOM 72 CB ARG A 5 8.046 -8.099 2.025 1.00 0.00 C ATOM 73 CG ARG A 5 7.507 -8.172 3.444 1.00 0.00 C ATOM 74 CD ARG A 5 8.198 -9.264 4.246 1.00 0.00 C ATOM 75 NE ARG A 5 8.090 -10.569 3.599 1.00 0.00 N ATOM 76 CZ ARG A 5 8.901 -11.590 3.859 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.876 -11.460 4.750 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.737 -12.746 3.229 1.00 0.00 N ATOM 0 H ARG A 5 6.309 -9.929 1.594 1.00 0.00 H new ATOM 0 HA ARG A 5 6.459 -7.065 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.674 -8.970 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.684 -7.220 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.649 -7.211 3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.434 -8.362 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.250 -9.009 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.758 -9.316 5.242 1.00 0.00 H new ATOM 0 HE ARG A 5 7.351 -10.705 2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.006 -10.574 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.496 -12.246 4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.988 -12.852 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.360 -13.529 3.429 1.00 0.00 H new ATOM 92 N CYS A 6 8.123 -9.338 -0.713 1.00 0.00 N ATOM 93 CA CYS A 6 8.729 -9.569 -2.011 1.00 0.00 C ATOM 94 C CYS A 6 7.699 -10.035 -3.023 1.00 0.00 C ATOM 95 O CYS A 6 7.769 -9.665 -4.185 1.00 0.00 O ATOM 96 CB CYS A 6 9.858 -10.581 -1.921 1.00 0.00 C ATOM 97 SG CYS A 6 10.873 -10.438 -0.416 1.00 0.00 S ATOM 0 H CYS A 6 8.172 -10.129 -0.070 1.00 0.00 H new ATOM 0 HA CYS A 6 9.142 -8.617 -2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.435 -11.585 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.503 -10.467 -2.792 1.00 0.00 H new ATOM 102 N GLU A 7 6.735 -10.837 -2.580 1.00 0.00 N ATOM 103 CA GLU A 7 5.694 -11.316 -3.483 1.00 0.00 C ATOM 104 C GLU A 7 5.179 -10.143 -4.303 1.00 0.00 C ATOM 105 O GLU A 7 5.157 -10.180 -5.537 1.00 0.00 O ATOM 106 CB GLU A 7 4.551 -11.960 -2.698 1.00 0.00 C ATOM 107 CG GLU A 7 3.918 -13.146 -3.407 1.00 0.00 C ATOM 108 CD GLU A 7 2.777 -13.757 -2.618 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.801 -13.034 -2.330 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.861 -14.959 -2.289 1.00 0.00 O ATOM 0 H GLU A 7 6.653 -11.164 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 7 6.111 -12.074 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.926 -12.285 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.784 -11.209 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.550 -12.827 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.679 -13.906 -3.586 1.00 0.00 H new ATOM 117 N LEU A 8 4.798 -9.087 -3.598 1.00 0.00 N ATOM 118 CA LEU A 8 4.315 -7.878 -4.234 1.00 0.00 C ATOM 119 C LEU A 8 5.429 -7.223 -5.044 1.00 0.00 C ATOM 120 O LEU A 8 5.185 -6.739 -6.146 1.00 0.00 O ATOM 121 CB LEU A 8 3.778 -6.902 -3.179 1.00 0.00 C ATOM 122 CG LEU A 8 3.184 -5.587 -3.713 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.261 -4.519 -3.826 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.498 -5.798 -5.057 1.00 0.00 C ATOM 0 H LEU A 8 4.816 -9.047 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 8 3.503 -8.141 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.011 -7.414 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.589 -6.658 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 8 2.432 -5.247 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.821 -3.597 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.696 -4.336 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.039 -4.858 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.088 -4.851 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.223 -6.171 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.692 -6.523 -4.944 1.00 0.00 H new ATOM 136 N ALA A 9 6.653 -7.211 -4.499 1.00 0.00 N ATOM 137 CA ALA A 9 7.785 -6.601 -5.194 1.00 0.00 C ATOM 138 C ALA A 9 8.045 -7.279 -6.533 1.00 0.00 C ATOM 139 O ALA A 9 8.117 -6.614 -7.564 1.00 0.00 O ATOM 140 CB ALA A 9 9.033 -6.633 -4.331 1.00 0.00 C ATOM 0 H ALA A 9 6.879 -7.613 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 9 7.527 -5.560 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.861 -6.173 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.851 -6.082 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.285 -7.667 -4.093 1.00 0.00 H new ATOM 146 N ALA A 10 8.175 -8.602 -6.518 1.00 0.00 N ATOM 147 CA ALA A 10 8.406 -9.353 -7.739 1.00 0.00 C ATOM 148 C ALA A 10 7.379 -8.952 -8.781 1.00 0.00 C ATOM 149 O ALA A 10 7.698 -8.806 -9.963 1.00 0.00 O ATOM 150 CB ALA A 10 8.342 -10.849 -7.468 1.00 0.00 C ATOM 0 H ALA A 10 8.124 -9.172 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 10 9.403 -9.124 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.518 -11.395 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.105 -11.119 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.358 -11.106 -7.077 1.00 0.00 H new ATOM 156 N ALA A 11 6.144 -8.750 -8.328 1.00 0.00 N ATOM 157 CA ALA A 11 5.075 -8.338 -9.221 1.00 0.00 C ATOM 158 C ALA A 11 5.372 -6.970 -9.795 1.00 0.00 C ATOM 159 O ALA A 11 5.098 -6.686 -10.960 1.00 0.00 O ATOM 160 CB ALA A 11 3.735 -8.347 -8.501 1.00 0.00 C ATOM 0 H ALA A 11 5.864 -8.865 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 11 5.015 -9.051 -10.043 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.950 -8.035 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.523 -9.353 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.771 -7.659 -7.656 1.00 0.00 H new ATOM 166 N MET A 12 5.952 -6.139 -8.957 1.00 0.00 N ATOM 167 CA MET A 12 6.324 -4.781 -9.349 1.00 0.00 C ATOM 168 C MET A 12 7.352 -4.816 -10.470 1.00 0.00 C ATOM 169 O MET A 12 7.198 -4.144 -11.490 1.00 0.00 O ATOM 170 CB MET A 12 6.909 -4.009 -8.168 1.00 0.00 C ATOM 171 CG MET A 12 6.148 -4.199 -6.871 1.00 0.00 C ATOM 172 SD MET A 12 4.569 -3.335 -6.870 1.00 0.00 S ATOM 173 CE MET A 12 5.100 -1.697 -7.347 1.00 0.00 C ATOM 0 H MET A 12 6.181 -6.374 -7.991 1.00 0.00 H new ATOM 0 HA MET A 12 5.419 -4.279 -9.692 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.943 -4.320 -8.020 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.928 -2.947 -8.414 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.977 -5.263 -6.705 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.756 -3.841 -6.040 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.403 -0.959 -6.950 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.096 -1.507 -6.948 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.125 -1.625 -8.434 1.00 0.00 H new ATOM 183 N LYS A 13 8.402 -5.608 -10.267 1.00 0.00 N ATOM 184 CA LYS A 13 9.464 -5.741 -11.255 1.00 0.00 C ATOM 185 C LYS A 13 8.870 -6.061 -12.616 1.00 0.00 C ATOM 186 O LYS A 13 9.177 -5.406 -13.612 1.00 0.00 O ATOM 187 CB LYS A 13 10.447 -6.837 -10.840 1.00 0.00 C ATOM 188 CG LYS A 13 11.884 -6.549 -11.244 1.00 0.00 C ATOM 189 CD LYS A 13 12.568 -7.791 -11.792 1.00 0.00 C ATOM 190 CE LYS A 13 13.790 -7.433 -12.621 1.00 0.00 C ATOM 191 NZ LYS A 13 13.502 -7.472 -14.082 1.00 0.00 N ATOM 0 H LYS A 13 8.538 -6.167 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 13 10.004 -4.796 -11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.401 -6.965 -9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.135 -7.781 -11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.900 -5.761 -11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.438 -6.178 -10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.864 -8.439 -10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.864 -8.355 -12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.136 -6.437 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.600 -8.126 -12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.361 -7.222 -14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.196 -8.429 -14.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.747 -6.792 -14.305 1.00 0.00 H new ATOM 205 N ARG A 14 8.006 -7.069 -12.647 1.00 0.00 N ATOM 206 CA ARG A 14 7.355 -7.471 -13.880 1.00 0.00 C ATOM 207 C ARG A 14 6.506 -6.328 -14.416 1.00 0.00 C ATOM 208 O ARG A 14 6.398 -6.137 -15.628 1.00 0.00 O ATOM 209 CB ARG A 14 6.485 -8.708 -13.647 1.00 0.00 C ATOM 210 CG ARG A 14 7.278 -10.002 -13.568 1.00 0.00 C ATOM 211 CD ARG A 14 6.558 -11.140 -14.272 1.00 0.00 C ATOM 212 NE ARG A 14 6.221 -12.226 -13.355 1.00 0.00 N ATOM 213 CZ ARG A 14 7.067 -13.192 -13.012 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.297 -13.209 -13.509 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.684 -14.142 -12.170 1.00 0.00 N ATOM 0 H ARG A 14 7.743 -7.620 -11.830 1.00 0.00 H new ATOM 0 HA ARG A 14 8.121 -7.720 -14.614 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.924 -8.578 -12.722 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.756 -8.787 -14.454 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.260 -9.857 -14.019 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.443 -10.266 -12.523 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.647 -10.761 -14.735 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.187 -11.525 -15.074 1.00 0.00 H new ATOM 0 HE ARG A 14 5.283 -12.244 -12.955 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.596 -12.479 -14.156 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.944 -13.952 -13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.739 -14.132 -11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.334 -14.883 -11.907 1.00 0.00 H new ATOM 229 N HIS A 15 5.879 -5.584 -13.505 1.00 0.00 N ATOM 230 CA HIS A 15 5.013 -4.479 -13.886 1.00 0.00 C ATOM 231 C HIS A 15 5.812 -3.247 -14.301 1.00 0.00 C ATOM 232 O HIS A 15 5.233 -2.262 -14.760 1.00 0.00 O ATOM 233 CB HIS A 15 4.081 -4.120 -12.728 1.00 0.00 C ATOM 234 CG HIS A 15 2.789 -4.877 -12.740 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.102 -5.210 -11.592 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.055 -5.365 -13.770 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.004 -5.870 -11.913 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.952 -5.977 -13.228 1.00 0.00 N ATOM 0 H HIS A 15 5.958 -5.730 -12.499 1.00 0.00 H new ATOM 0 HA HIS A 15 4.427 -4.804 -14.746 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.595 -4.311 -11.786 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.867 -3.052 -12.763 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.293 -5.287 -14.820 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.273 -6.256 -11.218 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.212 -6.440 -13.756 1.00 0.00 H new ATOM 247 N GLY A 16 7.139 -3.312 -14.199 1.00 0.00 N ATOM 248 CA GLY A 16 7.967 -2.202 -14.629 1.00 0.00 C ATOM 249 C GLY A 16 8.006 -1.007 -13.691 1.00 0.00 C ATOM 250 O GLY A 16 8.271 0.105 -14.146 1.00 0.00 O ATOM 0 H GLY A 16 7.651 -4.112 -13.827 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.985 -2.565 -14.768 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.613 -1.865 -15.603 1.00 0.00 H new ATOM 254 N LEU A 17 7.756 -1.192 -12.394 1.00 0.00 N ATOM 255 CA LEU A 17 7.794 -0.051 -11.485 1.00 0.00 C ATOM 256 C LEU A 17 9.177 0.120 -10.885 1.00 0.00 C ATOM 257 O LEU A 17 9.434 1.060 -10.137 1.00 0.00 O ATOM 258 CB LEU A 17 6.752 -0.177 -10.371 1.00 0.00 C ATOM 259 CG LEU A 17 5.396 -0.765 -10.776 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.287 -0.151 -9.937 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.103 -0.545 -12.255 1.00 0.00 C ATOM 0 H LEU A 17 7.533 -2.089 -11.962 1.00 0.00 H new ATOM 0 HA LEU A 17 7.553 0.834 -12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.171 -0.797 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.583 0.813 -9.946 1.00 0.00 H new ATOM 0 HG LEU A 17 5.439 -1.840 -10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.328 -0.576 -10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.468 -0.364 -8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.269 0.928 -10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.133 -0.976 -12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.090 0.524 -12.468 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.877 -1.025 -12.854 1.00 0.00 H new ATOM 273 N ASP A 18 10.063 -0.789 -11.230 1.00 0.00 N ATOM 274 CA ASP A 18 11.432 -0.736 -10.734 1.00 0.00 C ATOM 275 C ASP A 18 12.215 0.371 -11.438 1.00 0.00 C ATOM 276 O ASP A 18 12.742 0.183 -12.536 1.00 0.00 O ATOM 277 CB ASP A 18 12.124 -2.091 -10.903 1.00 0.00 C ATOM 278 CG ASP A 18 13.631 -1.970 -11.024 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.273 -1.535 -10.045 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.170 -2.311 -12.098 1.00 0.00 O ATOM 0 H ASP A 18 9.866 -1.574 -11.850 1.00 0.00 H new ATOM 0 HA ASP A 18 11.403 -0.506 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.882 -2.726 -10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.731 -2.586 -11.791 1.00 0.00 H new ATOM 285 N ASN A 19 12.273 1.525 -10.784 1.00 0.00 N ATOM 286 CA ASN A 19 12.978 2.696 -11.302 1.00 0.00 C ATOM 287 C ASN A 19 12.341 3.199 -12.579 1.00 0.00 C ATOM 288 O ASN A 19 13.016 3.731 -13.461 1.00 0.00 O ATOM 289 CB ASN A 19 14.459 2.386 -11.528 1.00 0.00 C ATOM 290 CG ASN A 19 15.362 3.512 -11.063 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.031 3.307 -9.935 1.00 0.00 O flip ATOM 292 ND2 ASN A 19 15.457 4.554 -11.712 1.00 0.00 N flip ATOM 0 H ASN A 19 11.832 1.678 -9.877 1.00 0.00 H new ATOM 0 HA ASN A 19 12.902 3.485 -10.553 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.721 1.471 -10.997 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.631 2.200 -12.588 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.924 4.668 -12.574 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.069 5.303 -11.388 1.00 0.00 H new ATOM 299 N TYR A 20 11.030 3.059 -12.653 1.00 0.00 N ATOM 300 CA TYR A 20 10.293 3.534 -13.807 1.00 0.00 C ATOM 301 C TYR A 20 10.383 5.045 -13.813 1.00 0.00 C ATOM 302 O TYR A 20 10.865 5.616 -12.836 1.00 0.00 O ATOM 303 CB TYR A 20 8.831 3.083 -13.733 1.00 0.00 C ATOM 304 CG TYR A 20 8.024 3.410 -14.970 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.251 2.746 -16.169 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.034 4.383 -14.937 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.514 3.043 -17.300 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.292 4.685 -16.063 1.00 0.00 C ATOM 309 CZ TYR A 20 6.536 4.013 -17.242 1.00 0.00 C ATOM 310 OH TYR A 20 5.801 4.312 -18.365 1.00 0.00 O ATOM 0 H TYR A 20 10.457 2.622 -11.931 1.00 0.00 H new ATOM 0 HA TYR A 20 10.715 3.124 -14.724 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.801 