USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 0 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 66 THR OG1 : rot 180:sc= 0.075 USER MOD Set 1.2: A 67 MET CE :methyl -176:sc=-0.00644 (180deg=-0.00486) USER MOD Single : A 15 ASN : amide:sc= -0.501 K(o=-0.5,f=-3.4!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 46:sc= 0.153 USER MOD Single : A 22 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.1!) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0456) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -4.99! C(o=-5!,f=-15!) USER MOD Single : A 29 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-3!) USER MOD Single : A 32 ASN : amide:sc= -0.0755 X(o=-0.076,f=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.42) USER MOD Single : A 41 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-2.8!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.3! C(o=-2.3!,f=-1.9!) USER MOD Single : A 56 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -116:sc= 1.18 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00147 USER MOD Single : A 75 ASN : amide:sc= -1.86! C(o=-1.9!,f=-1.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0829 USER MOD Single : A 81 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.4!) USER MOD Single : A 82 GLN : amide:sc= -0.79 K(o=-0.79,f=-1.9!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -27.5! C(o=-28!,f=-28!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -2.87! C(o=-4.5!,f=-2.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.31! C(o=-1.3!,f=-4.6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -10.8! C(o=-11!,f=-16!) USER MOD Single : A 100 ASN : amide:sc= -1.36! C(o=-1.4!,f=-4.9!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -4.07 K(o=-4.1,f=-9.1!) USER MOD Single : A 107 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.1!) USER MOD Single : A 114 TYR OH : rot 130:sc=-0.00366 USER MOD Single : A 116 GLN : amide:sc= -0.424 K(o=-0.42,f=-2.8!) USER MOD Single : A 120 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.147) USER MOD Single : A 124 GLN :FLIP amide:sc= -13.3! C(o=-16!,f=-13!) USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 38 N CYS A 11 18.840 20.307 -2.628 1.00 1.00 N ATOM 39 CA CYS A 11 19.753 19.207 -2.206 1.00 1.00 C ATOM 40 C CYS A 11 19.640 18.043 -3.192 1.00 1.00 C ATOM 41 O CYS A 11 19.325 18.227 -4.351 1.00 1.00 O ATOM 42 CB CYS A 11 19.364 18.729 -0.805 1.00 1.00 C ATOM 43 SG CYS A 11 18.790 20.138 0.175 1.00 1.00 S ATOM 0 HA CYS A 11 20.780 19.573 -2.193 1.00 1.00 H new ATOM 0 HB2 CYS A 11 18.580 17.975 -0.871 1.00 1.00 H new ATOM 0 HB3 CYS A 11 20.219 18.258 -0.319 1.00 1.00 H new ATOM 44 N ASP A 12 19.894 16.845 -2.743 1.00 1.00 N ATOM 45 CA ASP A 12 19.800 15.671 -3.656 1.00 1.00 C ATOM 46 C ASP A 12 20.398 14.442 -2.968 1.00 1.00 C ATOM 47 O ASP A 12 21.119 13.671 -3.571 1.00 1.00 O ATOM 48 CB ASP A 12 20.574 15.963 -4.943 1.00 1.00 C ATOM 49 CG ASP A 12 19.613 15.940 -6.133 1.00 1.00 C ATOM 50 OD1 ASP A 12 18.468 16.320 -5.952 1.00 1.00 O ATOM 51 OD2 ASP A 12 20.038 15.543 -7.205 1.00 1.00 O ATOM 0 H ASP A 12 20.163 16.628 -1.783 1.00 1.00 H new ATOM 0 HA ASP A 12 18.754 15.480 -3.897 1.00 1.00 H new ATOM 0 HB2 ASP A 12 21.061 16.936 -4.874 1.00 1.00 H new ATOM 0 HB3 ASP A 12 21.361 15.222 -5.083 1.00 1.00 H new ATOM 52 N CYS A 13 20.106 14.253 -1.710 1.00 1.00 N ATOM 53 CA CYS A 13 20.659 13.073 -0.987 1.00 1.00 C ATOM 54 C CYS A 13 19.907 12.885 0.333 1.00 1.00 C ATOM 55 O CYS A 13 19.389 13.827 0.901 1.00 1.00 O ATOM 56 CB CYS A 13 22.145 13.302 -0.705 1.00 1.00 C ATOM 57 SG CYS A 13 23.096 13.005 -2.217 1.00 1.00 S ATOM 0 H CYS A 13 19.509 14.864 -1.152 1.00 1.00 H new ATOM 0 HA CYS A 13 20.540 12.179 -1.600 1.00 1.00 H new ATOM 0 HB2 CYS A 13 22.307 14.321 -0.354 1.00 1.00 H new ATOM 0 HB3 CYS A 13 22.483 12.635 0.088 1.00 1.00 H new ATOM 58 N LEU A 14 19.839 11.677 0.828 1.00 1.00 N ATOM 59 CA LEU A 14 19.115 11.439 2.109 1.00 1.00 C ATOM 60 C LEU A 14 19.878 10.402 2.941 1.00 1.00 C ATOM 61 O LEU A 14 21.078 10.260 2.820 1.00 1.00 O ATOM 62 CB LEU A 14 17.699 10.931 1.803 1.00 1.00 C ATOM 63 CG LEU A 14 17.770 9.669 0.936 1.00 1.00 C ATOM 64 CD1 LEU A 14 18.001 8.439 1.814 1.00 1.00 C ATOM 65 CD2 LEU A 14 16.451 9.499 0.187 1.00 1.00 C ATOM 0 H LEU A 14 20.253 10.848 0.401 1.00 1.00 H new ATOM 0 HA LEU A 14 19.048 12.368 2.675 1.00 1.00 H new ATOM 0 HB2 LEU A 14 17.173 10.714 2.733 1.00 1.00 H new ATOM 0 HB3 LEU A 14 17.130 11.705 1.288 1.00 1.00 H new ATOM 0 HG LEU A 14 18.595 9.770 0.231 1.00 1.00 H new ATOM 0 HD11 LEU A 14 18.050 7.549 1.187 1.00 1.00 H new ATOM 0 HD12 LEU A 14 18.939 8.551 2.358 1.00 1.00 H new ATOM 0 HD13 LEU A 14 17.180 8.339 2.523 1.00 1.00 H new ATOM 0 HD21 LEU A 14 16.497 8.602 -0.431 1.00 1.00 H new ATOM 0 HD22 LEU A 14 15.635 9.404 0.904 1.00 1.00 H new ATOM 0 HD23 LEU A 14 16.278 10.369 -0.447 1.00 1.00 H new ATOM 66 N ASN A 15 19.194 9.678 3.785 1.00 1.00 N ATOM 67 CA ASN A 15 19.878 8.652 4.615 1.00 1.00 C ATOM 68 C ASN A 15 20.799 9.342 5.620 1.00 1.00 C ATOM 69 O ASN A 15 21.761 8.771 6.093 1.00 1.00 O ATOM 70 CB ASN A 15 20.704 7.732 3.714 1.00 1.00 C ATOM 71 CG ASN A 15 20.007 6.376 3.591 1.00 1.00 C ATOM 72 OD1 ASN A 15 18.893 6.209 4.047 1.00 1.00 O ATOM 73 ND2 ASN A 15 20.620 5.394 2.990 1.00 1.00 N ATOM 0 H ASN A 15 18.188 9.755 3.934 1.00 1.00 H new ATOM 0 HA ASN A 15 19.133 8.062 5.149 1.00 1.00 H new ATOM 0 HB2 ASN A 15 20.823 8.182 2.728 1.00 1.00 H new ATOM 0 HB3 ASN A 15 21.704 7.602 4.128 1.00 1.00 H new ATOM 0 HD21 ASN A 15 20.164 4.486 2.903 1.00 1.00 H new ATOM 0 HD22 ASN A 15 21.555 5.534 2.607 1.00 1.00 H new ATOM 74 N GLY A 16 20.512 10.570 5.944 1.00 1.00 N ATOM 75 CA GLY A 16 21.368 11.307 6.913 1.00 1.00 C ATOM 76 C GLY A 16 22.444 12.077 6.153 1.00 1.00 C ATOM 77 O GLY A 16 23.437 12.499 6.712 1.00 1.00 O ATOM 0 H GLY A 16 19.719 11.097 5.578 1.00 1.00 H new ATOM 0 HA2 GLY A 16 20.761 11.994 7.502 1.00 1.00 H new ATOM 0 HA3 GLY A 16 21.829 10.609 7.612 1.00 1.00 H new ATOM 78 N GLY A 17 22.250 12.265 4.879 1.00 1.00 N ATOM 79 CA GLY A 17 23.255 13.013 4.073 1.00 1.00 C ATOM 80 C GLY A 17 23.271 14.477 4.516 1.00 1.00 C ATOM 81 O GLY A 17 22.611 14.856 5.463 1.00 1.00 O ATOM 0 H GLY A 17 21.438 11.933 4.359 1.00 1.00 H new ATOM 0 HA2 GLY A 17 24.243 12.571 4.202 1.00 1.00 H new ATOM 0 HA3 GLY A 17 23.011 12.945 3.013 1.00 1.00 H new ATOM 82 N THR A 18 24.019 15.306 3.840 1.00 1.00 N ATOM 83 CA THR A 18 24.072 16.744 4.227 1.00 1.00 C ATOM 84 C THR A 18 23.687 17.611 3.028 1.00 1.00 C ATOM 85 O THR A 18 24.138 17.392 1.921 1.00 1.00 O ATOM 86 CB THR A 18 25.487 17.099 4.678 1.00 1.00 C ATOM 87 OG1 THR A 18 25.796 16.427 5.882 1.00 1.00 O ATOM 88 CG2 THR A 18 25.552 18.609 4.888 1.00 1.00 C ATOM 0 H THR A 18 24.595 15.050 3.038 1.00 1.00 H new ATOM 0 HA THR A 18 23.374 16.925 5.044 1.00 1.00 H new ATOM 0 HB THR A 18 26.211 16.793 3.923 1.00 1.00 H new ATOM 0 HG1 THR A 18 26.706 16.660 6.162 1.00 1.00 H new ATOM 0 HG21 THR A 18 26.555 18.889 5.211 1.00 1.00 H new ATOM 0 HG22 THR A 18 25.317 19.117 3.953 1.00 1.00 H new ATOM 0 HG23 THR A 18 24.830 18.902 5.651 1.00 1.00 H new ATOM 89 N CYS A 19 22.859 18.598 3.240 1.00 1.00 N ATOM 90 CA CYS A 19 22.449 19.481 2.113 1.00 1.00 C ATOM 91 C CYS A 19 23.283 20.763 2.145 1.00 1.00 C ATOM 92 O CYS A 19 23.548 21.317 3.193 1.00 1.00 O ATOM 93 CB CYS A 19 20.967 19.835 2.254 1.00 1.00 C ATOM 94 SG CYS A 19 20.485 20.952 0.914 1.00 1.00 S ATOM 0 H CYS A 19 22.449 18.830 4.145 1.00 1.00 H new ATOM 0 HA CYS A 19 22.610 18.963 1.168 1.00 1.00 H new ATOM 0 HB2 CYS A 19 20.361 18.929 2.223 1.00 1.00 H new ATOM 0 HB3 CYS A 19 20.785 20.307 3.219 1.00 1.00 H new ATOM 95 N VAL A 20 23.702 21.240 1.004 1.00 1.00 N ATOM 96 CA VAL A 20 24.521 22.485 0.974 1.00 1.00 C ATOM 97 C VAL A 20 23.829 23.533 0.099 1.00 1.00 C ATOM 98 O VAL A 20 22.654 23.431 -0.196 1.00 1.00 O