2.006 -13.566 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.360 3.552 -12.869 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.016 1.985 -16.218 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.841 4.913 -14.016 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.703 2.518 -18.225 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.525 5.444 -16.020 1.00 0.00 H new ATOM 0 HH TYR A 20 4.906 4.611 -18.100 1.00 0.00 H new ATOM 320 N ARG A 21 9.961 5.687 -14.904 1.00 0.00 N ATOM 321 CA ARG A 21 10.021 7.143 -15.006 1.00 0.00 C ATOM 322 C ARG A 21 9.990 7.770 -13.616 1.00 0.00 C ATOM 323 O ARG A 21 10.685 8.748 -13.340 1.00 0.00 O ATOM 324 CB ARG A 21 8.855 7.668 -15.846 1.00 0.00 C ATOM 325 CG ARG A 21 9.136 9.007 -16.508 1.00 0.00 C ATOM 326 CD ARG A 21 7.966 9.461 -17.365 1.00 0.00 C ATOM 327 NE ARG A 21 8.352 9.656 -18.760 1.00 0.00 N ATOM 328 CZ ARG A 21 7.509 9.543 -19.782 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.236 9.238 -19.566 1.00 0.00 N ATOM 330 NH2 ARG A 21 7.937 9.738 -21.021 1.00 0.00 N ATOM 0 H ARG A 21 9.576 5.222 -15.726 1.00 0.00 H new ATOM 0 HA ARG A 21 10.955 7.418 -15.496 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.614 6.935 -16.616 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.975 7.764 -15.210 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.341 9.756 -15.743 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.031 8.928 -17.125 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.168 8.721 -17.310 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.565 10.393 -16.966 1.00 0.00 H new ATOM 0 HE ARG A 21 9.324 9.892 -18.962 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.902 9.090 -18.614 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.592 9.152 -20.352 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.914 9.975 -21.192 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.289 9.651 -21.804 1.00 0.00 H new ATOM 344 N GLY A 22 9.178 7.176 -12.745 1.00 0.00 N ATOM 345 CA GLY A 22 9.057 7.650 -11.386 1.00 0.00 C ATOM 346 C GLY A 22 10.205 7.191 -10.507 1.00 0.00 C ATOM 347 O GLY A 22 11.290 7.773 -10.545 1.00 0.00 O ATOM 0 H GLY A 22 8.598 6.366 -12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.017 8.739 -11.387 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.116 7.297 -10.964 1.00 0.00 H new ATOM 351 N TYR A 23 9.961 6.169 -9.685 1.00 0.00 N ATOM 352 CA TYR A 23 10.997 5.687 -8.775 1.00 0.00 C ATOM 353 C TYR A 23 11.222 4.182 -8.833 1.00 0.00 C ATOM 354 O TYR A 23 10.578 3.462 -9.595 1.00 0.00 O ATOM 355 CB TYR A 23 10.674 6.112 -7.344 1.00 0.00 C ATOM 356 CG TYR A 23 10.983 7.565 -7.063 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.237 8.579 -7.652 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.022 7.924 -6.213 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.517 9.908 -7.405 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.307 9.252 -5.960 1.00 0.00 C ATOM 361 CZ TYR A 23 11.553 10.239 -6.557 1.00 0.00 C ATOM 362 OH TYR A 23 11.836 11.562 -6.307 1.00 0.00 O ATOM 0 H TYR A 23 9.074 5.669 -9.631 1.00 0.00 H new ATOM 0 HA TYR A 23 11.929 6.145 -9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.617 5.929 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.239 5.488 -6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.424 8.323 -8.315 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.615 7.154 -5.743 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.929 10.683 -7.873 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.118 9.516 -5.297 1.00 0.00 H new ATOM 0 HH TYR A 23 12.593 11.623 -5.688 1.00 0.00 H new ATOM 372 N SER A 24 12.181 3.734 -8.018 1.00 0.00 N ATOM 373 CA SER A 24 12.567 2.332 -7.949 1.00 0.00 C ATOM 374 C SER A 24 11.647 1.520 -7.049 1.00 0.00 C ATOM 375 O SER A 24 10.870 2.065 -6.266 1.00 0.00 O ATOM 376 CB SER A 24 14.009 2.211 -7.452 1.00 0.00 C ATOM 377 OG SER A 24 14.105 2.543 -6.078 1.00 0.00 O ATOM 0 H SER A 24 12.709 4.338 -7.389 1.00 0.00 H new ATOM 0 HA SER A 24 12.483 1.926 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.367 1.193 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.654 2.869 -8.034 1.00 0.00 H new ATOM 0 HG SER A 24 13.448 3.238 -5.863 1.00 0.00 H new ATOM 383 N LEU A 25 11.758 0.203 -7.188 1.00 0.00 N ATOM 384 CA LEU A 25 10.968 -0.748 -6.420 1.00 0.00 C ATOM 385 C LEU A 25 10.829 -0.338 -4.955 1.00 0.00 C ATOM 386 O LEU A 25 9.717 -0.219 -4.445 1.00 0.00 O ATOM 387 CB LEU A 25 11.618 -2.127 -6.517 1.00 0.00 C ATOM 388 CG LEU A 25 10.922 -3.096 -7.463 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.922 -4.078 -8.051 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.811 -3.831 -6.734 1.00 0.00 C ATOM 0 H LEU A 25 12.405 -0.236 -7.843 1.00 0.00 H new ATOM 0 HA LEU A 25 9.963 -0.770 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.651 -2.004 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.647 -2.570 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 25 10.482 -2.529 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.407 -4.763 -8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.686 -3.532 -8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.391 -4.645 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.320 -4.521 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.232 -4.389 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.083 -3.111 -6.361 1.00 0.00 H new ATOM 402 N GLY A 26 11.961 -0.147 -4.281 1.00 0.00 N ATOM 403 CA GLY A 26 11.948 0.224 -2.873 1.00 0.00 C ATOM 404 C GLY A 26 10.908 1.277 -2.530 1.00 0.00 C ATOM 405 O GLY A 26 10.278 1.212 -1.475 1.00 0.00 O ATOM 0 H GLY A 26 12.892 -0.243 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.762 -0.667 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.934 0.596 -2.595 1.00 0.00 H new ATOM 409 N ASN A 27 10.730 2.251 -3.416 1.00 0.00 N ATOM 410 CA ASN A 27 9.763 3.321 -3.191 1.00 0.00 C ATOM 411 C ASN A 27 8.332 2.793 -3.267 1.00 0.00 C ATOM 412 O ASN A 27 7.452 3.245 -2.534 1.00 0.00 O ATOM 413 CB ASN A 27 9.965 4.438 -4.215 1.00 0.00 C ATOM 414 CG ASN A 27 11.427 4.795 -4.393 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.108 4.258 -5.268 1.00 0.00 O ATOM 416 ND2 ASN A 27 11.921 5.704 -3.560 1.00 0.00 N ATOM 0 H ASN A 27 11.241 2.322 -4.296 1.00 0.00 H new ATOM 0 HA ASN A 27 9.926 3.720 -2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.549 4.129 -5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.413 5.323 -3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.900 5.982 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.322 6.124 -2.850 1.00 0.00 H new ATOM 423 N TRP A 28 8.114 1.831 -4.154 1.00 0.00 N ATOM 424 CA TRP A 28 6.799 1.227 -4.335 1.00 0.00 C ATOM 425 C TRP A 28 6.432 0.326 -3.168 1.00 0.00 C ATOM 426 O TRP A 28 5.293 0.342 -2.701 1.00 0.00 O ATOM 427 CB TRP A 28 6.770 0.427 -5.627 1.00 0.00 C ATOM 428 CG TRP A 28 7.002 1.285 -6.819 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.181 1.470 -7.466 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.034 2.090 -7.494 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.015 2.354 -8.498 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.702 2.745 -8.543 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.668 2.318 -7.311 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.050 3.618 -9.410 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.015 3.180 -8.169 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.707 3.824 -9.210 1.00 0.00 C ATOM 0 H TRP A 28 8.837 1.449 -4.764 1.00 0.00 H new ATOM 0 HA TRP A 28 6.067 2.033 -4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.531 -0.353 -5.588 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.806 -0.073 -5.722 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.113 0.990 -7.205 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.750 2.670 -9.131 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.132 1.828 -6.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.580 4.114 -10.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.958 3.362 -8.039 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.171 4.494 -9.866 1.00 0.00 H new ATOM 447 N VAL A 29 7.388 -0.470 -2.704 1.00 0.00 N ATOM 448 CA VAL A 29 7.149 -1.385 -1.601 1.00 0.00 C ATOM 449 C VAL A 29 6.892 -0.640 -0.303 1.00 0.00 C ATOM 450 O VAL A 29 5.918 -0.915 0.393 1.00 0.00 O ATOM 451 CB VAL A 29 8.345 -2.336 -1.410 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.126 -3.257 -0.218 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.593 -3.136 -2.680 1.00 0.00 C ATOM 0 H VAL A 29 8.337 -0.498 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 29 6.261 -1.964 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 29 9.231 -1.736 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.986 -3.918 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.007 -2.660 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.228 -3.854 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.441 -3.804 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.707 -3.724 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.809 -2.455 -3.503 1.00 0.00 H new ATOM 463 N CYS A 30 7.772 0.291 0.028 1.00 0.00 N ATOM 464 CA CYS A 30 7.630 1.056 1.256 1.00 0.00 C ATOM 465 C CYS A 30 6.328 1.851 1.266 1.00 0.00 C ATOM 466 O CYS A 30 5.615 1.871 2.271 1.00 0.00 O ATOM 467 CB CYS A 30 8.820 1.994 1.438 1.00 0.00 C ATOM 468 SG CYS A 30 8.817 2.875 3.029 1.00 0.00 S ATOM 0 H CYS A 30 8.588 0.534 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 30 7.602 0.351 2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.742 1.418 1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.824 2.724 0.628 1.00 0.00 H new ATOM 473 N ALA A 31 6.016 2.508 0.149 1.00 0.00 N ATOM 474 CA ALA A 31 4.799 3.302 0.050 1.00 0.00 C ATOM 475 C ALA A 31 3.556 2.435 0.194 1.00 0.00 C ATOM 476 O ALA A 31 2.632 2.779 0.928 1.00 0.00 O ATOM 477 CB ALA A 31 4.765 4.050 -1.274 1.00 0.00 C ATOM 0 H ALA A 31 6.589 2.504 -0.695 1.00 0.00 H new ATOM 0 HA ALA A 31 4.803 4.022 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.850 4.640 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.628 4.712 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.792 3.335 -2.096 1.00 0.00 H new ATOM 483 N ALA A 32 3.538 1.311 -0.516 1.00 0.00 N ATOM 484 CA ALA A 32 2.403 0.397 -0.476 1.00 0.00 C ATOM 485 C ALA A 32 2.280 -0.295 0.879 1.00 0.00 C ATOM 486 O ALA A 32 1.191 -0.371 1.447 1.00 0.00 O ATOM 487 CB ALA A 32 2.522 -0.637 -1.585 1.00 0.00 C ATOM 0 H ALA A 32 4.298 1.012 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 32 1.499 0.987 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.669 -1.314 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.540 -0.133 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.443 -1.206 -1.455 1.00 0.00 H new ATOM 493 N LYS A 33 3.397 -0.811 1.383 1.00 0.00 N ATOM 494 CA LYS A 33 3.421 -1.513 2.662 1.00 0.00 C ATOM 495 C LYS A 33 2.704 -0.730 3.749 1.00 0.00 C ATOM 496 O LYS A 33 1.781 -1.233 4.381 1.00 0.00 O ATOM 497 CB LYS A 33 4.865 -1.775 3.092 1.00 0.00 C ATOM 498 CG LYS A 33 4.985 -2.518 4.413 1.00 0.00 C ATOM 499 CD LYS A 33 6.352 -3.166 4.566 1.00 0.00 C ATOM 500 CE LYS A 33 7.026 -2.742 5.860 1.00 0.00 C ATOM 501 NZ LYS A 33 7.512 -1.336 5.798 1.00 0.00 N ATOM 0 H LYS A 33 4.304 -0.755 0.921 1.00 0.00 H new ATOM 0 HA LYS A 33 2.898 -2.459 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.367 -2.351 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.389 -0.823 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.815 -1.826 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.210 -3.282 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.246 -4.251 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.982 -2.893 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.323 -2.847 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.864 -3.407 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.488 -1.290 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.488 -1.003 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.901 -0.731 6.383 1.00 0.00 H new ATOM 515 N PHE A 34 3.146 0.495 3.984 1.00 0.00 N ATOM 516 CA PHE A 34 2.543 1.320 5.020 1.00 0.00 C ATOM 517 C PHE A 34 1.198 1.879 4.596 1.00 0.00 C ATOM 518 O PHE A 34 0.388 2.270 5.437 1.00 0.00 O ATOM 519 CB PHE A 34 3.481 2.440 5.421 1.00 0.00 C ATOM 520 CG PHE A 34 4.389 2.089 6.564 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.942 2.178 7.873 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.689 1.670 6.330 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.775 1.855 8.927 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.527 1.345 7.381 1.00 0.00 C ATOM 525 CZ PHE A 34 6.069 1.439 8.681 1.00 0.00 C ATOM 0 H PHE A 34 3.913 0.937 3.477 1.00 0.00 H new ATOM 0 HA PHE A 34 2.368 0.678 5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.088 2.719 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.891 3.315 5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.931 2.503 8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.052 1.596 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.415 1.928 9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.538 1.018 7.186 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.722 1.188 9.504 1.00 0.00 H new ATOM 535 N GLU A 35 0.958 1.927 3.295 1.00 0.00 N ATOM 536 CA GLU A 35 -0.291 2.450 2.768 1.00 0.00 C ATOM 537 C GLU A 35 -1.483 1.591 3.169 1.00 0.00 C ATOM 538 O GLU A 35 -2.464 2.088 3.723 1.00 0.00 O ATOM 539 CB GLU A 35 -0.209 2.507 1.244 1.00 0.00 C ATOM 540 CG GLU A 35 -0.223 3.916 0.680 1.00 0.00 C ATOM 541 CD GLU A 35 0.320 3.973 -0.733 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.416 3.592 -1.666 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.483 4.393 -0.906 1.00 0.00 O ATOM 0 H GLU A 35 1.615 1.609 2.583 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.438 3.446 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.703 2.005 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.046 1.950 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.243 4.300 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.370 4.568 1.322 1.00 0.00 H new ATOM 550 N SER A 36 -1.412 0.311 2.832 1.00 0.00 N ATOM 551 CA SER A 36 -2.510 -0.615 3.099 1.00 0.00 C ATOM 552 C SER A 36 -2.036 -1.892 3.782 1.00 0.00 C ATOM 553 O SER A 36 -2.784 -2.865 3.865 1.00 0.00 O ATOM 554 CB SER A 36 -3.189 -0.976 1.774 1.00 0.00 C ATOM 555 OG SER A 36 -2.225 -1.274 0.781 1.00 0.00 O ATOM 0 H SER A 36 -0.606 -0.113 2.373 1.00 0.00 H new ATOM 0 HA SER A 36 -3.208 -0.120 