ATOM 99 CB VAL A 20 25.903 22.171 0.398 1.00 1.00 C ATOM 100 CG1 VAL A 20 26.481 20.939 1.098 1.00 1.00 C ATOM 101 CG2 VAL A 20 25.777 21.891 -1.102 1.00 1.00 C ATOM 0 H VAL A 20 23.513 20.822 0.093 1.00 1.00 H new ATOM 0 HA VAL A 20 24.628 22.873 1.987 1.00 1.00 H new ATOM 0 HB VAL A 20 26.565 23.023 0.557 1.00 1.00 H new ATOM 0 HG11 VAL A 20 27.466 20.716 0.687 1.00 1.00 H new ATOM 0 HG12 VAL A 20 26.570 21.136 2.166 1.00 1.00 H new ATOM 0 HG13 VAL A 20 25.820 20.087 0.940 1.00 1.00 H new ATOM 0 HG21 VAL A 20 26.761 21.667 -1.514 1.00 1.00 H new ATOM 0 HG22 VAL A 20 25.115 21.039 -1.259 1.00 1.00 H new ATOM 0 HG23 VAL A 20 25.365 22.767 -1.602 1.00 1.00 H new ATOM 102 N SER A 21 24.548 24.540 -0.317 1.00 1.00 N ATOM 103 CA SER A 21 23.934 25.596 -1.171 1.00 1.00 C ATOM 104 C SER A 21 24.903 26.773 -1.297 1.00 1.00 C ATOM 105 O SER A 21 25.305 27.364 -0.315 1.00 1.00 O ATOM 106 CB SER A 21 22.631 26.077 -0.532 1.00 1.00 C ATOM 107 OG SER A 21 22.847 26.313 0.853 1.00 1.00 O ATOM 0 H SER A 21 25.536 24.677 -0.102 1.00 1.00 H new ATOM 0 HA SER A 21 23.724 25.187 -2.159 1.00 1.00 H new ATOM 0 HB2 SER A 21 22.289 26.990 -1.019 1.00 1.00 H new ATOM 0 HB3 SER A 21 21.848 25.331 -0.668 1.00 1.00 H new ATOM 0 HG SER A 21 23.676 26.822 0.973 1.00 1.00 H new ATOM 108 N ASN A 22 25.284 27.119 -2.497 1.00 1.00 N ATOM 109 CA ASN A 22 26.226 28.255 -2.678 1.00 1.00 C ATOM 110 C ASN A 22 25.452 29.491 -3.144 1.00 1.00 C ATOM 111 O ASN A 22 24.261 29.438 -3.374 1.00 1.00 O ATOM 112 CB ASN A 22 27.272 27.879 -3.724 1.00 1.00 C ATOM 113 CG ASN A 22 28.662 28.267 -3.218 1.00 1.00 C ATOM 114 OD1 ASN A 22 28.834 29.309 -2.617 1.00 1.00 O ATOM 115 ND2 ASN A 22 29.670 27.467 -3.436 1.00 1.00 N ATOM 0 H ASN A 22 24.983 26.663 -3.358 1.00 1.00 H new ATOM 0 HA ASN A 22 26.721 28.476 -1.732 1.00 1.00 H new ATOM 0 HB2 ASN A 22 27.232 26.808 -3.925 1.00 1.00 H new ATOM 0 HB3 ASN A 22 27.061 28.388 -4.664 1.00 1.00 H new ATOM 0 HD21 ASN A 22 30.601 27.717 -3.102 1.00 1.00 H new ATOM 0 HD22 ASN A 22 29.527 26.592 -3.940 1.00 1.00 H new ATOM 116 N LYS A 23 26.116 30.608 -3.266 1.00 1.00 N ATOM 117 CA LYS A 23 25.416 31.849 -3.693 1.00 1.00 C ATOM 118 C LYS A 23 26.388 32.771 -4.430 1.00 1.00 C ATOM 119 O LYS A 23 26.106 33.930 -4.660 1.00 1.00 O ATOM 120 CB LYS A 23 24.920 32.556 -2.447 1.00 1.00 C ATOM 121 CG LYS A 23 23.597 33.267 -2.740 1.00 1.00 C ATOM 122 CD LYS A 23 22.888 33.590 -1.423 1.00 1.00 C ATOM 123 CE LYS A 23 21.384 33.720 -1.670 1.00 1.00 C ATOM 124 NZ LYS A 23 21.119 34.929 -2.501 1.00 1.00 N ATOM 0 H LYS A 23 27.115 30.713 -3.088 1.00 1.00 H new ATOM 0 HA LYS A 23 24.589 31.600 -4.358 1.00 1.00 H new ATOM 0 HB2 LYS A 23 24.784 31.836 -1.640 1.00 1.00 H new ATOM 0 HB3 LYS A 23 25.663 33.278 -2.108 1.00 1.00 H new ATOM 0 HG2 LYS A 23 23.781 34.184 -3.300 1.00 1.00 H new ATOM 0 HG3 LYS A 23 22.962 32.635 -3.361 1.00 1.00 H new ATOM 0 HD2 LYS A 23 23.080 32.804 -0.692 1.00 1.00 H new ATOM 0 HD3 LYS A 23 23.280 34.517 -1.005 1.00 1.00 H new ATOM 0 HE2 LYS A 23 21.009 32.830 -2.175 1.00 1.00 H new ATOM 0 HE3 LYS A 23 20.854 33.795 -0.721 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 20.095 35.104 -2.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 21.595 35.752 -2.078 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 21.483 34.775 -3.463 1.00 1.00 H new ATOM 125 N TYR A 24 27.531 32.270 -4.788 1.00 1.00 N ATOM 126 CA TYR A 24 28.529 33.123 -5.496 1.00 1.00 C ATOM 127 C TYR A 24 28.377 32.955 -7.009 1.00 1.00 C ATOM 128 O TYR A 24 29.230 33.356 -7.775 1.00 1.00 O ATOM 129 CB TYR A 24 29.941 32.707 -5.079 1.00 1.00 C ATOM 130 CG TYR A 24 30.265 33.304 -3.730 1.00 1.00 C ATOM 131 CD1 TYR A 24 29.847 32.658 -2.559 1.00 1.00 C ATOM 132 CD2 TYR A 24 30.984 34.504 -3.649 1.00 1.00 C ATOM 133 CE1 TYR A 24 30.147 33.213 -1.307 1.00 1.00 C ATOM 134 CE2 TYR A 24 31.284 35.059 -2.398 1.00 1.00 C ATOM 135 CZ TYR A 24 30.866 34.413 -1.227 1.00 1.00 C ATOM 136 OH TYR A 24 31.161 34.959 0.005 1.00 1.00 O ATOM 0 H TYR A 24 27.822 31.306 -4.623 1.00 1.00 H new ATOM 0 HA TYR A 24 28.360 34.167 -5.231 1.00 1.00 H new ATOM 0 HB2 TYR A 24 30.013 31.620 -5.034 1.00 1.00 H new ATOM 0 HB3 TYR A 24 30.665 33.044 -5.821 1.00 1.00 H new ATOM 0 HD1 TYR A 24 29.294 31.733 -2.621 1.00 1.00 H new ATOM 0 HD2 TYR A 24 31.307 35.001 -4.552 1.00 1.00 H new ATOM 0 HE1 TYR A 24 29.824 32.716 -0.404 1.00 1.00 H new ATOM 0 HE2 TYR A 24 31.837 35.984 -2.336 1.00 1.00 H new ATOM 0 HH TYR A 24 31.665 35.790 -0.118 1.00 1.00 H new ATOM 137 N PHE A 25 27.297 32.370 -7.448 1.00 1.00 N ATOM 138 CA PHE A 25 27.096 32.187 -8.914 1.00 1.00 C ATOM 139 C PHE A 25 25.612 32.324 -9.244 1.00 1.00 C ATOM 140 O PHE A 25 25.163 31.957 -10.311 1.00 1.00 O ATOM 141 CB PHE A 25 27.586 30.799 -9.337 1.00 1.00 C ATOM 142 CG PHE A 25 28.701 30.345 -8.425 1.00 1.00 C ATOM 143 CD1 PHE A 25 28.419 29.984 -7.102 1.00 1.00 C ATOM 144 CD2 PHE A 25 30.017 30.279 -8.905 1.00 1.00 C ATOM 145 CE1 PHE A 25 29.451 29.557 -6.257 1.00 1.00 C ATOM 146 CE2 PHE A 25 31.049 29.852 -8.059 1.00 1.00 C ATOM 147 CZ PHE A 25 30.766 29.491 -6.735 1.00 1.00 C ATOM 0 H PHE A 25 26.547 32.011 -6.857 1.00 1.00 H new ATOM 0 HA PHE A 25 27.663 32.947 -9.452 1.00 1.00 H new ATOM 0 HB2 PHE A 25 26.762 30.086 -9.300 1.00 1.00 H new ATOM 0 HB3 PHE A 25 27.937 30.827 -10.368 1.00 1.00 H new ATOM 0 HD1 PHE A 25 27.405 30.035 -6.733 1.00 1.00 H new ATOM 0 HD2 PHE A 25 30.235 30.557 -9.926 1.00 1.00 H new ATOM 0 HE1 PHE A 25 29.233 29.279 -5.237 1.00 1.00 H new ATOM 0 HE2 PHE A 25 32.063 29.801 -8.427 1.00 1.00 H new ATOM 0 HZ PHE A 25 31.562 29.162 -6.083 1.00 1.00 H new ATOM 148 N SER A 26 24.851 32.853 -8.331 1.00 1.00 N ATOM 149 CA SER A 26 23.390 33.026 -8.573 1.00 1.00 C ATOM 150 C SER A 26 22.662 31.687 -8.394 1.00 1.00 C ATOM 151 O SER A 26 21.448 31.635 -8.385 1.00 1.00 O ATOM 152 CB SER A 26 23.166 33.541 -9.995 1.00 1.00 C ATOM 153 OG SER A 26 22.362 34.713 -9.948 1.00 1.00 O ATOM 0 H SER A 26 25.178 33.176 -7.420 1.00 1.00 H new ATOM 0 HA SER A 26 22.994 33.744 -7.855 1.00 1.00 H new ATOM 0 HB2 SER A 26 24.122 33.761 -10.470 1.00 1.00 H new ATOM 0 HB3 SER A 26 22.679 32.776 -10.599 1.00 1.00 H new ATOM 0 HG SER A 26 22.218 35.047 -10.858 1.00 1.00 H new ATOM 154 N ASN A 27 23.384 30.604 -8.253 1.00 1.00 N ATOM 155 CA ASN A 27 22.714 29.282 -8.078 1.00 1.00 C ATOM 156 C ASN A 27 23.745 28.155 -8.197 1.00 1.00 C ATOM 157 O ASN A 27 24.087 27.727 -9.282 1.00 1.00 O ATOM 158 CB ASN A 27 21.645 29.102 -9.160 1.00 1.00 C ATOM 159 CG ASN A 27 22.223 29.488 -10.523 1.00 1.00 C ATOM 160 OD1 ASN A 27 22.885 30.499 -10.653 1.00 1.00 O ATOM 161 ND2 ASN A 27 21.999 28.720 -11.554 1.00 1.00 N ATOM 0 H ASN A 27 24.404 30.579 -8.252 1.00 1.00 H new ATOM 0 HA ASN A 27 22.250 29.246 -7.092 1.00 1.00 H new ATOM 0 HB2 ASN A 27 21.303 28.067 -9.179 1.00 1.00 H new ATOM 0 HB3 ASN A 27 20.777 29.721 -8.934 1.00 1.00 H new ATOM 0 HD21 ASN A 27 22.379 28.968 -12.467 1.00 1.00 H new ATOM 0 HD22 ASN A 27 21.444 27.871 -11.447 1.00 1.00 H new ATOM 162 N ILE A 28 24.236 27.665 -7.091 1.00 1.00 N ATOM 163 CA ILE A 28 25.236 26.560 -7.141 1.00 1.00 C ATOM 164 C ILE A 28 25.019 25.630 -5.943 1.00 1.00 C ATOM 165 O ILE A 28 25.744 25.676 -4.969 1.00 1.00 O ATOM 166 CB ILE A 28 26.653 27.146 -7.103 1.00 1.00 C ATOM 167 CG1 ILE A 28 27.016 27.663 -8.492 1.00 1.00 C ATOM 168 CG2 ILE A 28 27.658 26.068 -6.687 1.00 1.00 C ATOM 169 CD1 ILE A 28 27.043 26.498 -9.482 1.00 1.00 C ATOM 0 H ILE A 28 23.988 27.982 -6.154 1.00 1.00 H new ATOM 0 HA ILE A 28 25.113 25.993 -8.064 1.00 1.00 H new ATOM 0 HB ILE A 28 26.685 27.961 -6.380 1.00 1.00 H new ATOM 0 HG12 ILE A 28 26.291 28.410 -8.814 1.00 1.00 H new ATOM 0 HG13 ILE A 28 27.989 28.154 -8.466 1.00 1.00 H new ATOM 0 HG21 ILE A 28 28.661 26.495 -6.663 1.00 1.00 H new ATOM 0 HG22 ILE A 28 27.400 25.693 -5.697 1.00 1.00 H new ATOM 0 HG23 ILE A 28 27.630 25.248 -7.404 