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.846 -1.834 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.815 -0.147 1.443 1.00 0.00 H new ATOM 0 HG SER A 36 -2.020 -0.463 0.271 1.00 0.00 H new ATOM 561 N ASN A 37 -0.793 -1.901 4.243 1.00 0.00 N ATOM 562 CA ASN A 37 -0.240 -3.090 4.882 1.00 0.00 C ATOM 563 C ASN A 37 -0.261 -4.237 3.880 1.00 0.00 C ATOM 564 O ASN A 37 -0.340 -5.404 4.250 1.00 0.00 O ATOM 565 CB ASN A 37 -1.039 -3.459 6.134 1.00 0.00 C ATOM 566 CG ASN A 37 -0.195 -3.417 7.392 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.495 -2.679 8.332 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.871 -4.209 7.417 1.00 0.00 N ATOM 0 H ASN A 37 -0.153 -1.108 4.188 1.00 0.00 H new ATOM 0 HA ASN A 37 0.785 -2.889 5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.879 -2.773 6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.457 -4.458 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.478 -4.222 8.237 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.083 -4.805 6.616 1.00 0.00 H new ATOM 575 N PHE A 38 -0.180 -3.858 2.605 1.00 0.00 N ATOM 576 CA PHE A 38 -0.180 -4.773 1.475 1.00 0.00 C ATOM 577 C PHE A 38 -1.555 -5.375 1.248 1.00 0.00 C ATOM 578 O PHE A 38 -1.693 -6.400 0.589 1.00 0.00 O ATOM 579 CB PHE A 38 0.894 -5.852 1.634 1.00 0.00 C ATOM 580 CG PHE A 38 2.277 -5.322 1.386 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.548 -4.583 0.243 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.299 -5.544 2.292 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.811 -4.080 0.010 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.566 -5.044 2.063 1.00 0.00 C ATOM 585 CZ PHE A 38 4.822 -4.310 0.920 1.00 0.00 C ATOM 0 H PHE A 38 -0.111 -2.879 2.327 1.00 0.00 H new ATOM 0 HA PHE A 38 0.069 -4.197 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.842 -6.268 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.691 -6.668 0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.760 -4.400 -0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.104 -6.114 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.008 -3.507 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.356 -5.226 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.812 -3.917 0.740 1.00 0.00 H new ATOM 595 N ASN A 39 -2.580 -4.706 1.765 1.00 0.00 N ATOM 596 CA ASN A 39 -3.950 -5.162 1.586 1.00 0.00 C ATOM 597 C ASN A 39 -4.485 -4.661 0.254 1.00 0.00 C ATOM 598 O ASN A 39 -4.710 -3.464 0.070 1.00 0.00 O ATOM 599 CB ASN A 39 -4.835 -4.679 2.735 1.00 0.00 C ATOM 600 CG ASN A 39 -6.221 -5.296 2.700 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.499 -6.182 1.892 1.00 0.00 O ATOM 602 ND2 ASN A 39 -7.098 -4.827 3.580 1.00 0.00 N ATOM 0 H ASN A 39 -2.487 -3.849 2.310 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.962 -6.252 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.357 -4.921 3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.923 -3.593 2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.046 -5.202 3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.823 -4.092 4.231 1.00 0.00 H new ATOM 609 N THR A 40 -4.662 -5.583 -0.680 1.00 0.00 N ATOM 610 CA THR A 40 -5.141 -5.246 -2.009 1.00 0.00 C ATOM 611 C THR A 40 -6.613 -4.888 -1.955 1.00 0.00 C ATOM 612 O THR A 40 -7.176 -4.338 -2.902 1.00 0.00 O ATOM 613 CB THR A 40 -4.930 -6.421 -2.983 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.091 -7.261 -3.001 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.717 -7.245 -2.578 1.00 0.00 C ATOM 0 H THR A 40 -4.479 -6.577 -0.539 1.00 0.00 H new ATOM 0 HA THR A 40 -4.571 -4.389 -2.369 1.00 0.00 H new ATOM 0 HB THR A 40 -4.762 -6.011 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.948 -8.004 -3.624 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.587 -8.069 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.828 -6.614 -2.590 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.866 -7.643 -1.574 1.00 0.00 H new ATOM 623 N GLN A 41 -7.223 -5.225 -0.832 1.00 0.00 N ATOM 624 CA GLN A 41 -8.632 -4.973 -0.608 1.00 0.00 C ATOM 625 C GLN A 41 -8.849 -3.869 0.427 1.00 0.00 C ATOM 626 O GLN A 41 -9.983 -3.583 0.814 1.00 0.00 O ATOM 627 CB GLN A 41 -9.293 -6.266 -0.145 1.00 0.00 C ATOM 628 CG GLN A 41 -9.867 -7.101 -1.278 1.00 0.00 C ATOM 629 CD GLN A 41 -10.331 -8.469 -0.816 1.00 0.00 C ATOM 630 OE1 GLN A 41 -9.573 -9.502 -1.168 1.00 0.00 O flip ATOM 631 NE2 GLN A 41 -11.359 -8.597 -0.149 1.00 0.00 N flip ATOM 0 H GLN A 41 -6.753 -5.681 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.081 -4.634 -1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.561 -6.863 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.092 -6.024 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.706 -6.569 -1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.112 -7.221 -2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.911 -7.776 0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.658 -9.524 0.155 1.00 0.00 H new ATOM 640 N ALA A 42 -7.756 -3.265 0.886 1.00 0.00 N ATOM 641 CA ALA A 42 -7.825 -2.209 1.889 1.00 0.00 C ATOM 642 C ALA A 42 -8.476 -0.941 1.353 1.00 0.00 C ATOM 643 O ALA A 42 -8.148 -0.464 0.265 1.00 0.00 O ATOM 644 CB ALA A 42 -6.438 -1.887 2.416 1.00 0.00 C ATOM 0 H ALA A 42 -6.810 -3.490 0.578 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.449 -2.584 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.507 -1.097 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.005 -2.779 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.805 -1.554 1.594 1.00 0.00 H new ATOM 650 N THR A 43 -9.388 -0.395 2.148 1.00 0.00 N ATOM 651 CA THR A 43 -10.092 0.833 1.802 1.00 0.00 C ATOM 652 C THR A 43 -9.853 1.886 2.881 1.00 0.00 C ATOM 653 O THR A 43 -9.934 1.585 4.072 1.00 0.00 O ATOM 654 CB THR A 43 -11.607 0.592 1.663 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.251 0.765 2.930 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.889 -0.806 1.133 1.00 0.00 C ATOM 0 H THR A 43 -9.660 -0.790 3.048 1.00 0.00 H new ATOM 0 HA THR A 43 -9.706 1.180 0.844 1.00 0.00 H new ATOM 0 HB THR A 43 -12.002 1.319 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.214 0.611 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.966 -0.951 1.044 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.425 -0.924 0.154 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.479 -1.545 1.821 1.00 0.00 H new ATOM 664 N ASN A 44 -9.551 3.115 2.474 1.00 0.00 N ATOM 665 CA ASN A 44 -9.297 4.188 3.433 1.00 0.00 C ATOM 666 C ASN A 44 -10.167 5.406 3.141 1.00 0.00 C ATOM 667 O ASN A 44 -9.871 6.191 2.239 1.00 0.00 O ATOM 668 CB ASN A 44 -7.820 4.585 3.406 1.00 0.00 C ATOM 669 CG ASN A 44 -7.111 4.263 4.707 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.138 3.126 5.177 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.471 5.266 5.296 1.00 0.00 N ATOM 0 H ASN A 44 -9.476 3.393 1.495 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.551 3.816 4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.322 4.067 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.737 5.653 3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.976 5.109 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.475 6.193 4.871 1.00 0.00 H new ATOM 678 N ARG A 45 -11.241 5.556 3.910 1.00 0.00 N ATOM 679 CA ARG A 45 -12.158 6.678 3.736 1.00 0.00 C ATOM 680 C ARG A 45 -11.614 7.938 4.400 1.00 0.00 C ATOM 681 O ARG A 45 -11.228 7.920 5.570 1.00 0.00 O ATOM 682 CB ARG A 45 -13.532 6.335 4.315 1.00 0.00 C ATOM 683 CG ARG A 45 -14.612 6.162 3.260 1.00 0.00 C ATOM 684 CD ARG A 45 -15.664 5.156 3.701 1.00 0.00 C ATOM 685 NE ARG A 45 -16.990 5.491 3.189 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.867 6.242 3.847 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.560 6.736 5.039 1.00 0.00 N ATOM 688 NH2 ARG A 45 -19.055 6.499 3.314 1.00 0.00 N ATOM 0 H ARG A 45 -11.498 4.914 4.660 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.258 6.869 2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.453 5.416 4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.833 7.123 5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.086 7.123 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.160 5.831 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.382 4.162 3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.695 5.118 4.790 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.258 5.128 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.649 6.540 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.235 7.312 5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.296 6.120 2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.727 7.076 3.820 1.00 0.00 H new ATOM 702 N ASN A 46 -11.591 9.033 3.647 1.00 0.00 N ATOM 703 CA ASN A 46 -11.099 10.307 4.160 1.00 0.00 C ATOM 704 C ASN A 46 -12.244 11.290 4.365 1.00 0.00 C ATOM 705 O ASN A 46 -13.394 11.000 4.033 1.00 0.00 O ATOM 706 CB ASN A 46 -10.067 10.905 3.202 1.00 0.00 C ATOM 707 CG ASN A 46 -9.193 9.846 2.557 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.101 9.763 1.332 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.547 9.030 3.381 1.00 0.00 N ATOM 0 H ASN A 46 -11.908 9.064 2.678 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.625 10.121 5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.582 11.470 2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.438 11.610 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.945 8.298 3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.653 9.135 4.390 1.00 0.00 H new ATOM 716 N THR A 47 -11.921 12.454 4.917 1.00 0.00 N ATOM 717 CA THR A 47 -12.920 13.486 5.171 1.00 0.00 C ATOM 718 C THR A 47 -13.210 14.294 3.910 1.00 0.00 C ATOM 719 O THR A 47 -14.230 14.978 3.822 1.00 0.00 O ATOM 720 CB THR A 47 -12.467 14.444 6.288 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.179 14.988 5.975 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.406 13.724 7.626 1.00 0.00 C ATOM 0 H THR A 47 -10.974 12.707 5.198 1.00 0.00 H new ATOM 0 HA THR A 47 -13.829 12.974 5.488 1.00 0.00 H new ATOM 0 HB THR A 47 -13.195 15.252 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.899 15.598 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.084 14.421 8.400 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.393 13.336 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.697 12.898 7.563 1.00 0.00 H new ATOM 730 N ASP A 48 -12.307 14.211 2.937 1.00 0.00 N ATOM 731 CA ASP A 48 -12.468 14.936 1.681 1.00 0.00 C ATOM 732 C ASP A 48 -13.578 14.321 0.835 1.00 0.00 C ATOM 733 O ASP A 48 -14.012 14.907 -0.157 1.00 0.00 O ATOM 734 CB ASP A 48 -11.154 14.940 0.900 1.00 0.00 C ATOM 735 CG ASP A 48 -10.531 13.560 0.801 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.280 12.563 0.877 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.295 13.476 0.649 1.00 0.00 O ATOM 0 H ASP A 48 -11.457 13.650 2.994 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.745 15.964 1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.333 15.327 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.451 15.619 1.383 1.00 0.00 H new ATOM 742 N GLY A 49 -14.033 13.138 1.235 1.00 0.00 N ATOM 743 CA GLY A 49 -15.091 12.463 0.504 1.00 0.00 C ATOM 744 C GLY A 49 -14.582 11.289 -0.310 1.00 0.00 C ATOM 745 O GLY A 49 -15.318 10.335 -0.561 1.00 0.00 O ATOM 0 H GLY A 49 -13.688 12.634 2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.846 12.112 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.580 13.176 -0.160 1.00 0.00 H new ATOM 749 N SER A 50 -13.320 11.358 -0.723 1.00 0.00 N ATOM 750 CA SER A 50 -12.718 10.289 -1.512 1.00 0.00 C ATOM 751 C SER A 50 -12.258 9.142 -0.619 1.00 0.00 C ATOM 752 O SER A 50 -12.312 9.234 0.607 1.00 0.00 O ATOM 753 CB SER A 50 -11.542 10.820 -2.332 1.00 0.00 C ATOM 754 OG SER A 50 -10.914 11.911 -1.681 1.00 0.00 O ATOM 0 H SER A 50 -12.696 12.140 -0.525 1.00 0.00 H new ATOM 0 HA SER A 50 -13.479 9.910 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.817 10.022 -2.491 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.893 11.133 -3.315 1.00 0.00 H new ATOM 0 HG SER A 50 -10.869 11.735 -0.718 1.00 0.00 H new ATOM 760 N THR A 51 -11.814 8.060 -1.246 1.00 0.00 N ATOM 761 CA THR A 51 -11.352 6.886 -0.516 1.00 0.00 C ATOM 762 C THR A 51 -10.134 6.258 -1.186 1.00 0.00 C ATOM 763 O THR A 51 -9.805 6.580 -2.326 1.00 0.00 O ATOM 764 CB THR A 51 -12.468 5.830 -0.413 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.741 6.473 -0.276 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.237 4.903 0.770 1.00 0.00 C ATOM 0 H THR A 51 -11.764 7.971 -2.261 1.00 0.00 H new ATOM 0 HA THR A 51 -11.074 7.220 0.483 1.00 0.00 H new ATOM 0 HB THR A 51 -12.455 5.236 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.455 5.820 -0.429 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.040 4.168 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.283 4.391 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.223 5.485 1.691 1.00 0.00 H new ATOM 774 N ASP A 52 -9.472 5.355 -0.468 1.00 0.00 N ATOM 775 CA ASP A 52 -8.293 4.668 -0.985 1.00 0.00 C ATOM 776 C ASP A 52 -8.566 3.178 -1.107 1.00 0.00 C ATOM 777 O ASP A 52 -8.309 2.409 -0.181 1.00 0.00 O ATOM 778 CB ASP A 52 -7.095 4.910 -0.067 1.00 0.00 C ATOM 779 CG ASP A 52 -6.667 6.365 -0.048 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.460 6.937 -1.138 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.537 6.931 1.058 1.00 0.00 O ATOM 0 H ASP A 52 -9.734 5.081 0.479 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.063 5.065 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.347 4.595 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.259 4.292 -0.395 1.00 0.00 H new ATOM 786 N TYR A 53 -9.100 2.779 -2.254 1.00 0.00 N ATOM 787 CA TYR A 53 -9.422 1.383 -2.491 1.00 0.00 C ATOM 788 C TYR A 53 -8.309 0.666 -3.247 1.00 0.00 C ATOM 789 O TYR A 53 -8.406 0.466 -4.455 1.00 0.00 O ATOM 790 CB TYR A 53 -10.723 1.251 -3.286 1.00 0.00 C ATOM 791 CG TYR A 53 -11.926 1.905 -2.646 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.469 1.406 -1.471 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.530 3.012 -3.229 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.578 1.993 -0.890 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.641 3.602 -2.657 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.160 3.089 -1.489 1.00 0.00 C ATOM 797 OH TYR A 53 -15.266 3.675 -0.916 1.00 0.00 O ATOM 0 H TYR A 53 -9.318 3.402 -3.031 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.539 0.918 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.574 1.685 -4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.937 