1.00 1.00 H new ATOM 0 HD11 ILE A 28 27.302 26.869 -10.474 1.00 1.00 H new ATOM 0 HD12 ILE A 28 27.785 25.766 -9.163 1.00 1.00 H new ATOM 0 HD13 ILE A 28 26.061 26.027 -9.516 1.00 1.00 H new ATOM 170 N HIS A 29 24.024 24.787 -6.008 1.00 1.00 N ATOM 171 CA HIS A 29 23.757 23.857 -4.874 1.00 1.00 C ATOM 172 C HIS A 29 24.174 22.437 -5.267 1.00 1.00 C ATOM 173 O HIS A 29 24.488 22.166 -6.409 1.00 1.00 O ATOM 174 CB HIS A 29 22.264 23.874 -4.541 1.00 1.00 C ATOM 175 CG HIS A 29 21.786 25.298 -4.443 1.00 1.00 C ATOM 176 ND1 HIS A 29 21.760 26.146 -5.539 1.00 1.00 N ATOM 177 CD2 HIS A 29 21.313 26.036 -3.386 1.00 1.00 C ATOM 178 CE1 HIS A 29 21.287 27.334 -5.120 1.00 1.00 C ATOM 179 NE2 HIS A 29 20.999 27.321 -3.816 1.00 1.00 N ATOM 0 H HIS A 29 23.384 24.702 -6.798 1.00 1.00 H new ATOM 0 HA HIS A 29 24.329 24.176 -4.002 1.00 1.00 H new ATOM 0 HB2 HIS A 29 21.703 23.343 -5.310 1.00 1.00 H new ATOM 0 HB3 HIS A 29 22.085 23.354 -3.600 1.00 1.00 H new ATOM 0 HD2 HIS A 29 21.202 25.674 -2.375 1.00 1.00 H new ATOM 0 HE1 HIS A 29 21.156 28.194 -5.760 1.00 1.00 H new ATOM 0 HE2 HIS A 29 20.628 28.089 -3.256 1.00 1.00 H new ATOM 180 N TRP A 30 24.178 21.529 -4.329 1.00 1.00 N ATOM 181 CA TRP A 30 24.574 20.128 -4.649 1.00 1.00 C ATOM 182 C TRP A 30 24.508 19.275 -3.378 1.00 1.00 C ATOM 183 O TRP A 30 25.132 19.581 -2.381 1.00 1.00 O ATOM 184 CB TRP A 30 26.001 20.119 -5.207 1.00 1.00 C ATOM 185 CG TRP A 30 26.979 20.356 -4.102 1.00 1.00 C ATOM 186 CD1 TRP A 30 27.586 19.391 -3.373 1.00 1.00 C ATOM 187 CD2 TRP A 30 27.471 21.623 -3.595 1.00 1.00 C ATOM 188 NE1 TRP A 30 28.419 19.992 -2.445 1.00 1.00 N ATOM 189 CE2 TRP A 30 28.382 21.369 -2.544 1.00 1.00 C ATOM 190 CE3 TRP A 30 27.211 22.955 -3.946 1.00 1.00 C ATOM 191 CZ2 TRP A 30 29.016 22.409 -1.862 1.00 1.00 C ATOM 192 CZ3 TRP A 30 27.846 24.008 -3.264 1.00 1.00 C ATOM 193 CH2 TRP A 30 28.747 23.734 -2.223 1.00 1.00 C ATOM 0 H TRP A 30 23.924 21.697 -3.355 1.00 1.00 H new ATOM 0 HA TRP A 30 23.893 19.715 -5.393 1.00 1.00 H new ATOM 0 HB2 TRP A 30 26.207 19.163 -5.688 1.00 1.00 H new ATOM 0 HB3 TRP A 30 26.107 20.890 -5.971 1.00 1.00 H new ATOM 0 HD1 TRP A 30 27.444 18.327 -3.495 1.00 1.00 H new ATOM 0 HE1 TRP A 30 28.990 19.481 -1.771 1.00 1.00 H new ATOM 0 HE3 TRP A 30 26.519 23.174 -4.745 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 29.709 22.193 -1.062 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 27.640 25.031 -3.542 1.00 1.00 H new ATOM 0 HH2 TRP A 30 29.232 24.545 -1.701 1.00 1.00 H new ATOM 194 N CYS A 31 23.758 18.206 -3.406 1.00 1.00 N ATOM 195 CA CYS A 31 23.656 17.337 -2.199 1.00 1.00 C ATOM 196 C CYS A 31 25.058 17.073 -1.645 1.00 1.00 C ATOM 197 O CYS A 31 26.050 17.328 -2.297 1.00 1.00 O ATOM 198 CB CYS A 31 22.999 16.009 -2.579 1.00 1.00 C ATOM 199 SG CYS A 31 24.213 14.673 -2.440 1.00 1.00 S ATOM 0 H CYS A 31 23.213 17.898 -4.211 1.00 1.00 H new ATOM 0 HA CYS A 31 23.052 17.835 -1.441 1.00 1.00 H new ATOM 0 HB2 CYS A 31 22.149 15.812 -1.926 1.00 1.00 H new ATOM 0 HB3 CYS A 31 22.614 16.060 -3.597 1.00 1.00 H new ATOM 200 N ASN A 32 25.149 16.565 -0.447 1.00 1.00 N ATOM 201 CA ASN A 32 26.490 16.288 0.140 1.00 1.00 C ATOM 202 C ASN A 32 26.424 15.028 1.005 1.00 1.00 C ATOM 203 O ASN A 32 26.647 15.071 2.198 1.00 1.00 O ATOM 204 CB ASN A 32 26.925 17.475 1.002 1.00 1.00 C ATOM 205 CG ASN A 32 28.409 17.339 1.345 1.00 1.00 C ATOM 206 OD1 ASN A 32 28.766 17.157 2.492 1.00 1.00 O ATOM 207 ND2 ASN A 32 29.296 17.420 0.391 1.00 1.00 N ATOM 0 H ASN A 32 24.355 16.330 0.149 1.00 1.00 H new ATOM 0 HA ASN A 32 27.211 16.137 -0.664 1.00 1.00 H new ATOM 0 HB2 ASN A 32 26.748 18.409 0.469 1.00 1.00 H new ATOM 0 HB3 ASN A 32 26.331 17.512 1.916 1.00 1.00 H new ATOM 0 HD21 ASN A 32 30.289 17.330 0.608 1.00 1.00 H new ATOM 0 HD22 ASN A 32 28.997 17.573 -0.572 1.00 1.00 H new ATOM 208 N CYS A 33 26.123 13.904 0.413 1.00 1.00 N ATOM 209 CA CYS A 33 26.048 12.645 1.206 1.00 1.00 C ATOM 210 C CYS A 33 27.417 11.959 1.198 1.00 1.00 C ATOM 211 O CYS A 33 28.152 12.058 0.235 1.00 1.00 O ATOM 212 CB CYS A 33 25.004 11.712 0.588 1.00 1.00 C ATOM 213 SG CYS A 33 25.092 11.815 -1.217 1.00 1.00 S ATOM 0 H CYS A 33 25.926 13.804 -0.583 1.00 1.00 H new ATOM 0 HA CYS A 33 25.762 12.877 2.232 1.00 1.00 H new ATOM 0 HB2 CYS A 33 25.180 10.687 0.913 1.00 1.00 H new ATOM 0 HB3 CYS A 33 24.007 11.988 0.930 1.00 1.00 H new ATOM 214 N PRO A 34 27.721 11.281 2.277 1.00 1.00 N ATOM 215 CA PRO A 34 28.988 10.577 2.414 1.00 1.00 C ATOM 216 C PRO A 34 29.248 9.709 1.180 1.00 1.00 C ATOM 217 O PRO A 34 28.348 9.402 0.424 1.00 1.00 O ATOM 218 CB PRO A 34 28.811 9.711 3.656 1.00 1.00 C ATOM 219 CG PRO A 34 27.726 10.474 4.480 1.00 1.00 C ATOM 220 CD PRO A 34 26.815 11.173 3.431 1.00 1.00 C ATOM 0 HA PRO A 34 29.837 11.255 2.503 1.00 1.00 H new ATOM 0 HB2 PRO A 34 28.485 8.703 3.399 1.00 1.00 H new ATOM 0 HB3 PRO A 34 29.743 9.613 4.213 1.00 1.00 H new ATOM 0 HG2 PRO A 34 27.152 9.787 5.102 1.00 1.00 H new ATOM 0 HG3 PRO A 34 28.183 11.203 5.149 1.00 1.00 H new ATOM 0 HD2 PRO A 34 25.928 10.583 3.201 1.00 1.00 H new ATOM 0 HD3 PRO A 34 26.470 12.148 3.773 1.00 1.00 H new ATOM 221 N LYS A 35 30.473 9.311 0.971 1.00 1.00 N ATOM 222 CA LYS A 35 30.788 8.463 -0.212 1.00 1.00 C ATOM 223 C LYS A 35 30.141 7.089 -0.038 1.00 1.00 C ATOM 224 O LYS A 35 29.932 6.365 -0.991 1.00 1.00 O ATOM 225 CB LYS A 35 32.305 8.302 -0.336 1.00 1.00 C ATOM 226 CG LYS A 35 32.881 7.842 1.005 1.00 1.00 C ATOM 227 CD LYS A 35 33.519 6.461 0.839 1.00 1.00 C ATOM 228 CE LYS A 35 33.179 5.592 2.051 1.00 1.00 C ATOM 229 NZ LYS A 35 34.262 5.713 3.068 1.00 1.00 N ATOM 0 H LYS A 35 31.269 9.536 1.568 1.00 1.00 H new ATOM 0 HA LYS A 35 30.400 8.937 -1.114 1.00 1.00 H new ATOM 0 HB2 LYS A 35 32.542 7.576 -1.114 1.00 1.00 H new ATOM 0 HB3 LYS A 35 32.759 9.247 -0.634 1.00 1.00 H new ATOM 0 HG2 LYS A 35 33.624 8.557 1.359 1.00 1.00 H new ATOM 0 HG3 LYS A 35 32.093 7.802 1.757 1.00 1.00 H new ATOM 0 HD2 LYS A 35 33.156 5.988 -0.074 1.00 1.00 H new ATOM 0 HD3 LYS A 35 34.600 6.558 0.740 1.00 1.00 H new ATOM 0 HE2 LYS A 35 32.226 5.903 2.480 1.00 1.00 H new ATOM 0 HE3 LYS A 35 33.066 4.552 1.746 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 34.032 5.122 3.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 35.162 5.396 2.656 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 34.349 6.705 3.367 1.00 1.00 H new ATOM 230 N LYS A 36 29.819 6.724 1.173 1.00 1.00 N ATOM 231 CA LYS A 36 29.182 5.398 1.407 1.00 1.00 C ATOM 232 C LYS A 36 27.715 5.459 0.980 1.00 1.00 C ATOM 233 O LYS A 36 27.056 4.449 0.840 1.00 1.00 O ATOM 234 CB LYS A 36 29.267 5.046 2.894 1.00 1.00 C ATOM 235 CG LYS A 36 28.813 6.244 3.729 1.00 1.00 C ATOM 236 CD LYS A 36 28.260 5.753 5.068 1.00 1.00 C ATOM 237 CE LYS A 36 27.880 6.955 5.935 1.00 1.00 C ATOM 238 NZ LYS A 36 27.911 6.559 7.372 1.00 1.00 N ATOM 0 H LYS A 36 29.970 7.287 2.010 1.00 1.00 H new ATOM 0 HA LYS A 36 29.700 4.636 0.825 1.00 1.00 H new ATOM 0 HB2 LYS A 36 28.641 4.180 3.110 1.00 1.00 H new ATOM 0 HB3 LYS A 36 30.289 4.773 3.156 1.00 1.00 H new ATOM 0 HG2 LYS A 36 29.650 6.922 3.896 1.00 1.00 H new ATOM 0 HG3 LYS A 36 28.049 6.806 3.192 1.00 1.00 H new ATOM 0 HD2 LYS A 36 27.388 5.120 4.903 1.00 1.00 H new ATOM 0 HD3 LYS A 36 29.005 5.143 5.579 1.00 1.00 H new ATOM 0 HE2 LYS A 36 28.572 7.778 5.758 1.00 1.00 H new ATOM 0 HE3 LYS A 36 26.886 7.311 5.666 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 27.653 7.375 7.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 27.234 5.786 7.