0.192 -3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.018 0.544 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.125 3.418 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.985 1.595 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.100 4.461 -3.124 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.553 4.436 -1.462 1.00 0.00 H new ATOM 807 N GLY A 54 -7.239 0.299 -2.560 1.00 0.00 N ATOM 808 CA GLY A 54 -6.157 -0.387 -3.240 1.00 0.00 C ATOM 809 C GLY A 54 -4.909 -0.518 -2.399 1.00 0.00 C ATOM 810 O GLY A 54 -4.735 0.204 -1.418 1.00 0.00 O ATOM 0 H GLY A 54 -7.099 0.459 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.494 -1.381 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.914 0.151 -4.156 1.00 0.00 H new ATOM 814 N ILE A 55 -4.016 -1.418 -2.808 1.00 0.00 N ATOM 815 CA ILE A 55 -2.758 -1.600 -2.103 1.00 0.00 C ATOM 816 C ILE A 55 -1.932 -0.338 -2.283 1.00 0.00 C ATOM 817 O ILE A 55 -1.075 -0.005 -1.465 1.00 0.00 O ATOM 818 CB ILE A 55 -1.963 -2.813 -2.636 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.763 -3.098 -1.733 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.508 -2.558 -4.065 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.126 -4.447 -1.984 1.00 0.00 C ATOM 0 H ILE A 55 -4.143 -2.026 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.972 -1.790 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.613 -3.688 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.015 -2.319 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.081 -3.043 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.949 -3.420 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.379 -2.396 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.870 -1.675 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.719 -4.582 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.860 -5.234 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.223 -4.498 -3.015 1.00 0.00 H new ATOM 833 N LEU A 56 -2.243 0.376 -3.364 1.00 0.00 N ATOM 834 CA LEU A 56 -1.589 1.631 -3.684 1.00 0.00 C ATOM 835 C LEU A 56 -2.585 2.773 -3.500 1.00 0.00 C ATOM 836 O LEU A 56 -2.305 3.918 -3.855 1.00 0.00 O ATOM 837 CB LEU A 56 -1.051 1.623 -5.124 1.00 0.00 C ATOM 838 CG LEU A 56 0.473 1.768 -5.267 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.012 2.820 -4.310 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.156 0.430 -5.027 1.00 0.00 C ATOM 0 H LEU A 56 -2.955 0.096 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.741 1.768 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.355 0.691 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.528 2.434 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 56 0.690 2.094 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.092 2.903 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.548 3.782 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.783 2.530 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.235 0.548 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.925 0.079 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.798 -0.297 -5.756 1.00 0.00 H new ATOM 852 N GLN A 57 -3.751 2.440 -2.930 1.00 0.00 N ATOM 853 CA GLN A 57 -4.814 3.413 -2.670 1.00 0.00 C ATOM 854 C GLN A 57 -5.478 3.893 -3.958 1.00 0.00 C ATOM 855 O GLN A 57 -5.231 5.015 -4.400 1.00 0.00 O ATOM 856 CB GLN A 57 -4.263 4.612 -1.889 1.00 0.00 C ATOM 857 CG GLN A 57 -3.351 4.225 -0.736 1.00 0.00 C ATOM 858 CD GLN A 57 -4.113 3.689 0.460 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.377 4.412 1.420 1.00 0.00 O ATOM 860 NE2 GLN A 57 -4.470 2.410 0.408 1.00 0.00 N ATOM 0 H GLN A 57 -3.981 1.490 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.573 2.909 -2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.714 5.258 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.098 5.195 -1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.642 3.471 -1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.769 5.095 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.230 1.846 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.984 1.992 1.184 1.00 0.00 H new ATOM 869 N ILE A 58 -6.317 3.050 -4.572 1.00 0.00 N ATOM 870 CA ILE A 58 -6.979 3.435 -5.803 1.00 0.00 C ATOM 871 C ILE A 58 -8.240 4.219 -5.503 1.00 0.00 C ATOM 872 O ILE A 58 -9.303 3.643 -5.265 1.00 0.00 O ATOM 873 CB ILE A 58 -7.324 2.211 -6.671 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.150 1.227 -6.699 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.692 2.649 -8.081 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.819 1.870 -7.032 1.00 0.00 C ATOM 0 H ILE A 58 -6.545 2.114 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.285 4.063 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.184 1.705 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.074 0.739 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.359 0.447 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.933 1.773 -8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.556 3.312 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.850 3.177 -8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.038 1.110 -7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.875 2.333 -8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.585 2.630 -6.286 1.00 0.00 H new ATOM 888 N ASN A 59 -8.117 5.539 -5.520 1.00 0.00 N ATOM 889 CA ASN A 59 -9.250 6.405 -5.259 1.00 0.00 C ATOM 890 C ASN A 59 -10.307 6.202 -6.329 1.00 0.00 C ATOM 891 O ASN A 59 -10.214 6.765 -7.420 1.00 0.00 O ATOM 892 CB ASN A 59 -8.800 7.865 -5.226 1.00 0.00 C ATOM 893 CG ASN A 59 -9.912 8.814 -4.822 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.049 8.398 -4.596 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.588 10.098 -4.725 1.00 0.00 N ATOM 0 H ASN A 59 -7.244 6.030 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.677 6.153 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.969 7.969 -4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.427 8.148 -6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.294 10.783 -4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.634 10.399 -4.921 1.00 0.00 H new ATOM 902 N SER A 60 -11.311 5.395 -6.016 1.00 0.00 N ATOM 903 CA SER A 60 -12.387 5.117 -6.962 1.00 0.00 C ATOM 904 C SER A 60 -13.183 6.378 -7.292 1.00 0.00 C ATOM 905 O SER A 60 -13.973 6.387 -8.234 1.00 0.00 O ATOM 906 CB SER A 60 -13.323 4.046 -6.398 1.00 0.00 C ATOM 907 OG SER A 60 -14.338 4.625 -5.596 1.00 0.00 O ATOM 0 H SER A 60 -11.405 4.922 -5.117 1.00 0.00 H new ATOM 0 HA SER A 60 -11.932 4.753 -7.883 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.777 3.488 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.750 3.333 -5.805 1.00 0.00 H new ATOM 0 HG SER A 60 -14.923 3.920 -5.249 1.00 0.00 H new ATOM 913 N ARG A 61 -12.977 7.439 -6.519 1.00 0.00 N ATOM 914 CA ARG A 61 -13.685 8.693 -6.751 1.00 0.00 C ATOM 915 C ARG A 61 -12.758 9.718 -7.396 1.00 0.00 C ATOM 916 O ARG A 61 -12.950 10.925 -7.253 1.00 0.00 O ATOM 917 CB ARG A 61 -14.240 9.244 -5.437 1.00 0.00 C ATOM 918 CG ARG A 61 -15.455 10.138 -5.618 1.00 0.00 C ATOM 919 CD ARG A 61 -15.503 11.234 -4.565 1.00 0.00 C ATOM 920 NE ARG A 61 -16.442 12.293 -4.919 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.196 13.588 -4.740 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.045 13.982 -4.214 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.104 14.491 -5.090 1.00 0.00 N ATOM 0 H ARG A 61 -12.330 7.456 -5.731 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.516 8.496 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.506 8.411 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.457 9.807 -4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.433 10.587 -6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.362 9.537 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.789 10.802 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.507 11.660 -4.439 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.338 12.025 -5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.344 13.291 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.860 14.976 -4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.991 14.192 -5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.915 15.484 -4.953 1.00 0.00 H new ATOM 937 N TRP A 62 -11.747 9.224 -8.104 1.00 0.00 N ATOM 938 CA TRP A 62 -10.788 10.104 -8.766 1.00 0.00 C ATOM 939 C TRP A 62 -9.997 9.408 -9.876 1.00 0.00 C ATOM 940 O TRP A 62 -9.311 10.077 -10.649 1.00 0.00 O ATOM 941 CB TRP A 62 -9.819 10.687 -7.737 1.00 0.00 C ATOM 942 CG TRP A 62 -9.350 12.069 -8.079 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.209 12.405 -8.747 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.012 13.300 -7.769 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.119 13.770 -8.872 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.215 14.342 -8.279 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.202 13.624 -7.110 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.569 15.683 -8.150 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.552 14.955 -6.983 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.739 15.969 -7.501 1.00 0.00 C ATOM 0 H TRP A 62 -11.571 8.228 -8.234 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.368 10.898 -9.237 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.305 10.707 -6.762 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.954 10.029 -7.649 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.482 11.700 -9.123 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.361 14.275 -9.331 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.836 12.848 -6.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.943 16.468 -8.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.469 15.217 -6.475 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.041 16.999 -7.386 1.00 0.00 H new ATOM 961 N TRP A 63 -10.062 8.079 -9.957 1.00 0.00 N ATOM 962 CA TRP A 63 -9.309 7.362 -10.983 1.00 0.00 C ATOM 963 C TRP A 63 -10.121 6.261 -11.657 1.00 0.00 C ATOM 964 O TRP A 63 -9.718 5.754 -12.703 1.00 0.00 O ATOM 965 CB TRP A 63 -8.047 6.739 -10.380 1.00 0.00 C ATOM 966 CG TRP A 63 -7.064 7.733 -9.841 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.534 7.771 -8.582 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.488 8.829 -10.551 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.656 8.823 -8.474 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.612 9.490 -9.670 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.629 9.312 -11.850 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.879 10.611 -10.053 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.909 10.422 -12.229 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.040 11.064 -11.334 1.00 0.00 C ATOM 0 H TRP A 63 -10.617 7.488 -9.338 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.050 8.101 -11.741 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.339 6.062 -9.577 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.554 6.135 -11.142 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.770 7.077 -7.789 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.124 9.067 -7.639 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.292 8.823 -12.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.209 11.104 -9.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.015 10.806 -13.233 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.488 11.932 -11.662 1.00 0.00 H new ATOM 985 N CYS A 64 -11.245 5.864 -11.074 1.00 0.00 N ATOM 986 CA CYS A 64 -12.035 4.797 -11.677 1.00 0.00 C ATOM 987 C CYS A 64 -13.527 5.021 -11.531 1.00 0.00 C ATOM 988 O CYS A 64 -13.985 5.678 -10.599 1.00 0.00 O ATOM 989 CB CYS A 64 -11.676 3.447 -11.047 1.00 0.00 C ATOM 990 SG CYS A 64 -12.713 2.986 -9.617 1.00 0.00 S ATOM 0 H CYS A 64 -11.623 6.251 -10.209 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.795 4.799 -12.740 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.760 2.671 -11.807 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.633 3.472 -10.731 1.00 0.00 H new ATOM 995 N ASN A 65 -14.283 4.452 -12.463 1.00 0.00 N ATOM 996 CA ASN A 65 -15.735 4.567 -12.442 1.00 0.00 C ATOM 997 C ASN A 65 -16.345 3.366 -11.727 1.00 0.00 C ATOM 998 O ASN A 65 -16.411 2.268 -12.282 1.00 0.00 O ATOM 999 CB ASN A 65 -16.284 4.664 -13.867 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.654 5.310 -13.915 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.776 6.535 -13.949 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.697 4.487 -13.919 1.00 0.00 N ATOM 0 H ASN A 65 -13.914 3.907 -13.242 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.004 5.475 -11.903 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.592 5.240 -14.482 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.341 3.666 -14.301 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.644 4.864 -13.951 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.551 3.478 -13.890 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.779 3.577 -10.489 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.370 2.507 -9.695 1.00 0.00 C ATOM 1011 C ASP A 66 -18.894 2.598 -9.684 1.00 0.00 C ATOM 1012 O ASP A 66 -19.578 1.638 -9.332 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.829 2.548 -8.266 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.369 3.722 -7.474 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.499 4.821 -8.053 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.661 3.544 -6.272 1.00 0.00 O ATOM 0 H ASP A 66 -16.733 4.479 -10.014 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.094 1.558 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.088 1.620 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.741 2.603 -8.294 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.420 3.753 -10.082 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.861 3.939 -10.119 1.00 0.00 C ATOM 1023 C GLY A 67 -21.484 4.058 -8.738 1.00 0.00 C ATOM 1024 O GLY A 67 -22.622 4.508 -8.607 1.00 0.00 O ATOM 0 H GLY A 67 -18.875 4.563 -10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.091 4.837 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.316 3.100 -10.645 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.746 3.653 -7.709 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.245 3.717 -6.340 1.00 0.00 C ATOM 1030 C ARG A 68 -20.970 5.084 -5.720 1.00 0.00 C ATOM 1031 O ARG A 68 -21.437 5.382 -4.621 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.604 2.619 -5.490 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.247 1.254 -5.674 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.217 0.197 -6.034 1.00 0.00 C ATOM 1035 NE ARG A 68 -19.322 -0.097 -4.918 1.00 0.00 N ATOM 1036 CZ ARG A 68 -18.726 -1.273 -4.741 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -18.928 -2.260 -5.602 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -17.926 -1.461 -3.699 1.00 0.00 N ATOM 0 H ARG A 68 -19.802 3.278 -7.797 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.324 3.563 -6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.545 2.549 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.666 2.902 -4.439 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.760 0.966 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.002 1.309 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.727 -0.716 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.632 0.537 -6.888 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.144 0.641 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.542 -2.119 -6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.469 -3.160 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.768 -0.704 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.469 -2.363 -3.563 1.00 0.00 H new ATOM 1052 N THR A 69 -20.207 5.909 -6.430 1.00 0.00 N ATOM 1053 CA THR A 69 -19.871 7.242 -5.947 1.00 0.00 C ATOM 1054 C THR A 69 -20.101 8.294 -7.030 1.00 0.00 C ATOM 1055 O THR A 69 -19.388 8.329 -8.032 1.00 0.00 O ATOM 1056 CB THR A 69 -18.406 7.317 -5.477 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.983 6.040 -4.985 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.241 8.364 -4.387 1.00 0.00 C ATOM 0 H THR A 69 -19.810 5.677 -7.341 1.00 0.00 H new ATOM 0 HA THR A 69 -20.527 7.446 -5.101 1.00 0.00 H new ATOM 0 HB THR A 69 -17.789 7.601 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.959 5.396 -5.724 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.198 8.399 -4.071 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.536 9.340 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.870 8.105 -3.535 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.104 9.172 -6.841 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.421 10.227 -7.809 1.00 0.00 C ATOM 1068 C PRO A 70 -20.335 11.294 -7.879 1.00 0.00 C ATOM 1069 O PRO A 70 -20.062 11.981 -6.894 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.725 10.824 -7.274 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.710 10.524 -5.816 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.004 9.204 -5.673 1.00 0.00 C ATOM 0 HA PRO A 70 -21.502 9.837 -8.824 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.773 11.898 -7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.593 10.379 -7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.191 11.306 -5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.723 10.470 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.450 9.144 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.705 8.370 -5.683 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.720 11.431 -9.050 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.671 12.417 -9.227 1.00 0.00 C ATOM 1082 C GLY A 71 -17.382 11.809 -9.745 1.00 0.00 C ATOM 1083 O GLY A 71 -16.356 12.485 -9.820 1.00 0.00 O ATOM 0 H GLY A 71 -19.930 10.876 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.012 13.184 -9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.478 12.912 -8.275 1.00 0.00 H new ATOM 1087 N SER A 72 -17.436 10.530 -10.103 1.00 0.00 N ATOM 1088 CA SER A 72 -16.265 9.828 -10.617 1.00 0.00 C ATOM 1089 C SER A 72 -15.743 10.496 -11.886 1.00 0.00 C ATOM 1090 O SER A 72 -16.424 10.518 -12.911 1.00 0.00 O ATOM 1091 CB SER A 72 -16.604 8.363 -10.901 1.00 0.00 C ATOM 1092 OG SER A 72 -17.976 8.211 -11.224 1.00 0.00 O ATOM 0 H SER A 72 -18.279 9.958 -10.047 1.00 0.00 H new ATOM 0 HA SER A 72 -15.485 9.872 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.990 7.997 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.363 7.755 -10.029 1.00 0.00 H new ATOM 0 HG SER A 72 -18.062 7.691 -12.050 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.532 11.037 -11.807 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.917 11.708 -12.947 1.00 0.00 C ATOM 1100 C ARG A 73 -13.520 10.701 -14.022 1.00 0.00 C ATOM 1101 O ARG A 73 -13.695 10.954 -15.215 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.690 12.502 -12.498 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.018 13.902 -12.005 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.953 14.903 -12.422 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.988 16.113 -11.605 1.00 0.00 N ATOM 1106 CZ ARG A 73 -10.901 16.780 -11.227 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -9.699 16.356 -11.591 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.018 17.873 -10.485 1.00 0.00 N ATOM 0 H ARG A 73 -13.956 11.024 -10.965 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.650 12.395 -13.370 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.185 11.955 -11.702 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.990 12.574 -13.330 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.985 14.211 -12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.107 13.895 -10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.969 14.440 -12.342 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.096 15.169 -13.469 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.897 16.467 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.606 15.516 -12.162 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.867 16.870 -11.300 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.942 18.202 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.184 18.384 -10.195 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.976 9.565 -13.589 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.541 8.515 -14.509 1.00 0.00 C ATOM 1124 C ASN A 74 -11.342 8.998 -15.316 1.00 0.00 C ATOM 1125 O ASN A 74 -11.225 8.727 -16.512 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.684 8.109 -15.445 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.595 6.658 -15.876 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.927 6.314 -17.010 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.147 5.796 -14.970 1.00 0.00 N ATOM 0 H ASN A 74 -12.826 9.348 -12.604 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.249 7.640 -13.928 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.637 8.278 -14.944 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.671 8.748 -16.328 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.068 4.806 -15.203 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.882 6.124 -14.041 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.447 9.702 -14.634 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.235 10.225 -15.235 1.00 0.00 C ATOM 1138 C LEU A 75 -8.369 9.110 -15.753 1.00 0.00 C ATOM 1139 O LEU A 75 -7.847 9.137 -16.867 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.459 10.956 -14.157 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.719 12.458 -14.062 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.944 13.064 -12.902 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.358 13.150 -15.369 1.00 0.00 C ATOM 0 H LEU A 75 -10.546 9.925 -13.644 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.502 10.882 -16.063 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.694 10.503 -13.194 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.394 10.800 -14.331 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.783 12.609 -13.879 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.143 14.135 -12.851 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.256 12.593 -11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.877 12.900 -13.052 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.551 14.219 -15.280 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.302 12.988 -15.587 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.962 12.739 -16.178 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.234 8.145 -14.889 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.446 6.972 -15.132 1.00 0.00 C ATOM 1157 C CYS A 76 -8.228 5.983 -15.986 1.00 0.00 C ATOM 1158 O CYS A 76 -7.655 5.227 -16.771 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.110 6.391 -13.782 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.451 5.663 -13.633 1.00 0.00 S ATOM 0 H CYS A 76 -8.681 8.153 -13.972 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.533 7.207 -15.680 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.212 7.176 -13.033 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.847 5.624 -13.542 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.549 6.005 -15.819 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.436 5.122 -16.564 1.00 0.00 C ATOM 1167 C ASN A 77 -10.004 3.678 -16.381 1.00 0.00 C ATOM 1168 O ASN A 77 -9.774 2.954 -17.349 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.432 5.490 -18.050 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.773 5.242 -18.713 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.376 6.151 -19.281 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.248 4.002 -18.642 1.00 0.00 N ATOM 0 H ASN A 77 -10.028 6.629 -15.170 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.450 5.240 -16.181 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.165 6.541 -18.160 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.664 4.910 -18.563 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.146 3.775 -19.069 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.714 3.278 -18.161 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.882 3.272 -15.125 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.464 1.930 -14.799 1.00 0.00 C ATOM 1181 C ILE A 78 -10.570 1.176 -14.072 1.00 0.00 C ATOM 1182 O ILE A 78 -11.332 1.769 -13.316 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.194 1.957 -13.923 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.393 1.169 -12.621 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.815 3.391 -13.621 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.759 2.027 -11.427 1.00 0.00 C ATOM 0 H ILE A 78 -10.070 3.863 -14.315 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.244 1.414 -15.733 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.386 1.478 -14.475 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.176 0.426 -12.775 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.477 0.624 -12.395 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.918 3.408 -13.002 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.622 3.921 -14.554 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.632 3.879 -13.089 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.882 1.394 -10.548 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.967 2.753 -11.244 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.692 2.552 -11.629 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.658 -0.146 -14.258 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.655 -0.953 -13.570 1.00 0.00 C ATOM 1200 C PRO A 79 -11.189 -1.251 -12.150 1.00 0.00 C ATOM 1201 O PRO A 79 -10.223 -1.988 -11.951 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.712 -2.224 -14.412 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.338 -2.361 -14.981 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.780 -0.964 -15.115 1.00 0.00 C ATOM 0 HA PRO A 79 -12.627 -0.469 -13.475 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.978 -3.090 -13.805 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.461 -2.144 -15.200 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.709 -2.968 -14.330 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.369 -2.860 -15.950 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.742 -0.915 -14.785 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.802 -0.623 -16.150 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.850 -0.655 -11.165 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.464 -0.843 -9.774 1.00 0.00 C ATOM 1214 C CYS A 80 -11.555 -2.308 -9.346 1.00 0.00 C ATOM 1215 O CYS A 80 -10.583 -2.870 -8.848 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.306 0.050 -8.860 1.00 0.00 C ATOM 1217 SG CYS A 80 -11.561 1.690 -8.554 1.00 0.00 S ATOM 0 H CYS A 80 -12.652 -0.040 -11.304 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.418 -0.550 -9.680 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.292 0.185 -9.305 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.454 -0.457 -7.906 1.00 0.00 H new ATOM 1222 N SER A 81 -12.720 -2.921 -9.522 1.00 0.00 N ATOM 1223 CA SER A 81 -12.913 -4.318 -9.132 1.00 0.00 C ATOM 1224 C SER A 81 -11.877 -5.245 -9.775 1.00 0.00 C ATOM 1225 O SER A 81 -11.534 -6.284 -9.211 1.00 0.00 O ATOM 1226 CB SER A 81 -14.323 -4.778 -9.510 1.00 0.00 C ATOM 1227 OG SER A 81 -14.433 -4.992 -10.906 1.00 0.00 O ATOM 0 H SER A 81 -13.543 -2.478 -9.930 1.00 0.00 H new ATOM 0 HA SER A 81 -12.782 -4.375 -8.051 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.563 -5.698 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.050 -4.029 -9.195 1.00 0.00 H new ATOM 0 HG SER A 81 -15.343 -5.287 -11.121 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.388 -4.874 -10.956 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.401 -5.690 -11.667 1.00 0.00 C ATOM 1235 C ALA A 82 -9.020 -5.594 -11.020 1.00 0.00 C ATOM 1236 O ALA A 82 -8.121 -6.376 -11.333 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.328 -5.272 -13.127 1.00 0.00 C ATOM 0 H ALA A 82 -11.656 -4.018 -11.441 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.724 -6.729 -11.607 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.591 -5.886 -13.645 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.304 -5.406 -13.593 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.037 -4.224 -13.191 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.863 -4.634 -10.119 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.593 -4.434 -9.427 1.00 0.00 C ATOM 1245 C LEU A 83 -7.633 -5.024 -8.023 1.00 0.00 C ATOM 1246 O LEU A 83 -6.628 -5.028 -7.313 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.241 -2.943 -9.362 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.825 -2.177 -8.174 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.814 -2.090 -7.041 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.262 -0.785 -8.603 1.00 0.00 C ATOM 0 H LEU A 83 -9.598 -3.980 -9.849 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.821 -4.953 -9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.156 -2.845 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.582 -2.467 -10.281 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.699 -2.720 -7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.250 -1.541 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.546 -3.095 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.921 -1.571 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.675 -0.253 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.403 -0.237 -8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.021 -0.866 -9.381 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.803 -5.499 -7.616 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.970 -6.062 -6.284 1.00 0.00 C ATOM 1264 C LEU A 84 -8.995 -7.589 -6.301 1.00 0.00 C ATOM 1265 O LEU A 84 -8.901 -8.222 -5.249 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.253 -5.514 -5.661 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.512 -4.033 -5.950 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.879 -3.615 -5.439 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.421 -3.172 -5.331 1.00 0.00 C ATOM 0 H LEU A 84 -9.648 -5.505 -8.188 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.110 -5.767 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.098 -6.097 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.210 -5.659 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.496 -3.887 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.041 -2.559 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.649 -4.209 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.930 -3.777 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.620 -2.122 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.405 -3.325 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.455 -3.451 -5.751 1.00 0.00 H new ATOM 1281 N SER A 85 -9.140 -8.182 -7.486 1.00 0.00 N ATOM 1282 CA SER A 85 -9.191 -9.640 -7.603 1.00 0.00 C ATOM 1283 C SER A 85 -7.811 -10.271 -7.447 1.00 0.00 C ATOM 1284 O SER A 85 -7.462 -11.224 -8.143 1.00 0.00 O ATOM 1285 CB SER A 85 -9.816 -10.052 -8.937 1.00 0.00 C ATOM 1286 OG SER A 85 -9.581 -9.074 -9.935 1.00 0.00 O ATOM 0 H SER A 85 -9.224 -7.681 -8.371 1.00 0.00 H new ATOM 0 HA SER A 85 -9.817 -10.009 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.402 -11.008 -9.256 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.889 -10.196 -8.810 1.00 0.00 H new ATOM 0 HG SER A 85 -9.989 -9.362 -10.778 1.00 0.00 H new ATOM 1292 N SER A 86 -7.044 -9.713 -6.526 1.00 0.00 N ATOM 1293 CA SER A 86 -5.691 -10.174 -6.230 1.00 0.00 C ATOM 1294 C SER A 86 -4.784 -9.809 -7.382 1.00 0.00 C ATOM 1295 O SER A 86 -3.743 -10.427 -7.608 1.00 0.00 O ATOM 1296 CB SER A 86 -5.664 -11.685 -5.985 1.00 0.00 C ATOM 1297 OG SER A 86 -4.456 -12.080 -5.359 1.00 0.00 O ATOM 0 H SER A 86 -7.342 -8.921 -5.956 1.00 0.00 H new ATOM 0 HA SER A 86 -5.341 -9.688 -5.319 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.511 -11.970 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.775 -12.212 -6.933 1.00 0.00 H new ATOM 0 HG SER A 86 -3.694 -11.737 -5.872 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.228 -8.814 -8.126 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.528 -8.341 -9.295 1.00 0.00 C ATOM 1305 C ASP A 87 -4.173 -6.866 -9.159 1.00 0.00 C ATOM 1306 O ASP A 87 -5.057 -6.012 -9.142 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.447 -8.549 -10.486 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.734 -8.401 -11.816 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.745 -9.129 -12.044 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.166 -7.557 -12.630 1.00 0.00 O ATOM 0 H ASP A 87 -6.093 -8.310 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.594 -8.889 -9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.891 -9.543 -10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.265 -7.831 -10.437 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.883 -6.561 -9.069 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.447 -5.177 -8.942 1.00 0.00 C ATOM 1317 C ILE A 88 -2.282 -4.523 -10.303 1.00 0.00 C ATOM 1318 O ILE A 88 -2.027 -3.327 -10.386 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.121 -5.049 -8.167 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.260 -6.301 -8.352 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.391 -4.790 -6.695 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.220 -6.050 -8.161 1.00 0.00 C ATOM 0 H ILE A 88 -2.128 -7.247 -9.081 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.230 -4.667 -8.381 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.568 -4.200 -8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.585 -7.064 -7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.426 -6.702 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.445 -4.702 -6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.956 -3.864 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.966 -5.617 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.769 -6.980 -8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.560 -5.311 -8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.399 -5.678 -7.152 1.00 0.00 H new ATOM 1334 N THR A 89 -2.414 -5.310 -11.366 1.00 0.00 N ATOM 1335 CA THR A 89 -2.268 -4.793 -12.721 1.00 0.00 C ATOM 1336 C THR A 89 -3.031 -3.484 -12.906 1.00 0.00 C ATOM 1337 O THR A 89 -2.456 -2.474 -13.306 1.00 0.00 O ATOM 1338 CB THR A 89 -2.763 -5.812 -13.766 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.334 -7.131 -13.405 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.238 -5.466 -15.151 1.00 0.00 C ATOM 0 H THR A 89 -2.622 -6.307 -11.315 1.00 0.00 H new ATOM 0 HA THR A 89 -1.204 -4.610 -12.872 1.00 0.00 H new ATOM 0 HB THR A 89 -3.852 -5.776 -13.788 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.654 -7.773 -14.073 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.601 -6.199 -15.871 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.588 -4.474 -15.436 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.148 -5.477 -15.140 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.330 -3.512 -12.628 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.168 -2.338 -12.777 1.00 0.00 C ATOM 1350 C ALA A 90 -4.737 -1.203 -11.844 1.00 0.00 C ATOM 1351 O ALA A 90 -4.664 -0.045 -12.258 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.627 -2.697 -12.542 1.00 0.00 C ATOM 0 H ALA A 90 -4.823 -4.341 -12.297 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.050 -1.979 -13.799 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.244 -1.806 -12.657 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.938 -3.450 -13.267 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.746 -3.093 -11.534 1.00 0.00 H new ATOM 1358 N SER A 91 -4.439 -1.541 -10.590 1.00 0.00 N ATOM 1359 CA SER A 91 -4.004 -0.546 -9.613 1.00 0.00 C ATOM 1360 C SER A 91 -2.682 0.084 -10.022 1.00 0.00 C ATOM 1361 O SER A 91 -2.457 1.277 -9.811 1.00 0.00 O ATOM 1362 CB SER A 91 -3.863 -1.181 -8.230 1.00 0.00 C ATOM 1363 OG SER A 91 -3.981 -2.592 -8.302 1.00 0.00 O ATOM 0 H SER A 91 -4.491 -2.493 -10.228 1.00 0.00 H new ATOM 0 HA SER A 91 -4.764 0.235 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.897 -0.915 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.628 -0.782 -7.564 1.00 0.00 H new ATOM 0 HG SER A 91 -4.205 -2.947 -7.416 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.811 -0.724 -10.603 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.519 -0.227 -11.027 1.00 0.00 C ATOM 1371 C VAL A 92 -0.649 0.630 -12.264 1.00 0.00 C ATOM 1372 O VAL A 92 -0.195 1.759 -12.271 1.00 0.00 O ATOM 1373 CB VAL A 92 0.508 -1.336 -11.307 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.746 -0.735 -11.971 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.877 -2.063 -10.022 1.00 0.00 C ATOM 0 H VAL A 92 -1.974 -1.714 -10.789 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.151 0.363 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 92 0.067 -2.066 -11.986 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.472 -1.524 -12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.461 -0.261 -12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.189 0.009 -11.309 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.605 -2.844 -10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.307 -1.355 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.017 -2.512 -9.588 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.275 0.096 -13.306 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.454 0.839 -14.529 1.00 0.00 C ATOM 1387 C ASN A 93 -1.853 2.270 -14.216 1.00 0.00 C ATOM 1388 O ASN A 93 -1.349 3.226 -14.814 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.493 0.156 -15.398 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.661 1.057 -15.755 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.664 1.102 -15.044 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.535 1.778 -16.863 1.00 0.00 N ATOM 0 H ASN A 93 -1.663 -0.847 -13.320 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.513 0.865 -15.079 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.018 -0.192 -16.315 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.868 -0.726 -14.879 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.288 2.401 -17.155 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.685 1.709 -17.422 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.744 2.405 -13.244 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.202 3.708 -12.815 1.00 0.00 C ATOM 1401 C CYS A 94 -2.048 4.522 -12.247 1.00 0.00 C ATOM 1402 O CYS A 94 -1.854 5.676 -12.624 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.306 3.574 -11.771 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.416 5.011 -11.710 1.00 0.00 S ATOM 0 H CYS A 94 -3.162 1.623 -12.740 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.603 4.227 -13.685 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.892 2.680 -11.985 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.853 3.432 -10.790 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.281 3.918 -11.338 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.151 4.613 -10.733 1.00 0.00 C ATOM 1411 C ALA A 95 0.968 4.812 -11.739 1.00 0.00 C ATOM 1412 O ALA A 95 1.592 5.862 -11.767 1.00 0.00 O ATOM 1413 CB ALA A 95 0.355 3.891 -9.508 1.00 0.00 C ATOM 0 H ALA A 95 -1.421 2.962 -11.010 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.505 5.594 -10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.197 4.439 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.443 3.825 -8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.677 2.887 -9.785 1.00 0.00 H new ATOM 1419 N LYS A 96 1.203 3.815 -12.588 1.00 0.00 N ATOM 1420 CA LYS A 96 2.225 3.936 -13.612 1.00 0.00 C ATOM 1421 C LYS A 96 2.012 5.283 -14.289 1.00 0.00 C ATOM 1422 O LYS A 96 2.948 5.998 -14.651 1.00 0.00 O ATOM 1423 CB LYS A 96 2.103 2.802 -14.633 1.00 0.00 C ATOM 1424 CG LYS A 96 3.347 2.618 -15.488 1.00 0.00 C ATOM 1425 CD LYS A 96 3.219 1.410 -16.403 1.00 0.00 C ATOM 1426 CE LYS A 96 3.447 1.788 -17.858 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.988 0.648 -18.648 1.00 0.00 N ATOM 0 H LYS A 96 0.704 2.926 -12.585 1.00 0.00 H new ATOM 0 HA LYS A 96 3.221 3.871 -13.174 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.893 1.871 -14.106 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.251 3.000 -15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.514 3.513 -16.087 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.218 2.498 -14.844 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.941 0.649 -16.106 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.228 0.970 -16.291 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.507 2.122 -18.298 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.140 2.628 -17.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.130 0.945 -19.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.897 0.346 -18.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.315 -0.145 -18.619 1.00 0.00 H new ATOM 1441 N LYS A 97 0.728 5.620 -14.383 1.00 0.00 N ATOM 1442 CA LYS A 97 0.289 6.885 -14.946 1.00 0.00 C ATOM 1443 C LYS A 97 0.389 7.987 -13.896 1.00 0.00 C ATOM 1444 O LYS A 97 0.762 9.120 -14.204 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.146 6.774 -15.464 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.527 7.874 -16.443 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.933 7.674 -16.984 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.920 7.394 -18.479 1.00 0.00 C ATOM 1449 NZ LYS A 97 -4.211 6.819 -18.947 1.00 0.00 N ATOM 0 H LYS A 97 -0.035 5.020 -14.069 1.00 0.00 H new ATOM 0 HA LYS A 97 0.938 7.136 -15.785 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.274 5.807 -15.950 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.832 6.799 -14.617 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.461 8.843 -15.948 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.817 7.889 -17.269 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.411 6.845 -16.462 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.531 8.563 -16.784 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.717 8.318 -19.020 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.109 6.704 -18.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.162 6.643 -19.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.393 5.924 -18.