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 28.868 6.239 7.623 1.00 1.00 H new ATOM 239 N PHE A 37 27.200 6.639 0.769 1.00 1.00 N ATOM 240 CA PHE A 37 25.776 6.770 0.349 1.00 1.00 C ATOM 241 C PHE A 37 25.707 6.897 -1.174 1.00 1.00 C ATOM 242 O PHE A 37 26.591 7.446 -1.801 1.00 1.00 O ATOM 243 CB PHE A 37 25.167 8.022 0.989 1.00 1.00 C ATOM 244 CG PHE A 37 24.907 7.785 2.463 1.00 1.00 C ATOM 245 CD1 PHE A 37 25.277 6.573 3.067 1.00 1.00 C ATOM 246 CD2 PHE A 37 24.292 8.786 3.227 1.00 1.00 C ATOM 247 CE1 PHE A 37 25.031 6.365 4.430 1.00 1.00 C ATOM 248 CE2 PHE A 37 24.047 8.577 4.591 1.00 1.00 C ATOM 249 CZ PHE A 37 24.417 7.367 5.192 1.00 1.00 C ATOM 0 H PHE A 37 27.705 7.520 0.869 1.00 1.00 H new ATOM 0 HA PHE A 37 25.220 5.889 0.670 1.00 1.00 H new ATOM 0 HB2 PHE A 37 25.842 8.868 0.863 1.00 1.00 H new ATOM 0 HB3 PHE A 37 24.235 8.280 0.485 1.00 1.00 H new ATOM 0 HD1 PHE A 37 25.752 5.800 2.480 1.00 1.00 H new ATOM 0 HD2 PHE A 37 24.007 9.719 2.764 1.00 1.00 H new ATOM 0 HE1 PHE A 37 25.315 5.432 4.894 1.00 1.00 H new ATOM 0 HE2 PHE A 37 23.573 9.349 5.179 1.00 1.00 H new ATOM 0 HZ PHE A 37 24.229 7.207 6.243 1.00 1.00 H new ATOM 250 N GLY A 38 24.663 6.396 -1.776 1.00 1.00 N ATOM 251 CA GLY A 38 24.541 6.493 -3.258 1.00 1.00 C ATOM 252 C GLY A 38 23.221 5.867 -3.707 1.00 1.00 C ATOM 253 O GLY A 38 22.759 4.902 -3.138 1.00 1.00 O ATOM 0 H GLY A 38 23.890 5.924 -1.306 1.00 1.00 H new ATOM 0 HA2 GLY A 38 24.584 7.537 -3.569 1.00 1.00 H new ATOM 0 HA3 GLY A 38 25.378 5.983 -3.736 1.00 1.00 H new ATOM 254 N GLY A 39 22.614 6.411 -4.726 1.00 1.00 N ATOM 255 CA GLY A 39 21.324 5.852 -5.220 1.00 1.00 C ATOM 256 C GLY A 39 20.314 6.980 -5.401 1.00 1.00 C ATOM 257 O GLY A 39 19.799 7.516 -4.441 1.00 1.00 O ATOM 0 H GLY A 39 22.958 7.222 -5.240 1.00 1.00 H new ATOM 0 HA2 GLY A 39 21.479 5.334 -6.166 1.00 1.00 H new ATOM 0 HA3 GLY A 39 20.940 5.116 -4.513 1.00 1.00 H new ATOM 258 N GLN A 40 20.029 7.337 -6.629 1.00 1.00 N ATOM 259 CA GLN A 40 19.050 8.430 -6.895 1.00 1.00 C ATOM 260 C GLN A 40 19.324 9.605 -5.958 1.00 1.00 C ATOM 261 O GLN A 40 20.080 10.504 -6.272 1.00 1.00 O ATOM 262 CB GLN A 40 17.629 7.911 -6.658 1.00 1.00 C ATOM 263 CG GLN A 40 17.103 7.256 -7.937 1.00 1.00 C ATOM 264 CD GLN A 40 16.643 5.830 -7.629 1.00 1.00 C ATOM 265 OE1 GLN A 40 15.921 5.605 -6.678 1.00 1.00 O ATOM 266 NE2 GLN A 40 17.034 4.851 -8.397 1.00 1.00 N ATOM 0 H GLN A 40 20.437 6.914 -7.463 1.00 1.00 H new ATOM 0 HA GLN A 40 19.151 8.761 -7.929 1.00 1.00 H new ATOM 0 HB2 GLN A 40 17.626 7.190 -5.840 1.00 1.00 H new ATOM 0 HB3 GLN A 40 16.976 8.732 -6.362 1.00 1.00 H new ATOM 0 HG2 GLN A 40 16.274 7.837 -8.341 1.00 1.00 H new ATOM 0 HG3 GLN A 40 17.883 7.241 -8.698 1.00 1.00 H new ATOM 0 HE21 GLN A 40 17.640 5.040 -9.195 1.00 1.00 H new ATOM 0 HE22 GLN A 40 16.734 3.896 -8.199 1.00 1.00 H new ATOM 267 N HIS A 41 18.722 9.596 -4.805 1.00 1.00 N ATOM 268 CA HIS A 41 18.948 10.699 -3.833 1.00 1.00 C ATOM 269 C HIS A 41 19.829 10.181 -2.698 1.00 1.00 C ATOM 270 O HIS A 41 19.534 10.367 -1.535 1.00 1.00 O ATOM 271 CB HIS A 41 17.606 11.167 -3.267 1.00 1.00 C ATOM 272 CG HIS A 41 17.173 12.422 -3.975 1.00 1.00 C ATOM 273 ND1 HIS A 41 16.674 12.407 -5.268 1.00 1.00 N ATOM 274 CD2 HIS A 41 17.157 13.737 -3.582 1.00 1.00 C ATOM 275 CE1 HIS A 41 16.382 13.676 -5.605 1.00 1.00 C ATOM 276 NE2 HIS A 41 16.657 14.528 -4.613 1.00 1.00 N ATOM 0 H HIS A 41 18.079 8.868 -4.492 1.00 1.00 H new ATOM 0 HA HIS A 41 19.437 11.537 -4.330 1.00 1.00 H new ATOM 0 HB2 HIS A 41 16.854 10.388 -3.393 1.00 1.00 H new ATOM 0 HB3 HIS A 41 17.696 11.353 -2.197 1.00 1.00 H new ATOM 0 HD2 HIS A 41 17.483 14.103 -2.619 1.00 1.00 H new ATOM 0 HE1 HIS A 41 15.975 13.970 -6.561 1.00 1.00 H new ATOM 0 HE2 HIS A 41 16.528 15.540 -4.611 1.00 1.00 H new ATOM 277 N CYS A 42 20.905 9.522 -3.027 1.00 1.00 N ATOM 278 CA CYS A 42 21.800 8.984 -1.966 1.00 1.00 C ATOM 279 C CYS A 42 20.950 8.282 -0.908 1.00 1.00 C ATOM 280 O CYS A 42 20.904 8.690 0.236 1.00 1.00 O ATOM 281 CB CYS A 42 22.577 10.134 -1.321 1.00 1.00 C ATOM 282 SG CYS A 42 24.306 10.066 -1.852 1.00 1.00 S ATOM 0 H CYS A 42 21.203 9.333 -3.984 1.00 1.00 H new ATOM 0 HA CYS A 42 22.505 8.275 -2.401 1.00 1.00 H new ATOM 0 HB2 CYS A 42 22.136 11.089 -1.605 1.00 1.00 H new ATOM 0 HB3 CYS A 42 22.516 10.064 -0.235 1.00 1.00 H new ATOM 283 N GLU A 43 20.267 7.234 -1.284 1.00 1.00 N ATOM 284 CA GLU A 43 19.412 6.513 -0.299 1.00 1.00 C ATOM 285 C GLU A 43 19.920 5.081 -0.111 1.00 1.00 C ATOM 286 O GLU A 43 19.305 4.281 0.566 1.00 1.00 O ATOM 287 CB GLU A 43 17.969 6.479 -0.806 1.00 1.00 C ATOM 288 CG GLU A 43 17.875 5.551 -2.019 1.00 1.00 C ATOM 289 CD GLU A 43 17.162 4.258 -1.619 1.00 1.00 C ATOM 290 OE1 GLU A 43 15.942 4.257 -1.604 1.00 1.00 O ATOM 291 OE2 GLU A 43 17.848 3.290 -1.334 1.00 1.00 O ATOM 0 H GLU A 43 20.264 6.847 -2.228 1.00 1.00 H new ATOM 0 HA GLU A 43 19.453 7.034 0.657 1.00 1.00 H new ATOM 0 HB2 GLU A 43 17.303 6.131 -0.016 1.00 1.00 H new ATOM 0 HB3 GLU A 43 17.644 7.483 -1.077 1.00 1.00 H new ATOM 0 HG2 GLU A 43 17.332 6.044 -2.826 1.00 1.00 H new ATOM 0 HG3 GLU A 43 18.873 5.327 -2.397 1.00 1.00 H new ATOM 292 N ILE A 44 21.036 4.746 -0.699 1.00 1.00 N ATOM 293 CA ILE A 44 21.569 3.362 -0.540 1.00 1.00 C ATOM 294 C ILE A 44 22.877 3.404 0.252 1.00 1.00 C ATOM 295 O ILE A 44 23.645 4.341 0.153 1.00 1.00 O ATOM 296 CB ILE A 44 21.826 2.749 -1.917 1.00 1.00 C ATOM 297 CG1 ILE A 44 20.790 3.278 -2.912 1.00 1.00 C ATOM 298 CG2 ILE A 44 21.713 1.226 -1.826 1.00 1.00 C ATOM 299 CD1 ILE A 44 21.162 2.829 -4.326 1.00 1.00 C ATOM 0 H ILE A 44 21.600 5.367 -1.280 1.00 1.00 H new ATOM 0 HA ILE A 44 20.840 2.755 -0.004 1.00 1.00 H new ATOM 0 HB ILE A 44 22.826 3.020 -2.255 1.00 1.00 H new ATOM 0 HG12 ILE A 44 19.798 2.908 -2.651 1.00 1.00 H new ATOM 0 HG13 ILE A 44 20.747 4.366 -2.864 1.00 1.00 H new ATOM 0 HG21 ILE A 44 21.896 0.788 -2.807 1.00 1.00 H new ATOM 0 HG22 ILE A 44 22.450 0.848 -1.117 1.00 1.00 H new ATOM 0 HG23 ILE A 44 20.713 0.955 -1.489 1.00 1.00 H new ATOM 0 HD11 ILE A 44 20.424 3.206 -5.034 1.00 1.00 H new ATOM 0 HD12 ILE A 44 22.146 3.220 -4.585 1.00 1.00 H new ATOM 0 HD13 ILE A 44 21.182 1.740 -4.369 1.00 1.00 H new ATOM 300 N ASP A 45 23.137 2.396 1.039 1.00 1.00 N ATOM 301 CA ASP A 45 24.395 2.378 1.837 1.00 1.00 C ATOM 302 C ASP A 45 25.385 1.397 1.205 1.00 1.00 C ATOM 303 O ASP A 45 25.444 0.239 1.569 1.00 1.00 O ATOM 304 CB ASP A 45 24.083 1.940 3.269 1.00 1.00 C ATOM 305 CG ASP A 45 22.742 2.535 3.704 1.00 1.00 C ATOM 306 OD1 ASP A 45 21.729 1.898 3.468 1.00 1.00 O ATOM 307 OD2 ASP A 45 22.752 3.618 4.266 1.00 1.00 O ATOM 0 H ASP A 45 22.532 1.584 1.164 1.00 1.00 H new ATOM 0 HA ASP A 45 24.833 3.376 1.851 1.00 1.00 H new ATOM 0 HB2 ASP A 45 24.047 0.852 3.328 1.00 1.00 H new ATOM 0 HB3 ASP A 45 24.875 2.269 3.942 1.00 1.00 H new ATOM 308 N LYS A 46 26.162 1.851 0.261 1.00 1.00 N ATOM 309 CA LYS A 46 27.148 0.947 -0.395 1.00 1.00 C ATOM 310 C LYS A 46 28.023 0.284 0.672 1.00 1.00 C ATOM 311 O LYS A 46 28.648 -0.730 0.432 1.00 1.00 O ATOM 312 CB LYS A 46 28.031 1.758 -1.345 1.00 1.00 C ATOM 313 CG LYS A 46 27.148 2.542 -2.319 1.00 1.00 C ATOM 314 CD LYS A 46 27.789 3.900 -2.610 1.00 1.00 C ATOM 315 CE LYS A 46 27.402 4.358 -4.017 1.00 1.00 C ATOM 316 NZ LYS A 46 28.283 3.691 -5.016 1.00 1.00 N ATOM 0 H LYS A 46 26.157 2.811 -0.085 1.00 1.00 H new ATOM 0 HA LYS A 46 26.617 0.179 -0.958 1.00 1.00 H new ATOM 0 HB2 LYS A 46 28.661 2.443 -0.777 1.00 1.00 H new ATOM 0 HB3 LYS A 46 28.697 1.094 -1.896 1.00 1.00 H new ATOM 0 HG2 LYS A 46 27.023 1.981 -3.245 1.00 1.00 H new ATOM 0 HG3 LYS A 46 26.154 2.681 -1.894 1.00 1.00 H new ATOM 0 HD2 LYS A 46 27.460 4.634 -1.874 1.00 1.00 H new ATOM 0 HD3 LYS A 46 28.873 3.827 -2.525 1.00 1.00 H new ATOM 0 HE2 LYS A 46 26.358 4.114 -4.216 1.00 1.00 H new ATOM 0 HE3 LYS A 46 27.497 5.441 -4.098 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 28.020 4.002 -5.973 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 29.274 3.945 -4.