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.982 7.488 -18.748 1.00 0.00 H new ATOM 1463 N ILE A 98 0.069 7.643 -12.646 1.00 0.00 N ATOM 1464 CA ILE A 98 0.140 8.605 -11.556 1.00 0.00 C ATOM 1465 C ILE A 98 1.561 9.150 -11.418 1.00 0.00 C ATOM 1466 O ILE A 98 1.773 10.361 -11.366 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.319 8.001 -10.210 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.791 7.580 -10.291 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.125 9.011 -9.086 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.257 6.773 -9.098 1.00 0.00 C ATOM 0 H ILE A 98 -0.239 6.711 -12.370 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.543 9.418 -11.805 1.00 0.00 H new ATOM 0 HB ILE A 98 0.287 7.120 -9.999 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.411 8.472 -10.380 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.943 6.994 -11.197 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.452 8.573 -8.143 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.929 9.279 -9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.713 9.905 -9.294 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.307 6.510 -9.224 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.662 5.863 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.137 7.364 -8.190 1.00 0.00 H new ATOM 1482 N VAL A 99 2.526 8.237 -11.360 1.00 0.00 N ATOM 1483 CA VAL A 99 3.929 8.600 -11.229 1.00 0.00 C ATOM 1484 C VAL A 99 4.470 9.195 -12.525 1.00 0.00 C ATOM 1485 O VAL A 99 5.402 10.000 -12.503 1.00 0.00 O ATOM 1486 CB VAL A 99 4.787 7.391 -10.810 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.192 6.555 -12.015 1.00 0.00 C ATOM 1488 CG2 VAL A 99 6.012 7.853 -10.036 1.00 0.00 C ATOM 0 H VAL A 99 2.357 7.232 -11.402 1.00 0.00 H new ATOM 0 HA VAL A 99 3.991 9.356 -10.446 1.00 0.00 H new ATOM 0 HB VAL A 99 4.183 6.759 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.796 5.710 -11.685 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.299 6.187 -12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.772 7.168 -12.705 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.608 6.987 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.611 8.513 -10.663 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.696 8.391 -9.142 1.00 0.00 H new ATOM 1498 N SER A 100 3.866 8.821 -13.653 1.00 0.00 N ATOM 1499 CA SER A 100 4.284 9.355 -14.944 1.00 0.00 C ATOM 1500 C SER A 100 3.636 10.716 -15.170 1.00 0.00 C ATOM 1501 O SER A 100 3.943 11.416 -16.135 1.00 0.00 O ATOM 1502 CB SER A 100 3.903 8.398 -16.073 1.00 0.00 C ATOM 1503 OG SER A 100 4.987 7.551 -16.413 1.00 0.00 O ATOM 0 H SER A 100 3.093 8.157 -13.697 1.00 0.00 H new ATOM 0 HA SER A 100 5.368 9.467 -14.942 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.048 7.795 -15.769 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.595 8.969 -16.949 1.00 0.00 H new ATOM 0 HG SER A 100 4.716 6.948 -17.136 1.00 0.00 H new ATOM 1509 N ASP A 101 2.734 11.078 -14.260 1.00 0.00 N ATOM 1510 CA ASP A 101 2.027 12.352 -14.336 1.00 0.00 C ATOM 1511 C ASP A 101 2.691 13.401 -13.447 1.00 0.00 C ATOM 1512 O ASP A 101 2.289 14.565 -13.443 1.00 0.00 O ATOM 1513 CB ASP A 101 0.564 12.173 -13.929 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.384 12.306 -15.106 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.281 11.489 -16.045 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.227 13.227 -15.088 1.00 0.00 O ATOM 0 H ASP A 101 2.476 10.503 -13.458 1.00 0.00 H new ATOM 0 HA ASP A 101 2.070 12.700 -15.368 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.435 11.193 -13.471 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.307 12.915 -13.173 1.00 0.00 H new ATOM 1521 N GLY A 102 3.711 12.987 -12.697 1.00 0.00 N ATOM 1522 CA GLY A 102 4.409 13.913 -11.822 1.00 0.00 C ATOM 1523 C GLY A 102 4.614 13.364 -10.421 1.00 0.00 C ATOM 1524 O GLY A 102 5.729 13.384 -9.899 1.00 0.00 O ATOM 0 H GLY A 102 4.065 12.030 -12.680 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.379 14.155 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.845 14.844 -11.763 1.00 0.00 H new ATOM 1528 N ASN A 103 3.536 12.881 -9.810 1.00 0.00 N ATOM 1529 CA ASN A 103 3.598 12.331 -8.458 1.00 0.00 C ATOM 1530 C ASN A 103 4.576 11.162 -8.378 1.00 0.00 C ATOM 1531 O ASN A 103 4.221 10.022 -8.672 1.00 0.00 O ATOM 1532 CB ASN A 103 2.208 11.879 -8.013 1.00 0.00 C ATOM 1533 CG ASN A 103 1.197 13.008 -8.038 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.429 13.148 -8.990 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.192 13.822 -6.989 1.00 0.00 N ATOM 0 H ASN A 103 2.607 12.859 -10.230 1.00 0.00 H new ATOM 0 HA ASN A 103 3.955 13.116 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.865 11.074 -8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.268 11.471 -7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.534 14.600 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.846 13.669 -6.222 1.00 0.00 H new ATOM 1542 N GLY A 104 5.810 11.455 -7.979 1.00 0.00 N ATOM 1543 CA GLY A 104 6.823 10.420 -7.873 1.00 0.00 C ATOM 1544 C GLY A 104 7.002 9.897 -6.458 1.00 0.00 C ATOM 1545 O GLY A 104 8.035 10.140 -5.834 1.00 0.00 O ATOM 0 H GLY A 104 6.127 12.391 -7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.555 9.591 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.774 10.814 -8.230 1.00 0.00 H new ATOM 1549 N MET A 105 5.981 9.198 -5.951 1.00 0.00 N ATOM 1550 CA MET A 105 5.993 8.641 -4.599 1.00 0.00 C ATOM 1551 C MET A 105 5.558 9.703 -3.607 1.00 0.00 C ATOM 1552 O MET A 105 5.572 9.488 -2.394 1.00 0.00 O ATOM 1553 CB MET A 105 7.376 8.093 -4.221 1.00 0.00 C ATOM 1554 CG MET A 105 7.973 7.155 -5.261 1.00 0.00 C ATOM 1555 SD MET A 105 6.737 6.110 -6.055 1.00 0.00 S ATOM 1556 CE MET A 105 6.106 5.208 -4.644 1.00 0.00 C ATOM 0 H MET A 105 5.124 9.004 -6.469 1.00 0.00 H new ATOM 0 HA MET A 105 5.294 7.805 -4.571 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.058 8.929 -4.067 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.299 7.565 -3.271 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.487 7.743 -6.021 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.724 6.524 -4.785 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.055 4.146 -4.884 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.769 5.356 -3.792 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.109 5.572 -4.396 1.00 0.00 H new ATOM 1566 N ASN A 106 5.174 10.854 -4.141 1.00 0.00 N ATOM 1567 CA ASN A 106 4.731 11.976 -3.332 1.00 0.00 C ATOM 1568 C ASN A 106 3.216 11.962 -3.144 1.00 0.00 C ATOM 1569 O ASN A 106 2.708 12.399 -2.111 1.00 0.00 O ATOM 1570 CB ASN A 106 5.160 13.275 -4.003 1.00 0.00 C ATOM 1571 CG ASN A 106 6.515 13.759 -3.525 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.524 13.070 -3.681 1.00 0.00 O ATOM 1573 ND2 ASN A 106 6.545 14.949 -2.937 1.00 0.00 N ATOM 0 H ASN A 106 5.161 11.034 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 106 5.189 11.896 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.191 13.129 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.414 14.045 -3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.428 15.326 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.685 15.486 -2.829 1.00 0.00 H new ATOM 1580 N ALA A 107 2.501 11.455 -4.145 1.00 0.00 N ATOM 1581 CA ALA A 107 1.046 11.384 -4.081 1.00 0.00 C ATOM 1582 C ALA A 107 0.605 10.495 -2.927 1.00 0.00 C ATOM 1583 O ALA A 107 -0.466 10.686 -2.352 1.00 0.00 O ATOM 1584 CB ALA A 107 0.478 10.866 -5.392 1.00 0.00 C ATOM 0 H ALA A 107 2.905 11.089 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 107 0.662 12.390 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.609 10.820 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.763 11.537 -6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.872 9.869 -5.590 1.00 0.00 H new ATOM 1590 N TRP A 108 1.446 9.523 -2.598 1.00 0.00 N ATOM 1591 CA TRP A 108 1.160 8.595 -1.515 1.00 0.00 C ATOM 1592 C TRP A 108 1.775 9.096 -0.209 1.00 0.00 C ATOM 1593 O TRP A 108 2.986 9.293 -0.112 1.00 0.00 O ATOM 1594 CB TRP A 108 1.676 7.204 -1.879 1.00 0.00 C ATOM 1595 CG TRP A 108 1.114 6.701 -3.177 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.039 5.991 -3.351 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.672 6.883 -4.486 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.230 5.716 -4.684 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.805 6.254 -5.403 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.818 7.517 -4.971 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 1.053 6.241 -6.775 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.063 7.503 -6.333 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.183 6.870 -7.221 1.00 0.00 C ATOM 0 H TRP A 108 2.335 9.358 -3.069 1.00 0.00 H new ATOM 0 HA TRP A 108 0.082 8.531 -1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.764 7.230 -1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.421 6.506 -1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.705 5.689 -2.556 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.015 5.196 -5.075 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.501 8.010 -4.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.377 5.752 -7.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.948 7.988 -6.718 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.401 6.879 -8.279 1.00 0.00 H new ATOM 1614 N VAL A 109 0.917 9.327 0.780 1.00 0.00 N ATOM 1615 CA VAL A 109 1.342 9.841 2.082 1.00 0.00 C ATOM 1616 C VAL A 109 2.114 8.822 2.906 1.00 0.00 C ATOM 1617 O VAL A 109 2.889 9.194 3.787 1.00 0.00 O ATOM 1618 CB VAL A 109 0.152 10.307 2.913 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.500 11.565 3.692 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.081 10.525 2.048 1.00 0.00 C ATOM 0 H VAL A 109 -0.087 9.165 0.705 1.00 0.00 H new ATOM 0 HA VAL A 109 2.001 10.678 1.852 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.085 9.518 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.363 11.880 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.337 11.360 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.776 12.358 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.910 10.857 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.868 11.284 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.350 9.591 1.555 1.00 0.00 H new ATOM 1630 N ALA A 110 1.918 7.543 2.626 1.00 0.00 N ATOM 1631 CA ALA A 110 2.622 6.502 3.363 1.00 0.00 C ATOM 1632 C ALA A 110 4.103 6.523 3.030 1.00 0.00 C ATOM 1633 O ALA A 110 4.939 6.133 3.845 1.00 0.00 O ATOM 1634 CB ALA A 110 2.023 5.135 3.066 1.00 0.00 C ATOM 0 H ALA A 110 1.285 7.202 1.902 1.00 0.00 H new ATOM 0 HA ALA A 110 2.508 6.699 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.563 4.372 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.973 5.126 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.103 4.927 1.999 1.00 0.00 H new ATOM 1640 N TRP A 111 4.424 6.998 1.834 1.00 0.00 N ATOM 1641 CA TRP A 111 5.810 7.088 1.413 1.00 0.00 C ATOM 1642 C TRP A 111 6.449 8.343 1.992 1.00 0.00 C ATOM 1643 O TRP A 111 7.617 8.334 2.374 1.00 0.00 O ATOM 1644 CB TRP A 111 5.926 7.076 -0.114 1.00 0.00 C ATOM 1645 CG TRP A 111 7.344 7.098 -0.602 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.103 6.019 -0.956 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.174 8.251 -0.788 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.353 6.431 -1.350 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.421 7.795 -1.257 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.984 9.624 -0.606 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.471 8.664 -1.544 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.027 10.485 -0.891 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.257 10.002 -1.356 1.00 0.00 C ATOM 0 H TRP A 111 3.747 7.324 1.145 1.00 0.00 H new ATOM 0 HA TRP A 111 6.342 6.215 1.791 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.429 6.187 -0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.397 7.939 -0.518 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.769 4.992 -0.930 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.108 5.820 -1.661 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.039 10.005 -0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.421 8.295 -1.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.891 11.548 -0.753 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.053 10.700 -1.570 1.00 0.00 H new ATOM 1664 N ARG A 112 5.677 9.425 2.084 1.00 0.00 N ATOM 1665 CA ARG A 112 6.183 10.668 2.647 1.00 0.00 C ATOM 1666 C ARG A 112 5.900 10.727 4.142 1.00 0.00 C ATOM 1667 O ARG A 112 5.433 11.742 4.660 1.00 0.00 O ATOM 1668 CB ARG A 112 5.531 11.858 1.963 1.00 0.00 C ATOM 1669 CG ARG A 112 6.326 12.402 0.788 1.00 0.00 C ATOM 1670 CD ARG A 112 5.883 13.809 0.420 1.00 0.00 C ATOM 1671 NE ARG A 112 6.517 14.820 1.262 1.00 0.00 N ATOM 1672 CZ ARG A 112 5.873 15.865 1.774 1.00 0.00 C ATOM 1673 NH1 ARG A 112 4.581 16.035 1.532 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.522 16.739 2.530 1.00 0.00 N ATOM 0 H ARG A 112 4.705 9.463 1.777 1.00 0.00 H new ATOM 0 HA ARG A 112 7.260 10.704 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.540 11.567 1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.391 12.654 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.387 12.407 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.203 11.744 -0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.125 14.004 -0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.800 13.885 0.516 1.00 0.00 H new ATOM 0 HE ARG A 112 7.511 14.719 1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.078 15.363 0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.090 16.837 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.516 16.610 2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.027 17.540 2.922 1.00 0.00 H new ATOM 1688 N ASN A 113 6.194 9.637 4.827 1.00 0.00 N ATOM 1689 CA ASN A 113 5.986 9.558 6.265 1.00 0.00 C ATOM 1690 C ASN A 113 6.948 8.558 6.894 1.00 0.00 C ATOM 1691 O ASN A 113 7.734 8.904 7.777 1.00 0.00 O ATOM 1692 CB ASN A 113 4.542 9.155 6.573 1.00 0.00 C ATOM 1693 CG ASN A 113 4.020 9.798 7.843 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.027 11.020 7.981 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.567 8.973 8.780 1.00 0.00 N ATOM 0 H ASN A 113 6.579 8.790 4.410 1.00 0.00 H new ATOM 0 HA ASN A 113 6.178 10.543 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.903 9.438 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.483 8.071 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.206 9.347 9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.580 7.965 8.622 1.00 0.00 H new ATOM 1702 N ARG A 114 6.870 7.316 6.438 1.00 0.00 N ATOM 1703 CA ARG A 114 7.720 6.254 6.959 1.00 0.00 C ATOM 1704 C ARG A 114 8.745 5.787 5.927 1.00 0.00 C ATOM 1705 O ARG A 114 9.435 4.791 6.141 1.00 0.00 O ATOM 1706 CB ARG A 114 6.862 5.073 7.401 1.00 0.00 C ATOM 1707 CG ARG A 114 6.431 5.141 8.858 1.00 0.00 C ATOM 1708 CD ARG A 114 7.540 4.679 9.789 1.00 0.00 C ATOM 1709 NE ARG A 114 7.040 3.792 10.836 1.00 0.00 N ATOM 1710 CZ ARG A 114 7.797 3.307 11.816 1.00 0.00 C ATOM 1711 NH1 ARG A 114 9.084 3.624 11.884 1.00 0.00 N ATOM 1712 NH2 ARG A 114 7.268 2.506 12.730 1.00 0.00 N ATOM 0 H ARG A 114 6.225 7.018 5.706 1.00 0.00 H new ATOM 0 HA ARG A 114 8.265 6.657 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.974 5.025 6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.419 4.150 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.148 6.164 9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.548 4.520 9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.307 4.162 9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.016 5.547 10.246 1.00 0.00 H new ATOM 0 HE ARG A 114 6.055 3.530 10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.495 4.241 