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 28.171 2.660 -4.944 1.00 1.00 H new ATOM 370 N ASN A 54 19.352 -13.823 -2.392 1.00 1.00 N ATOM 371 CA ASN A 54 17.980 -13.283 -2.186 1.00 1.00 C ATOM 372 C ASN A 54 17.562 -13.493 -0.729 1.00 1.00 C ATOM 373 O ASN A 54 16.932 -14.475 -0.388 1.00 1.00 O ATOM 374 CB ASN A 54 17.001 -14.011 -3.109 1.00 1.00 C ATOM 375 CG ASN A 54 17.001 -15.505 -2.779 1.00 1.00 C ATOM 376 OD1 ASN A 54 17.897 -16.226 -3.171 1.00 1.00 O ATOM 377 ND2 ASN A 54 16.026 -16.004 -2.069 1.00 1.00 N ATOM 0 HA ASN A 54 17.971 -12.218 -2.416 1.00 1.00 H new ATOM 0 HB2 ASN A 54 15.998 -13.601 -2.988 1.00 1.00 H new ATOM 0 HB3 ASN A 54 17.285 -13.858 -4.150 1.00 1.00 H new ATOM 0 HD21 ASN A 54 16.017 -16.999 -1.844 1.00 1.00 H new ATOM 0 HD22 ASN A 54 15.274 -15.399 -1.740 1.00 1.00 H new ATOM 378 N GLY A 55 17.906 -12.577 0.134 1.00 1.00 N ATOM 379 CA GLY A 55 17.529 -12.723 1.568 1.00 1.00 C ATOM 380 C GLY A 55 17.029 -11.380 2.104 1.00 1.00 C ATOM 381 O GLY A 55 17.512 -10.878 3.099 1.00 1.00 O ATOM 0 H GLY A 55 18.432 -11.733 -0.092 1.00 1.00 H new ATOM 0 HA2 GLY A 55 16.753 -13.481 1.676 1.00 1.00 H new ATOM 0 HA3 GLY A 55 18.388 -13.061 2.148 1.00 1.00 H new ATOM 382 N HIS A 56 16.062 -10.794 1.451 1.00 1.00 N ATOM 383 CA HIS A 56 15.529 -9.486 1.920 1.00 1.00 C ATOM 384 C HIS A 56 16.691 -8.568 2.307 1.00 1.00 C ATOM 385 O HIS A 56 17.836 -8.842 2.009 1.00 1.00 O ATOM 386 CB HIS A 56 14.627 -9.716 3.132 1.00 1.00 C ATOM 387 CG HIS A 56 13.225 -9.997 2.667 1.00 1.00 C ATOM 388 ND1 HIS A 56 12.559 -11.169 2.989 1.00 1.00 N ATOM 389 CD2 HIS A 56 12.350 -9.268 1.900 1.00 1.00 C ATOM 390 CE1 HIS A 56 11.339 -11.111 2.424 1.00 1.00 C ATOM 391 NE2 HIS A 56 11.159 -9.973 1.748 1.00 1.00 N ATOM 0 H HIS A 56 15.618 -11.167 0.612 1.00 1.00 H new ATOM 0 HA HIS A 56 14.953 -9.017 1.122 1.00 1.00 H new ATOM 0 HB2 HIS A 56 15.000 -10.552 3.723 1.00 1.00 H new ATOM 0 HB3 HIS A 56 14.638 -8.839 3.779 1.00 1.00 H new ATOM 0 HD1 HIS A 56 12.927 -11.936 3.552 1.00 1.00 H new ATOM 0 HD2 HIS A 56 12.555 -8.295 1.478 1.00 1.00 H new ATOM 0 HE1 HIS A 56 10.596 -11.890 2.507 1.00 1.00 H new ATOM 392 N PHE A 57 16.407 -7.476 2.966 1.00 1.00 N ATOM 393 CA PHE A 57 17.490 -6.545 3.366 1.00 1.00 C ATOM 394 C PHE A 57 17.396 -6.293 4.874 1.00 1.00 C ATOM 395 O PHE A 57 16.960 -7.142 5.625 1.00 1.00 O ATOM 396 CB PHE A 57 17.325 -5.232 2.597 1.00 1.00 C ATOM 397 CG PHE A 57 15.968 -4.646 2.897 1.00 1.00 C ATOM 398 CD1 PHE A 57 14.843 -5.091 2.191 1.00 1.00 C ATOM 399 CD2 PHE A 57 15.832 -3.661 3.882 1.00 1.00 C ATOM 400 CE1 PHE A 57 13.582 -4.550 2.471 1.00 1.00 C ATOM 401 CE2 PHE A 57 14.572 -3.119 4.162 1.00 1.00 C ATOM 402 CZ PHE A 57 13.448 -3.564 3.456 1.00 1.00 C ATOM 0 H PHE A 57 15.467 -7.192 3.243 1.00 1.00 H new ATOM 0 HA PHE A 57 18.466 -6.973 3.136 1.00 1.00 H new ATOM 0 HB2 PHE A 57 18.108 -4.530 2.882 1.00 1.00 H new ATOM 0 HB3 PHE A 57 17.429 -5.409 1.526 1.00 1.00 H new ATOM 0 HD1 PHE A 57 14.948 -5.851 1.431 1.00 1.00 H new ATOM 0 HD2 PHE A 57 16.700 -3.319 4.426 1.00 1.00 H new ATOM 0 HE1 PHE A 57 12.714 -4.893 1.928 1.00 1.00 H new ATOM 0 HE2 PHE A 57 14.467 -2.359 4.922 1.00 1.00 H new ATOM 0 HZ PHE A 57 12.476 -3.146 3.672 1.00 1.00 H new ATOM 403 N TYR A 58 17.799 -5.137 5.321 1.00 1.00 N ATOM 404 CA TYR A 58 17.732 -4.832 6.781 1.00 1.00 C ATOM 405 C TYR A 58 18.640 -3.639 7.097 1.00 1.00 C ATOM 406 O TYR A 58 19.367 -3.642 8.070 1.00 1.00 O ATOM 407 CB TYR A 58 18.199 -6.050 7.581 1.00 1.00 C ATOM 408 CG TYR A 58 19.364 -6.700 6.874 1.00 1.00 C ATOM 409 CD1 TYR A 58 20.535 -5.969 6.634 1.00 1.00 C ATOM 410 CD2 TYR A 58 19.274 -8.035 6.458 1.00 1.00 C ATOM 411 CE1 TYR A 58 21.616 -6.573 5.978 1.00 1.00 C ATOM 412 CE2 TYR A 58 20.355 -8.639 5.801 1.00 1.00 C ATOM 413 CZ TYR A 58 21.526 -7.907 5.561 1.00 1.00 C ATOM 414 OH TYR A 58 22.591 -8.502 4.916 1.00 1.00 O ATOM 0 H TYR A 58 18.173 -4.387 4.739 1.00 1.00 H new ATOM 0 HA TYR A 58 16.704 -4.590 7.052 1.00 1.00 H new ATOM 0 HB2 TYR A 58 18.493 -5.747 8.586 1.00 1.00 H new ATOM 0 HB3 TYR A 58 17.382 -6.763 7.689 1.00 1.00 H new ATOM 0 HD1 TYR A 58 20.604 -4.940 6.955 1.00 1.00 H new ATOM 0 HD2 TYR A 58 18.372 -8.599 6.644 1.00 1.00 H new ATOM 0 HE1 TYR A 58 22.519 -6.010 5.794 1.00 1.00 H new ATOM 0 HE2 TYR A 58 20.286 -9.668 5.480 1.00 1.00 H new ATOM 0 HH TYR A 58 22.363 -9.429 4.696 1.00 1.00 H new ATOM 415 N ARG A 59 18.602 -2.620 6.283 1.00 1.00 N ATOM 416 CA ARG A 59 19.461 -1.429 6.534 1.00 1.00 C ATOM 417 C ARG A 59 18.996 -0.270 5.648 1.00 1.00 C ATOM 418 O ARG A 59 18.254 0.592 6.076 1.00 1.00 O ATOM 419 CB ARG A 59 20.921 -1.767 6.210 1.00 1.00 C ATOM 420 CG ARG A 59 20.975 -2.826 5.105 1.00 1.00 C ATOM 421 CD ARG A 59 22.019 -2.424 4.063 1.00 1.00 C ATOM 422 NE ARG A 59 21.705 -3.084 2.764 1.00 1.00 N ATOM 423 CZ ARG A 59 21.398 -2.361 1.722 1.00 1.00 C ATOM 424 NH1 ARG A 59 20.214 -1.819 1.630 1.00 1.00 N ATOM 425 NH2 ARG A 59 22.274 -2.179 0.772 1.00 1.00 N ATOM 0 H ARG A 59 18.012 -2.561 5.453 1.00 1.00 H new ATOM 0 HA ARG A 59 19.382 -1.141 7.582 1.00 1.00 H new ATOM 0 HB2 ARG A 59 21.450 -0.869 5.892 1.00 1.00 H new ATOM 0 HB3 ARG A 59 21.426 -2.134 7.103 1.00 1.00 H new ATOM 0 HG2 ARG A 59 21.226 -3.798 5.530 1.00 1.00 H new ATOM 0 HG3 ARG A 59 19.997 -2.926 4.635 1.00 1.00 H new ATOM 0 HD2 ARG A 59 22.027 -1.341 3.940 1.00 1.00 H new ATOM 0 HD3 ARG A 59 23.014 -2.714 4.399 1.00 1.00 H new ATOM 0 HE ARG A 59 21.730 -4.101 2.690 1.00 1.00 H new ATOM 0 HH11 ARG A 59 19.529 -1.961 2.373 1.00 1.00 H new ATOM 0 HH12 ARG A 59 19.974 -1.254 0.816 1.00 1.00 H new ATOM 0 HH21 ARG A 59 23.199 -2.602 0.844 1.00 1.00 H new ATOM 0 HH22 ARG A 59 22.033 -1.614 -0.042 1.00 1.00 H new ATOM 426 N GLY A 60 19.426 -0.243 4.416 1.00 1.00 N ATOM 427 CA GLY A 60 19.009 0.860 3.503 1.00 1.00 C ATOM 428 C GLY A 60 17.482 0.905 3.410 1.00 1.00 C ATOM 429 O GLY A 60 16.794 0.034 3.904 1.00 1.00 O ATOM 0 H GLY A 60 20.048 -0.937 4.002 1.00 1.00 H new ATOM 0 HA2 GLY A 60 19.388 1.813 3.872 1.00 1.00 H new ATOM 0 HA3 GLY A 60 19.439 0.707 2.513 1.00 1.00 H new ATOM 430 N LYS A 61 16.948 1.915 2.778 1.00 1.00 N ATOM 431 CA LYS A 61 15.467 2.019 2.651 1.00 1.00 C ATOM 432 C LYS A 61 15.019 1.367 1.341 1.00 1.00 C ATOM 433 O LYS A 61 14.237 0.437 1.334 1.00 1.00 O ATOM 434 CB LYS A 61 15.057 3.494 2.651 1.00 1.00 C ATOM 435 CG LYS A 61 15.635 4.188 3.885 1.00 1.00 C ATOM 436 CD LYS A 61 15.239 5.666 3.871 1.00 1.00 C ATOM 437 CE LYS A 61 14.846 6.105 5.283 1.00 1.00 C ATOM 438 NZ LYS A 61 13.361 6.172 5.388 1.00 1.00 N ATOM 0 H LYS A 61 17.474 2.673 2.344 1.00 1.00 H new ATOM 0 HA LYS A 61 14.995 1.509 3.491 1.00 1.00 H new ATOM 0 HB2 LYS A 61 15.417 3.982 1.745 1.00 1.00 H new ATOM 0 HB3 LYS A 61 13.970 3.580 2.649 1.00 1.00 H new ATOM 0 HG2 LYS A 61 15.264 3.710 4.792 1.00 1.00 H new ATOM 0 HG3 LYS A 61 16.721 4.091 3.895 1.00 1.00 H new ATOM 0 HD2 LYS A 61 16.069 6.272 3.509 1.00 1.00 H new ATOM 0 HD3 LYS A 61 14.406 5.823 3.185 1.00 1.00 H new ATOM 0 HE2 LYS A 61 15.242 5.403 6.017 1.00 1.00 H new ATOM 0 HE3 LYS A 61 15.281 7.079 5.