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.662 3.251 12.637 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.279 2.261 12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.850 2.135 13.481 1.00 0.00 H new ATOM 1726 N CYS A 115 8.837 6.497 4.807 1.00 0.00 N ATOM 1727 CA CYS A 115 9.778 6.125 3.756 1.00 0.00 C ATOM 1728 C CYS A 115 10.824 7.209 3.522 1.00 0.00 C ATOM 1729 O CYS A 115 12.023 6.935 3.551 1.00 0.00 O ATOM 1730 CB CYS A 115 9.033 5.828 2.457 1.00 0.00 C ATOM 1731 SG CYS A 115 7.749 4.551 2.629 1.00 0.00 S ATOM 0 H CYS A 115 8.277 7.325 4.605 1.00 0.00 H new ATOM 0 HA CYS A 115 10.299 5.226 4.087 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.573 6.747 2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.751 5.510 1.701 1.00 0.00 H new ATOM 1736 N LYS A 116 10.372 8.438 3.288 1.00 0.00 N ATOM 1737 CA LYS A 116 11.286 9.548 3.048 1.00 0.00 C ATOM 1738 C LYS A 116 12.118 9.844 4.291 1.00 0.00 C ATOM 1739 O LYS A 116 11.759 10.697 5.103 1.00 0.00 O ATOM 1740 CB LYS A 116 10.506 10.796 2.631 1.00 0.00 C ATOM 1741 CG LYS A 116 11.389 11.924 2.122 1.00 0.00 C ATOM 1742 CD LYS A 116 10.592 12.934 1.312 1.00 0.00 C ATOM 1743 CE LYS A 116 11.497 13.966 0.661 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.009 14.361 -0.689 1.00 0.00 N ATOM 0 H LYS A 116 9.384 8.689 3.260 1.00 0.00 H new ATOM 0 HA LYS A 116 11.961 9.264 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.792 10.525 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.928 11.154 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.863 12.426 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.189 11.512 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.019 12.415 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.874 13.436 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.557 14.849 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.506 13.563 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.654 15.066 -1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.975 13.524 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.056 14.769 -0.608 1.00 0.00 H new ATOM 1758 N GLY A 117 13.232 9.132 4.433 1.00 0.00 N ATOM 1759 CA GLY A 117 14.096 9.333 5.579 1.00 0.00 C ATOM 1760 C GLY A 117 14.749 8.048 6.052 1.00 0.00 C ATOM 1761 O GLY A 117 15.575 8.067 6.965 1.00 0.00 O ATOM 0 H GLY A 117 13.550 8.421 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.870 10.056 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.516 9.763 6.395 1.00 0.00 H new ATOM 1765 N THR A 118 14.383 6.929 5.432 1.00 0.00 N ATOM 1766 CA THR A 118 14.943 5.633 5.798 1.00 0.00 C ATOM 1767 C THR A 118 15.657 4.995 4.606 1.00 0.00 C ATOM 1768 O THR A 118 16.241 5.696 3.779 1.00 0.00 O ATOM 1769 CB THR A 118 13.851 4.677 6.311 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.826 4.525 5.320 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.238 5.198 7.603 1.00 0.00 C ATOM 0 H THR A 118 13.701 6.895 4.674 1.00 0.00 H new ATOM 0 HA THR A 118 15.662 5.805 6.599 1.00 0.00 H new ATOM 0 HB THR A 118 14.312 3.709 6.509 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.136 3.914 5.654 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.469 4.506 7.946 1.00 0.00 H new ATOM 0 HG22 THR A 118 14.013 5.285 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.792 6.177 7.425 1.00 0.00 H new ATOM 1779 N ASP A 119 15.611 3.668 4.523 1.00 0.00 N ATOM 1780 CA ASP A 119 16.259 2.953 3.429 1.00 0.00 C ATOM 1781 C ASP A 119 15.329 1.926 2.794 1.00 0.00 C ATOM 1782 O ASP A 119 15.121 0.840 3.336 1.00 0.00 O ATOM 1783 CB ASP A 119 17.518 2.277 3.915 1.00 0.00 C ATOM 1784 CG ASP A 119 18.573 2.164 2.832 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.376 1.368 1.892 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.597 2.873 2.927 1.00 0.00 O ATOM 0 H ASP A 119 15.134 3.069 5.197 1.00 0.00 H new ATOM 0 HA ASP A 119 16.515 3.688 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.925 2.837 4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.272 1.281 4.284 1.00 0.00 H new ATOM 1791 N VAL A 120 14.783 2.277 1.637 1.00 0.00 N ATOM 1792 CA VAL A 120 13.882 1.398 0.907 1.00 0.00 C ATOM 1793 C VAL A 120 14.661 0.279 0.233 1.00 0.00 C ATOM 1794 O VAL A 120 14.160 -0.833 0.075 1.00 0.00 O ATOM 1795 CB VAL A 120 13.079 2.168 -0.158 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.062 3.086 0.501 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.012 2.958 -1.064 1.00 0.00 C ATOM 0 H VAL A 120 14.951 3.174 1.181 1.00 0.00 H new ATOM 0 HA VAL A 120 13.184 0.977 1.631 1.00 0.00 H new ATOM 0 HB VAL A 120 12.540 1.446 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.504 3.622 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.373 2.493 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.579 3.802 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.426 3.495 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.581 3.671 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.698 2.275 -1.565 1.00 0.00 H new ATOM 1807 N GLN A 121 15.902 0.578 -0.145 1.00 0.00 N ATOM 1808 CA GLN A 121 16.759 -0.412 -0.779 1.00 0.00 C ATOM 1809 C GLN A 121 16.948 -1.588 0.166 1.00 0.00 C ATOM 1810 O GLN A 121 17.242 -2.707 -0.256 1.00 0.00 O ATOM 1811 CB GLN A 121 18.113 0.200 -1.141 1.00 0.00 C ATOM 1812 CG GLN A 121 18.239 0.575 -2.608 1.00 0.00 C ATOM 1813 CD GLN A 121 17.633 1.929 -2.918 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.252 2.967 -2.687 1.00 0.00 O ATOM 1815 NE2 GLN A 121 16.412 1.927 -3.443 1.00 0.00 N ATOM 0 H GLN A 121 16.332 1.495 -0.023 1.00 0.00 H new ATOM 0 HA GLN A 121 16.287 -0.757 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.275 1.090 -0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.902 -0.508 -0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.292 0.580 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.750 -0.186 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.934 1.043 -3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 121 15.953 2.809 -3.670 1.00 0.00 H new ATOM 1824 N ALA A 122 16.757 -1.316 1.453 1.00 0.00 N ATOM 1825 CA ALA A 122 16.881 -2.333 2.484 1.00 0.00 C ATOM 1826 C ALA A 122 15.538 -3.012 2.720 1.00 0.00 C ATOM 1827 O ALA A 122 15.478 -4.131 3.230 1.00 0.00 O ATOM 1828 CB ALA A 122 17.403 -1.721 3.774 1.00 0.00 C ATOM 0 H ALA A 122 16.514 -0.390 1.806 1.00 0.00 H new ATOM 0 HA ALA A 122 17.595 -3.085 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.490 -2.496 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.382 -1.276 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.712 -0.951 4.117 1.00 0.00 H new ATOM 1834 N TRP A 123 14.457 -2.330 2.336 1.00 0.00 N ATOM 1835 CA TRP A 123 13.114 -2.883 2.500 1.00 0.00 C ATOM 1836 C TRP A 123 12.954 -4.164 1.688 1.00 0.00 C ATOM 1837 O TRP A 123 12.035 -4.949 1.921 1.00 0.00 O ATOM 1838 CB TRP A 123 12.054 -1.864 2.077 1.00 0.00 C ATOM 1839 CG TRP A 123 11.587 -0.978 3.194 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.372 0.367 3.131 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.271 -1.370 4.538 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.949 0.834 4.351 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.881 -0.217 5.228 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.282 -2.581 5.227 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.508 -0.249 6.564 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.911 -2.611 6.552 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.527 -1.448 7.211 1.00 0.00 C ATOM 0 H TRP A 123 14.485 -1.402 1.913 1.00 0.00 H new ATOM 0 HA TRP A 123 12.975 -3.117 3.555 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.459 -1.243 1.278 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.196 -2.396 1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.514 0.976 2.250 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.722 1.804 4.569 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.580 -3.490 4.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.210 0.653 7.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.918 -3.549 7.087 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.240 -1.496 8.251 1.00 0.00 H new ATOM 1858 N ILE A 124 13.858 -4.368 0.734 1.00 0.00 N ATOM 1859 CA ILE A 124 13.826 -5.554 -0.114 1.00 0.00 C ATOM 1860 C ILE A 124 15.169 -6.277 -0.085 1.00 0.00 C ATOM 1861 O ILE A 124 15.435 -7.151 -0.911 1.00 0.00 O ATOM 1862 CB ILE A 124 13.477 -5.198 -1.571 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.393 -4.086 -2.084 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.017 -4.782 -1.680 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.756 -4.226 -3.546 1.00 0.00 C ATOM 0 H ILE A 124 14.623 -3.725 0.529 1.00 0.00 H new ATOM 0 HA ILE A 124 13.050 -6.209 0.283 1.00 0.00 H new ATOM 0 HB ILE A 124 13.631 -6.082 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.904 -3.124 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.307 -4.077 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.786 -4.533 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.379 -5.603 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.839 -3.911 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.407 -3.403 -3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.274 -5.172 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.849 -4.204 -4.150 1.00 0.00 H new ATOM 1877 N ARG A 125 16.010 -5.900 0.872 1.00 0.00 N ATOM 1878 CA ARG A 125 17.329 -6.504 1.018 1.00 0.00 C ATOM 1879 C ARG A 125 17.215 -7.984 1.374 1.00 0.00 C ATOM 1880 O ARG A 125 16.999 -8.339 2.533 1.00 0.00 O ATOM 1881 CB ARG A 125 18.134 -5.771 2.092 1.00 0.00 C ATOM 1882 CG ARG A 125 19.525 -5.362 1.635 1.00 0.00 C ATOM 1883 CD ARG A 125 20.285 -4.644 2.738 1.00 0.00 C ATOM 1884 NE ARG A 125 21.403 -3.863 2.214 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.188 -3.100 2.968 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.978 -3.015 4.276 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.183 -2.419 2.416 1.00 0.00 N ATOM 0 H ARG A 125 15.801 -5.177 1.560 1.00 0.00 H new ATOM 0 HA ARG A 125 17.847 -6.417 0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.586 -4.881 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.222 -6.412 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.082 -6.246 1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.446 -4.712 0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.604 -3.986 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.658 -5.374 3.456 1.00 0.00 H new ATOM 0 HE ARG A 125 21.592 -3.906 1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.213 -3.536 4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.582 -2.429 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.347 -2.480 1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.784 -1.834 2.996 1.00 0.00 H new ATOM 1901 N GLY A 126 17.362 -8.842 0.368 1.00 0.00 N ATOM 1902 CA GLY A 126 17.274 -10.273 0.595 1.00 0.00 C ATOM 1903 C GLY A 126 16.074 -10.898 -0.091 1.00 0.00 C ATOM 1904 O GLY A 126 15.876 -12.112 -0.026 1.00 0.00 O ATOM 0 H GLY A 126 17.540 -8.572 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.185 -10.751 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.216 -10.465 1.666 1.00 0.00 H new ATOM 1908 N CYS A 127 15.270 -10.068 -0.747 1.00 0.00 N ATOM 1909 CA CYS A 127 14.083 -10.540 -1.445 1.00 0.00 C ATOM 1910 C CYS A 127 14.446 -11.449 -2.614 1.00 0.00 C ATOM 1911 O CYS A 127 15.613 -11.791 -2.809 1.00 0.00 O ATOM 1912 CB CYS A 127 13.266 -9.362 -1.935 1.00 0.00 C ATOM 1913 SG CYS A 127 12.002 -8.787 -0.754 1.00 0.00 S ATOM 0 H CYS A 127 15.421 -9.061 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 127 13.490 -11.123 -0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.940 -8.535 -2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.776 -9.637 -2.869 1.00 0.00 H new ATOM 1918 N ARG A 128 13.439 -11.837 -3.388 1.00 0.00 N ATOM 1919 CA ARG A 128 13.649 -12.707 -4.540 1.00 0.00 C ATOM 1920 C ARG A 128 12.764 -12.285 -5.709 1.00 0.00 C ATOM 1921 O ARG A 128 11.637 -12.760 -5.850 1.00 0.00 O ATOM 1922 CB ARG A 128 13.361 -14.162 -4.165 1.00 0.00 C ATOM 1923 CG ARG A 128 13.942 -15.169 -5.144 1.00 0.00 C ATOM 1924 CD ARG A 128 14.355 -16.453 -4.443 1.00 0.00 C ATOM 1925 NE ARG A 128 14.135 -17.629 -5.280 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.391 -18.668 -4.912 1.00 0.00 C ATOM 1927 NH1 ARG A 128 12.799 -18.678 -3.726 1.00 0.00 N ATOM 1928 NH2 ARG A 128 13.240 -19.700 -5.732 1.00 0.00 N ATOM 0 H ARG A 128 12.468 -11.563 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 128 14.691 -12.618 -4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.764 -14.359 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.282 -14.306 -4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.206 -15.395 -5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.806 -14.733 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.409 -16.394 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.791 -16.557 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 128 14.577 -17.655 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.913 -17.887 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.229 -19.477 -3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.695 -19.697 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.669 -20.497 -5.449 1.00 0.00 H new ATOM 1942 N LEU A 129 13.284 -11.392 -6.545 1.00 0.00 N ATOM 1943 CA LEU A 129 12.542 -10.905 -7.703 1.00 0.00 C ATOM 1944 C LEU A 129 13.415 -10.922 -8.953 1.00 0.00 C ATOM 1945 O LEU A 129 12.877 -11.206 -10.045 1.00 0.00 O ATOM 1946 CB LEU A 129 12.026 -9.488 -7.445 1.00 0.00 C ATOM 1947 CG LEU A 129 13.058 -8.516 -6.873 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.374 -7.420 -7.878 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.558 -7.917 -5.567 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.628 -10.650 -8.831 1.00 0.00 O ATOM 0 H LEU A 129 14.216 -10.991 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 129 11.693 -11.569 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.646 -9.080 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.183 -9.545 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 129 13.976 -9.068 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.110 -6.738 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.775 -7.866 -8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.463 -6.870 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.305 -7.227 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.627 -7.380 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.384 -8.714 -4.844 1.00 0.00 H new