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 13.094 6.470 6.348 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 12.995 6.858 4.698 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 12.956 5.234 5.192 1.00 1.00 H new ATOM 439 N ALA A 62 15.508 1.849 0.231 1.00 1.00 N ATOM 440 CA ALA A 62 15.109 1.259 -1.079 1.00 1.00 C ATOM 441 C ALA A 62 13.596 1.039 -1.100 1.00 1.00 C ATOM 442 O ALA A 62 13.122 -0.066 -1.279 1.00 1.00 O ATOM 443 CB ALA A 62 15.821 -0.080 -1.273 1.00 1.00 C ATOM 0 H ALA A 62 16.167 2.626 0.174 1.00 1.00 H new ATOM 0 HA ALA A 62 15.388 1.939 -1.884 1.00 1.00 H new ATOM 0 HB1 ALA A 62 15.530 -0.512 -2.231 1.00 1.00 H new ATOM 0 HB2 ALA A 62 16.900 0.076 -1.259 1.00 1.00 H new ATOM 0 HB3 ALA A 62 15.542 -0.760 -0.468 1.00 1.00 H new ATOM 444 N SER A 63 12.834 2.082 -0.920 1.00 1.00 N ATOM 445 CA SER A 63 11.352 1.932 -0.931 1.00 1.00 C ATOM 446 C SER A 63 10.807 2.333 -2.304 1.00 1.00 C ATOM 447 O SER A 63 9.631 2.197 -2.578 1.00 1.00 O ATOM 448 CB SER A 63 10.741 2.835 0.141 1.00 1.00 C ATOM 449 OG SER A 63 10.614 2.105 1.354 1.00 1.00 O ATOM 0 H SER A 63 13.173 3.031 -0.766 1.00 1.00 H new ATOM 0 HA SER A 63 11.091 0.894 -0.726 1.00 1.00 H new ATOM 0 HB2 SER A 63 11.369 3.712 0.295 1.00 1.00 H new ATOM 0 HB3 SER A 63 9.765 3.195 -0.184 1.00 1.00 H new ATOM 0 HG SER A 63 9.666 2.026 1.591 1.00 1.00 H new ATOM 450 N THR A 64 11.651 2.827 -3.169 1.00 1.00 N ATOM 451 CA THR A 64 11.176 3.238 -4.521 1.00 1.00 C ATOM 452 C THR A 64 11.546 2.161 -5.542 1.00 1.00 C ATOM 453 O THR A 64 12.485 1.414 -5.356 1.00 1.00 O ATOM 454 CB THR A 64 11.841 4.558 -4.918 1.00 1.00 C ATOM 455 OG1 THR A 64 13.249 4.439 -4.767 1.00 1.00 O ATOM 456 CG2 THR A 64 11.324 5.686 -4.027 1.00 1.00 C ATOM 0 H THR A 64 12.647 2.964 -2.998 1.00 1.00 H new ATOM 0 HA THR A 64 10.094 3.366 -4.499 1.00 1.00 H new ATOM 0 HB THR A 64 11.602 4.786 -5.957 1.00 1.00 H new ATOM 0 HG1 THR A 64 13.678 5.282 -5.022 1.00 1.00 H new ATOM 0 HG21 THR A 64 11.800 6.624 -4.314 1.00 1.00 H new ATOM 0 HG22 THR A 64 10.244 5.777 -4.145 1.00 1.00 H new ATOM 0 HG23 THR A 64 11.558 5.464 -2.986 1.00 1.00 H new ATOM 457 N ASP A 65 10.819 2.078 -6.624 1.00 1.00 N ATOM 458 CA ASP A 65 11.142 1.050 -7.652 1.00 1.00 C ATOM 459 C ASP A 65 12.578 1.255 -8.133 1.00 1.00 C ATOM 460 O ASP A 65 13.380 1.873 -7.462 1.00 1.00 O ATOM 461 CB ASP A 65 10.177 1.168 -8.827 1.00 1.00 C ATOM 462 CG ASP A 65 10.169 2.601 -9.354 1.00 1.00 C ATOM 463 OD1 ASP A 65 10.560 3.487 -8.614 1.00 1.00 O ATOM 464 OD2 ASP A 65 9.771 2.791 -10.492 1.00 1.00 O ATOM 0 H ASP A 65 10.020 2.675 -6.839 1.00 1.00 H new ATOM 0 HA ASP A 65 11.043 0.056 -7.217 1.00 1.00 H new ATOM 0 HB2 ASP A 65 10.472 0.482 -9.621 1.00 1.00 H new ATOM 0 HB3 ASP A 65 9.173 0.881 -8.514 1.00 1.00 H new ATOM 465 N THR A 66 12.915 0.754 -9.292 1.00 1.00 N ATOM 466 CA THR A 66 14.298 0.936 -9.806 1.00 1.00 C ATOM 467 C THR A 66 14.378 2.280 -10.535 1.00 1.00 C ATOM 468 O THR A 66 15.185 2.467 -11.424 1.00 1.00 O ATOM 469 CB THR A 66 14.639 -0.201 -10.780 1.00 1.00 C ATOM 470 OG1 THR A 66 13.444 -0.669 -11.390 1.00 1.00 O ATOM 471 CG2 THR A 66 15.315 -1.358 -10.029 1.00 1.00 C ATOM 0 H THR A 66 12.290 0.227 -9.903 1.00 1.00 H new ATOM 0 HA THR A 66 15.008 0.920 -8.979 1.00 1.00 H new ATOM 0 HB THR A 66 15.323 0.174 -11.541 1.00 1.00 H new ATOM 0 HG1 THR A 66 13.657 -1.394 -12.014 1.00 1.00 H new ATOM 0 HG21 THR A 66 15.552 -2.158 -10.730 1.00 1.00 H new ATOM 0 HG22 THR A 66 16.233 -1.001 -9.562 1.00 1.00 H new ATOM 0 HG23 THR A 66 14.640 -1.737 -9.261 1.00 1.00 H new ATOM 472 N MET A 67 13.547 3.224 -10.165 1.00 1.00 N ATOM 473 CA MET A 67 13.578 4.546 -10.832 1.00 1.00 C ATOM 474 C MET A 67 13.608 5.626 -9.753 1.00 1.00 C ATOM 475 O MET A 67 14.557 6.374 -9.633 1.00 1.00 O ATOM 476 CB MET A 67 12.329 4.717 -11.699 1.00 1.00 C ATOM 477 CG MET A 67 12.522 3.976 -13.023 1.00 1.00 C ATOM 478 SD MET A 67 11.040 3.003 -13.390 1.00 1.00 S ATOM 479 CE MET A 67 11.625 1.432 -12.708 1.00 1.00 C ATOM 0 H MET A 67 12.850 3.128 -9.427 1.00 1.00 H new ATOM 0 HA MET A 67 14.459 4.625 -11.468 1.00 1.00 H new ATOM 0 HB2 MET A 67 11.455 4.329 -11.177 1.00 1.00 H new ATOM 0 HB3 MET A 67 12.145 5.775 -11.886 1.00 1.00 H new ATOM 0 HG2 MET A 67 12.711 4.688 -13.826 1.00 1.00 H new ATOM 0 HG3 MET A 67 13.393 3.324 -12.964 1.00 1.00 H new ATOM 0 HE1 MET A 67 10.882 0.656 -12.893 1.00 1.00 H new ATOM 0 HE2 MET A 67 12.565 1.156 -13.185 1.00 1.00 H new ATOM 0 HE3 MET A 67 11.780 1.537 -11.634 1.00 1.00 H new ATOM 480 N GLY A 68 12.579 5.698 -8.952 1.00 1.00 N ATOM 481 CA GLY A 68 12.558 6.715 -7.866 1.00 1.00 C ATOM 482 C GLY A 68 11.167 6.783 -7.235 1.00 1.00 C ATOM 483 O GLY A 68 11.012 7.173 -6.095 1.00 1.00 O ATOM 0 H GLY A 68 11.756 5.098 -9.004 1.00 1.00 H new ATOM 0 HA2 GLY A 68 13.298 6.462 -7.107 1.00 1.00 H new ATOM 0 HA3 GLY A 68 12.832 7.691 -8.266 1.00 1.00 H new ATOM 484 N ARG A 69 10.152 6.411 -7.963 1.00 1.00 N ATOM 485 CA ARG A 69 8.774 6.461 -7.392 1.00 1.00 C ATOM 486 C ARG A 69 8.727 5.610 -6.116 1.00 1.00 C ATOM 487 O ARG A 69 9.402 4.606 -6.022 1.00 1.00 O ATOM 488 CB ARG A 69 7.765 5.928 -8.414 1.00 1.00 C ATOM 489 CG ARG A 69 8.315 4.666 -9.080 1.00 1.00 C ATOM 490 CD ARG A 69 7.289 4.118 -10.069 1.00 1.00 C ATOM 491 NE ARG A 69 6.828 5.215 -10.967 1.00 1.00 N ATOM 492 CZ ARG A 69 6.815 5.037 -12.260 1.00 1.00 C ATOM 493 NH1 ARG A 69 6.662 3.838 -12.753 1.00 1.00 N ATOM 494 NH2 ARG A 69 6.954 6.058 -13.060 1.00 1.00 N ATOM 0 H ARG A 69 10.214 6.076 -8.924 1.00 1.00 H new ATOM 0 HA ARG A 69 8.516 7.492 -7.152 1.00 1.00 H new ATOM 0 HB2 ARG A 69 6.818 5.706 -7.922 1.00 1.00 H new ATOM 0 HB3 ARG A 69 7.562 6.688 -9.168 1.00 1.00 H new ATOM 0 HG2 ARG A 69 9.248 4.893 -9.597 1.00 1.00 H new ATOM 0 HG3 ARG A 69 8.544 3.914 -8.324 1.00 1.00 H new ATOM 0 HD2 ARG A 69 7.729 3.313 -10.657 1.00 1.00 H new ATOM 0 HD3 ARG A 69 6.441 3.693 -9.532 1.00 1.00 H new ATOM 0 HE ARG A 69 6.523 6.104 -10.571 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.553 3.040 -12.128 1.00 1.00 H new ATOM 0 HH12 ARG A 69 6.652 3.700 -13.764 1.00 1.00 H new ATOM 0 HH21 ARG A 69 7.073 6.995 -12.675 1.00 1.00 H new ATOM 0 HH22 ARG A 69 6.944 5.919 -14.070 1.00 1.00 H new ATOM 495 N PRO A 70 7.942 6.053 -5.162 1.00 1.00 N ATOM 496 CA PRO A 70 7.810 5.367 -3.880 1.00 1.00 C ATOM 497 C PRO A 70 7.031 4.052 -4.016 1.00 1.00 C ATOM 498 O PRO A 70 6.839 3.340 -3.050 1.00 1.00 O ATOM 499 CB PRO A 70 7.043 6.350 -3.002 1.00 1.00 C ATOM 500 CG PRO A 70 6.247 7.215 -4.029 1.00 1.00 C ATOM 501 CD PRO A 70 7.135 7.275 -5.304 1.00 1.00 C ATOM 0 HA PRO A 70 8.782 5.095 -3.467 1.00 1.00 H new ATOM 0 HB2 PRO A 70 6.377 5.834 -2.310 1.00 1.00 H new ATOM 0 HB3 PRO A 70 7.717 6.960 -2.400 1.00 1.00 H new ATOM 0 HG2 PRO A 70 5.277 6.769 -4.248 1.00 1.00 H new ATOM 0 HG3 PRO A 70 6.057 8.214 -3.636 1.00 1.00 H new ATOM 0 HD2 PRO A 70 6.541 7.269 -6.218 1.00 1.00 H new ATOM 0 HD3 PRO A 70 7.753 8.173 -5.331 1.00 1.00 H new ATOM 502 N CYS A 71 6.581 3.716 -5.194 1.00 1.00 N ATOM 503 CA CYS A 71 5.821 2.441 -5.353 1.00 1.00 C ATOM 504 C CYS A 71 4.421 2.606 -4.754 1.00 1.00 C ATOM 505 O CYS A 71 4.160 3.535 -4.016 1.00 1.00 O ATOM 506 CB CYS A 71 6.560 1.320 -4.617 1.00 1.00 C ATOM 507 SG CYS A 71 6.103 -0.284 -5.322 1.00 1.00 S ATOM 0 H CYS A 71 6.704 4.262 -6.047 1.00 1.00 H new ATOM 0 HA CYS A 71 5.737 2.193 -6.411 1.00 1.00 H new ATOM 0 HB2 CYS A 71 7.637 1.469 -4.697 1.00 1.00 H new ATOM 0 HB3 CYS A 71 6.312 1.345 -3.556 1.00 1.00 H new ATOM 508 N LEU A 72 3.516 1.713 -5.060 1.00 1.00 N ATOM 509 CA LEU A 72 2.141 1.832 -4.497 1.00 1.00 C ATOM 510 C LEU A 72 2.112 1.215 -3.095 1.00 1.00 C ATOM 511 O LEU A 72 2.315 0.026 -2.948 1.00 1.00 O ATOM 512 CB LEU A 72 1.149 1.076 -5.384 1.00 1.00 C ATOM 513 CG LEU A 72 1.120 1.696 -6.780 1.00 1.00 C ATOM 514 CD1 LEU A 72 0.844 0.604 -7.814 1.00 1.00 C ATOM 515 CD2 LEU A 72 0.010 2.745 -6.843 1.00 1.00 C ATOM 0 H LEU A 72 3.669 0.911 -5.672 1.00 1.00 H new ATOM 0 HA LEU A 72 1.865 2.886 -4.452 1.00 1.00 H new ATOM 0 HB2 LEU A 72 1.434 0.026 -5.449 1.00 1.00 H new ATOM 0 HB3 LEU A 72 0.154 1.110 -4.941 1.00 1.00 H new ATOM 0 HG LEU A 72 2.081 2.165 -6.992 1.00 1.00 H new ATOM 0 HD11 LEU A 72 0.823 1.044 -8.811 1.00 1.00 H new ATOM 0 HD12 LEU A 72 1.630 -0.149 -7.766 1.00 1.00 H new ATOM 0 HD13 LEU A 72 -0.118 0.138 -7.603 1.00 1.00 H new ATOM 0 HD21 LEU A 72 -0.014 3.190 -7.838 1.00 1.00 H new ATOM 0 HD22 LEU A 72 -0.950 2.272 -6.634 1.00 1.00 H new ATOM 0 HD23 LEU A 72 0.201 3.522 -6.103 1.00 1.00 H new ATOM 516 N PRO A 73 1.847 2.029 -2.102 1.00 1.00 N ATOM 517 CA PRO A 73 1.779 1.550 -0.733 1.00 1.00 C ATOM 518 C PRO A 73 0.849 0.338 -0.681 1.00 1.00 C ATOM 519 O PRO A 73 -0.171 0.312 -1.334 1.00 1.00 O ATOM 520 CB PRO A 73 1.193 2.717 0.053 1.00 1.00 C ATOM 521 CG PRO A 73 1.570 3.964 -0.808 1.00 1.00 C ATOM 522 CD PRO A 73 1.600 3.466 -2.281 1.00 1.00 C ATOM 0 HA PRO A 73 2.744 1.241 -0.332 1.00 1.00 H new ATOM 0 HB2 PRO A 73 0.113 2.621 0.169 1.00 1.00 H new ATOM 0 HB3 PRO A 73 1.617 2.779 1.055 1.00 1.00 H new ATOM 0 HG2 PRO A 73 0.840 4.763 -0.680 1.00 1.00 H new ATOM 0 HG3 PRO A 73 2.539 4.366 -0.511 1.00 1.00 H new ATOM 0 HD2 PRO A 73 0.660 3.659 -2.798 1.00 1.00 H new ATOM 0 HD3 PRO A 73 2.387 3.948 -2.861 1.00 1.00 H new ATOM 523 N TRP A 74 1.187 -0.668 0.077 1.00 1.00 N ATOM 524 CA TRP A 74 0.308 -1.872 0.143 1.00 1.00 C ATOM 525 C TRP A 74 -1.130 -1.450 0.467 1.00 1.00 C ATOM 526 O TRP A 74 -2.066 -2.191 0.241 1.00 1.00 O ATOM 527 CB TRP A 74 0.832 -2.831 1.214 1.00 1.00 C ATOM 528 CG TRP A 74 2.325 -2.893 1.133 1.00 1.00 C ATOM 529 CD1 TRP A 74 3.174 -2.236 1.956 1.00 1.00 C ATOM 530 CD2 TRP A 74 3.159 -3.634 0.193 1.00 1.00 C ATOM 531 NE1 TRP A 74 4.474 -2.527 1.585 1.00 1.00 N ATOM 532 CE2 TRP A 74 4.518 -3.384 0.503 1.00 1.00 C ATOM 533 CE3 TRP A 74 2.871 -4.491 -0.886 1.00 1.00 C ATOM 534 CZ2 TRP A 74 5.553 -3.964 -0.234 1.00 1.00 C ATOM 535 CZ3 TRP A 74 3.910 -5.075 -1.630 1.00 1.00 C ATOM 536 CH2 TRP A 74 5.248 -4.812 -1.304 1.00 1.00 C ATOM 0 H TRP A 74 2.029 -0.710 0.651 1.00 1.00 H new ATOM 0 HA TRP A 74 0.315 -2.379 -0.822 1.00 1.00 H new ATOM 0 HB2 TRP A 74 0.524 -2.493 2.203 1.00 1.00 H new ATOM 0 HB3 TRP A 74 0.407 -3.824 1.069 1.00 1.00 H new ATOM 0 HD1 TRP A 74 2.884 -1.589 2.771 1.00 1.00 H new ATOM 0 HE1 TRP A 74 5.300 -2.154 2.053 1.00 1.00 H new ATOM 0 HE3 TRP A 74 1.844 -4.701 -1.144 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 6.582 -3.759 0.021 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 3.677 -5.730 -2.457 1.00 1.00 H new ATOM 0 HH2 TRP A 74 6.043 -5.264 -1.879 1.00 1.00 H new ATOM 537 N ASN A 75 -1.319 -0.264 0.986 1.00 1.00 N ATOM 538 CA ASN A 75 -2.701 0.197 1.309 1.00 1.00 C ATOM 539 C ASN A 75 -3.440 0.547 0.011 1.00 1.00 C ATOM 540 O ASN A 75 -4.609 0.255 -0.145 1.00 1.00 O ATOM 541 CB ASN A 75 -2.629 1.438 2.202 1.00 1.00 C ATOM 542 CG ASN A 75 -3.982 1.660 2.879 1.00 1.00 C ATOM 543 OD1 ASN A 75 -4.448 0.819 3.623 1.00 1.00 O ATOM 544 ND2 ASN A 75 -4.638 2.766 2.653 1.00 1.00 N ATOM 0 H ASN A 75 -0.578 0.403 1.199 1.00 1.00 H new ATOM 0 HA ASN A 75 -3.236 -0.597 1.830 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -1.850 1.313 2.954 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -2.360 2.311 1.608 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -5.541 2.924 3.101 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -4.248 3.472 2.029 1.00 1.00 H new ATOM 545 N SER A 76 -2.758 1.173 -0.915 1.00 1.00 N ATOM 546 CA SER A 76 -3.386 1.554 -2.210 1.00 1.00 C ATOM 547 C SER A 76 -4.337 0.451 -2.654 1.00 1.00 C ATOM 548 O SER A 76 -3.926 -0.581 -3.136 1.00 1.00 O ATOM 549 CB SER A 76 -2.298 1.750 -3.267 1.00 1.00 C ATOM 550 OG SER A 76 -2.464 3.022 -3.879 1.00 1.00 O ATOM 0 H SER A 76 -1.777 1.439 -0.824 1.00 1.00 H new ATOM 0 HA SER A 76 -3.941 2.484 -2.087 1.00 1.00 H new ATOM 0 HB2 SER A 76 -1.312 1.680 -2.808 1.00 1.00 H new ATOM 0 HB3 SER A 76 -2.357 0.962 -4.017 1.00 1.00 H new ATOM 0 HG SER A 76 -1.768 3.153 -4.556 1.00 1.00 H new ATOM 551 N ALA A 77 -5.603 0.675 -2.470 1.00 1.00 N ATOM 552 CA ALA A 77 -6.636 -0.342 -2.846 1.00 1.00 C ATOM 553 C ALA A 77 -6.198 -1.132 -4.085 1.00 1.00 C ATOM 554 O ALA A 77 -6.502 -2.300 -4.220 1.00 1.00 O ATOM 555 CB ALA A 77 -7.958 0.368 -3.144 1.00 1.00 C ATOM 0 H ALA A 77 -5.980 1.533 -2.068 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.759 -1.036 -2.015 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.713 -0.369 -3.418 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -8.287 0.912 -2.258 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -7.818 1.068 -3.968 1.00 1.00 H new ATOM 556 N THR A 78 -5.481 -0.518 -4.986 1.00 1.00 N ATOM 557 CA THR A 78 -5.025 -1.258 -6.200 1.00 1.00 C ATOM 558 C THR A 78 -4.187 -2.459 -5.769 1.00 1.00 C ATOM 559 O THR A 78 -4.524 -3.596 -6.036 1.00 1.00 O ATOM 560 CB THR A 78 -4.165 -0.337 -7.066 1.00 1.00 C ATOM 561 OG1 THR A 78 -4.599 1.007 -6.905 1.00 1.00 O ATOM 562 CG2 THR A 78 -4.291 -0.746 -8.534 1.00 1.00 C ATOM 0 H THR A 78 -5.192 0.459 -4.936 1.00 1.00 H new ATOM 0 HA THR A 78 -5.892 -1.593 -6.769 1.00 1.00 H new ATOM 0 HB THR A 78 -3.123 -0.420 -6.758 1.00 1.00 H new ATOM 0 HG1 THR A 78 -4.047 1.598 -7.459 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.677 -0.088 -9.149 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.953 -1.775 -8.655 1.00 1.00 H new ATOM 0 HG23 THR A 78 -5.332 -0.667 -8.846 1.00 1.00 H new ATOM 563 N VAL A 79 -3.098 -2.217 -5.094 1.00 1.00 N ATOM 564 CA VAL A 79 -2.250 -3.330 -4.637 1.00 1.00 C ATOM 565 C VAL A 79 -3.077 -4.203 -3.694 1.00 1.00 C ATOM 566 O VAL A 79 -2.960 -5.412 -3.684 1.00 1.00 O ATOM 567 CB VAL A 79 -1.039 -2.744 -3.918 1.00 1.00 C ATOM 568 CG1 VAL A 79 -1.471 -1.586 -3.025 1.00 1.00 C ATOM 569 CG2 VAL A 79 -0.394 -3.811 -3.060 1.00 1.00 C ATOM 0 H VAL A 79 -2.765 -1.286 -4.842 1.00 1.00 H new ATOM 0 HA VAL A 79 -1.903 -3.940 -5.471 1.00 1.00 H new ATOM 0 HB VAL A 79 -0.328 -2.384 -4.662 1.00 1.00 H new ATOM 0 HG11 VAL A 79 -0.599 -1.174 -2.516 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -1.935 -0.810 -3.634 1.00 1.00 H new ATOM 0 HG13 VAL A 79 -2.187 -1.944 -2.286 1.00 1.00 H new ATOM 0 HG21 VAL A 79 0.471 -3.391 -2.547 1.00 1.00 H new ATOM 0 HG22 VAL A 79 -1.113 -4.170 -2.324 1.00 1.00 H new ATOM 0 HG23 VAL A 79 -0.075 -4.641 -3.690 1.00 1.00 H new ATOM 570 N LEU A 80 -3.937 -3.595 -2.922 1.00 1.00 N ATOM 571 CA LEU A 80 -4.800 -4.386 -2.006 1.00 1.00 C ATOM 572 C LEU A 80 -5.513 -5.443 -2.842 1.00 1.00 C ATOM 573 O LEU A 80 -5.752 -6.552 -2.408 1.00 1.00 O ATOM 574 CB LEU A 80 -5.842 -3.471 -1.354 1.00 1.00 C ATOM 575 CG LEU A 80 -5.196 -2.655 -0.233 1.00 1.00 C ATOM 576 CD1 LEU A 80 -6.285 -1.933 0.564 1.00 1.00 C ATOM 577 CD2 LEU A 80 -4.426 -3.590 0.700 1.00 1.00 C ATOM 0 H LEU A 80 -4.077 -2.585 -2.888 1.00 1.00 H new ATOM 0 HA LEU A 80 -4.199 -4.848 -1.223 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.269 -2.802 -2.102 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.662 -4.067 -0.954 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.512 -1.924 -0.665 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -5.826 -1.351 1.363 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.839 -1.267 -0.098 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.967 -2.666 0.995 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.966 -3.009 1.499 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.112 -4.320 1.131 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.651 -4.109 0.136 1.00 1.00 H new ATOM 578 N GLN A 81 -5.840 -5.092 -4.054 1.00 1.00 N ATOM 579 CA GLN A 81 -6.525 -6.046 -4.963 1.00 1.00 C ATOM 580 C GLN A 81 -5.526 -7.121 -5.392 1.00 1.00 C ATOM 581 O GLN A 81 -5.867 -8.276 -5.551 1.00 1.00 O ATOM 582 CB GLN A 81 -7.025 -5.284 -6.192 1.00 1.00 C ATOM 583 CG GLN A 81 -8.512 -5.567 -6.397 1.00 1.00 C ATOM 584 CD GLN A 81 -8.764 -5.969 -7.851 1.00 1.00 C ATOM 585 OE1 GLN A 81 -7.947 -5.718 -8.714 1.00 1.00 O ATOM 586 NE2 GLN A 81 -9.871 -6.588 -8.162 1.00 1.00 N ATOM 0 H GLN A 81 -5.658 -4.172 -4.456 1.00 1.00 H new ATOM 0 HA GLN A 81 -7.369 -6.515 -4.457 1.00 1.00 H new ATOM 0 HB2 GLN A 81 -6.862 -4.214 -6.061 1.00 1.00 H new ATOM 0 HB3 GLN A 81 -6.461 -5.586 -7.075 1.00 1.00 H new ATOM 0 HG2 GLN A 81 -8.836 -6.364 -5.728 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -9.098 -4.683 -6.147 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -10.558 -6.799 -7.438 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -10.049 -6.860 -9.129 1.00 1.00 H new ATOM 587 N GLN A 82 -4.290 -6.743 -5.576 1.00 1.00 N ATOM 588 CA GLN A 82 -3.255 -7.732 -5.990 1.00 1.00 C ATOM 589 C GLN A 82 -3.142 -8.831 -4.929 1.00 1.00 C ATOM 590 O GLN A 82 -4.115 -9.209 -4.308 1.00 1.00 O ATOM 591 CB GLN A 82 -1.909 -7.019 -6.140 1.00 1.00 C ATOM 592 CG GLN A 82 -2.064 -5.833 -7.093 1.00 1.00 C ATOM 593 CD GLN A 82 -1.812 -6.295 -8.529 1.00 1.00 C ATOM 594 OE1 GLN A 82 -1.782 -7.479 -8.802 1.00 1.00 O ATOM 595 NE2 GLN A 82 -1.629 -5.405 -9.465 1.00 1.00 N ATOM 0 H GLN A 82 -3.952 -5.788 -5.457 1.00 1.00 H new ATOM 0 HA GLN A 82 -3.537 -8.182 -6.942 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -1.558 -6.674 -5.167 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -1.159 -7.711 -6.523 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -3.065 -5.412 -7.006 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -1.362 -5.044 -6.825 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -1.654 -4.411 -9.236 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -1.461 -5.703 -10.426 1.00 1.00 H new ATOM 596 N THR A 83 -1.962 -9.354 -4.720 1.00 1.00 N ATOM 597 CA THR A 83 -1.792 -10.433 -3.705 1.00 1.00 C ATOM 598 C THR A 83 -0.966 -9.912 -2.525 1.00 1.00 C ATOM 599 O THR A 83 -1.500 -9.487 -1.520 1.00 1.00 O ATOM 600 CB THR A 83 -1.074 -11.622 -4.347 1.00 1.00 C ATOM 601 OG1 THR A 83 -1.933 -12.235 -5.298 1.00 1.00 O ATOM 602 CG2 THR A 83 -0.696 -12.638 -3.269 1.00 1.00 C ATOM 0 H THR A 83 -1.110 -9.080 -5.209 1.00 1.00 H new ATOM 0 HA THR A 83 -2.771 -10.747 -3.344 1.00 1.00 H new ATOM 0 HB THR A 83 -0.170 -11.273 -4.845 1.00 1.00 H new ATOM 0 HG1 THR A 83 -1.474 -12.996 -5.711 1.00 1.00 H new ATOM 0 HG21 THR A 83 -0.185 -13.484 -3.729 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.035 -12.167 -2.541 1.00 1.00 H new ATOM 0 HG23 THR A 83 -1.598 -12.989 -2.767 1.00 1.00 H new ATOM 603 N TYR A 84 0.335 -9.944 -2.635 1.00 1.00 N ATOM 604 CA TYR A 84 1.192 -9.454 -1.517 1.00 1.00 C ATOM 605 C TYR A 84 0.918 -7.972 -1.270 1.00 1.00 C ATOM 606 O TYR A 84 1.557 -7.106 -1.834 1.00 1.00 O ATOM 607 CB TYR A 84 2.664 -9.660 -1.873 1.00 1.00 C ATOM 608 CG TYR A 84 2.940 -11.139 -2.007 1.00 1.00 C ATOM 609 CD1 TYR A 84 2.730 -11.995 -0.917 1.00 1.00 C ATOM 610 CD2 TYR A 84 3.402 -11.656 -3.225 1.00 1.00 C ATOM 611 CE1 TYR A 84 2.983 -13.367 -1.046 1.00 1.00 C ATOM 612 CE2 TYR A 84 3.655 -13.028 -3.353 1.00 1.00 C ATOM 613 CZ TYR A 84 3.446 -13.884 -2.264 1.00 1.00 C ATOM 614 OH TYR A 84 3.694 -15.235 -2.390 1.00 1.00 O ATOM 0 H TYR A 84 0.841 -10.288 -3.451 1.00 1.00 H new ATOM 0 HA TYR A 84 0.961 -10.014 -0.611 1.00 1.00 H new ATOM 0 HB2 TYR A 84 2.900 -9.148 -2.806 1.00 1.00 H new ATOM 0 HB3 TYR A 84 3.301 -9.227 -1.102 1.00 1.00 H new ATOM 0 HD1 TYR A 84 2.373 -11.597 0.022 1.00 1.00 H new ATOM 0 HD2 TYR A 84 3.563 -10.997 -4.065 1.00 1.00 H new ATOM 0 HE1 TYR A 84 2.821 -14.027 -0.206 1.00 1.00 H new ATOM 0 HE2 TYR A 84 4.011 -13.426 -4.292 1.00 1.00 H new ATOM 0 HH TYR A 84 4.008 -15.427 -3.298 1.00 1.00 H new ATOM 615 N HIS A 85 -0.030 -7.679 -0.424 1.00 1.00 N ATOM 616 CA HIS A 85 -0.356 -6.259 -0.124 1.00 1.00 C ATOM 617 C HIS A 85 -0.761 -6.140 1.347 1.00 1.00 C ATOM 618 O HIS A 85 -0.318 -6.900 2.182 1.00 1.00 O ATOM 619 CB HIS A 85 -1.503 -5.799 -1.026 1.00 1.00 C ATOM 620 CG HIS A 85 -2.736 -6.597 -0.718 1.00 1.00 C ATOM 621 ND1 HIS A 85 -3.153 -7.658 -1.507 1.00 1.00 N ATOM 622 CD2 HIS A 85 -3.654 -6.500 0.291 1.00 1.00 C ATOM 623 CE1 HIS A 85 -4.279 -8.151 -0.956 1.00 1.00 C ATOM 624 NE2 HIS A 85 -4.626 -7.481 0.140 1.00 1.00 N ATOM 0 H HIS A 85 -0.595 -8.366 0.074 1.00 1.00 H new ATOM 0 HA HIS A 85 0.514 -5.629 -0.310 1.00 1.00 H new ATOM 0 HB2 HIS A 85 -1.697 -4.737 -0.872 1.00 1.00 H new ATOM 0 HB3 HIS A 85 -1.228 -5.925 -2.073 1.00 1.00 H new ATOM 0 HD1 HIS A 85 -2.692 -8.002 -2.349 1.00 1.00 H new ATOM 0 HD2 HIS A 85 -3.627 -5.770 1.086 1.00 1.00 H new ATOM 0 HE1 HIS A 85 -4.833 -8.988 -1.355 1.00 1.00 H new ATOM 625 N ALA A 86 -1.589 -5.190 1.678 1.00 1.00 N ATOM 626 CA ALA A 86 -1.999 -5.031 3.103 1.00 1.00 C ATOM 627 C ALA A 86 -3.335 -5.736 3.349 1.00 1.00 C ATOM 628 O ALA A 86 -4.236 -5.175 3.932 1.00 1.00 O ATOM 629 CB ALA A 86 -2.151 -3.545 3.420 1.00 1.00 C ATOM 0 H ALA A 86 -1.999 -4.519 1.028 1.00 1.00 H new ATOM 0 HA ALA A 86 -1.237 -5.474 3.744 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -2.451 -3.424 4.461 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -1.200 -3.039 3.255 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -2.911 -3.110 2.771 1.00 1.00 H new ATOM 630 N HIS A 87 -3.468 -6.960 2.907 1.00 1.00 N ATOM 631 CA HIS A 87 -4.749 -7.699 3.116 1.00 1.00 C ATOM 632 C HIS A 87 -4.636 -9.099 2.505 1.00 1.00 C ATOM 633 O HIS A 87 -5.539 -9.567 1.840 1.00 1.00 O ATOM 634 CB HIS A 87 -5.900 -6.951 2.431 1.00 1.00 C ATOM 635 CG HIS A 87 -6.676 -6.157 3.448 1.00 1.00 C ATOM 636 ND1 HIS A 87 -6.486 -5.945 4.791 1.00 1.00 N flip ATOM 637 CD2 HIS A 87 -7.820 -5.452 3.112 1.00 1.00 C flip ATOM 638 CE1 HIS A 87 -7.496 -5.123 5.283 1.00 1.00 C flip ATOM 639 NE2 HIS A 87 -8.272 -4.855 4.229 1.00 1.00 N flip ATOM 0 H HIS A 87 -2.745 -7.480 2.410 1.00 1.00 H new ATOM 0 HA HIS A 87 -4.946 -7.773 4.186 1.00 1.00 H new ATOM 0 HB2 HIS A 87 -5.506 -6.286 1.662 1.00 1.00 H new ATOM 0 HB3 HIS A 87 -6.559 -7.661 1.931 1.00 1.00 H new ATOM 0 HD2 HIS A 87 -8.268 -5.393 2.131 1.00 1.00 H new ATOM 0 HE1 HIS A 87 -7.625 -4.777 6.298 1.00 1.00 H new ATOM 0 HE2 HIS A 87 -9.106 -4.269 4.267 1.00 1.00 H new ATOM 640 N ARG A 88 -3.538 -9.773 2.718 1.00 1.00 N ATOM 641 CA ARG A 88 -3.384 -11.138 2.139 1.00 1.00 C ATOM 642 C ARG A 88 -2.947 -12.117 3.230 1.00 1.00 C ATOM 643 O ARG A 88 -2.657 -11.732 4.346 1.00 1.00 O ATOM 644 CB ARG A 88 -2.328 -11.105 1.032 1.00 1.00 C ATOM 645 CG ARG A 88 -2.679 -12.138 -0.040 1.00 1.00 C ATOM 646 CD ARG A 88 -1.462 -13.023 -0.314 1.00 1.00 C ATOM 647 NE ARG A 88 -1.898 -14.270 -1.005 1.00 1.00 N ATOM 648 CZ ARG A 88 -1.266 -15.392 -0.789 1.00 1.00 C ATOM 649 NH1 ARG A 88 -1.554 -16.112 0.261 1.00 1.00 N ATOM 650 NH2 ARG A 88 -0.346 -15.793 -1.622 1.00 1.00 N ATOM 0 H ARG A 88 -2.745 -9.439 3.265 1.00 1.00 H new ATOM 0 HA ARG A 88 -4.339 -11.463 1.725 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -2.280 -10.110 0.591 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -1.343 -11.317 1.448 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -3.519 -12.749 0.290 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -2.990 -11.636 -0.956 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -0.741 -12.487 -0.930 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -0.961 -13.270 0.622 1.00 1.00 H new ATOM 0 HE ARG A 88 -2.690 -14.247 -1.647 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -2.273 -15.798 0.913 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -1.060 -16.988 0.429 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -0.120 -15.230 -2.442 1.00 1.00 H new ATOM 0 HH22 ARG A 88 0.148 -16.669 -1.453 1.00 1.00 H new ATOM 651 N SER A 89 -2.897 -13.383 2.915 1.00 1.00 N ATOM 652 CA SER A 89 -2.477 -14.390 3.930 1.00 1.00 C ATOM 653 C SER A 89 -0.955 -14.532 3.905 1.00 1.00 C ATOM 654 O SER A 89 -0.401 -15.488 4.412 1.00 1.00 O ATOM 655 CB SER A 89 -3.119 -15.739 3.603 1.00 1.00 C ATOM 656 OG SER A 89 -4.171 -15.994 4.525 1.00 1.00 O ATOM 0 H SER A 89 -3.129 -13.763 1.997 1.00 1.00 H new ATOM 0 HA SER A 89 -2.796 -14.065 4.920 1.00 1.00 H new ATOM 0 HB2 SER A 89 -3.506 -15.733 2.584 1.00 1.00 H new ATOM 0 HB3 SER A 89 -2.373 -16.532 3.656 1.00 1.00 H new ATOM 0 HG SER A 89 -4.586 -16.857 4.317 1.00 1.00 H new ATOM 657 N ASP A 90 -0.272 -13.587 3.319 1.00 1.00 N ATOM 658 CA ASP A 90 1.215 -13.665 3.263 1.00 1.00 C ATOM 659 C ASP A 90 1.812 -12.370 3.815 1.00 1.00 C ATOM 660 O ASP A 90 3.014 -12.217 3.900 1.00 1.00 O ATOM 661 CB ASP A 90 1.665 -13.856 1.812 1.00 1.00 C ATOM 662 CG ASP A 90 1.004 -15.108 1.230 1.00 1.00 C ATOM 663 OD1 ASP A 90 0.180 -15.692 1.913 1.00 1.00 O ATOM 664 OD2 ASP A 90 1.333 -15.461 0.109 1.00 1.00 O ATOM 0 H ASP A 90 -0.680 -12.764 2.876 1.00 1.00 H new ATOM 0 HA ASP A 90 1.557 -14.509 3.862 1.00 1.00 H new ATOM 0 HB2 ASP A 90 1.396 -12.982 1.219 1.00 1.00 H new ATOM 0 HB3 ASP A 90 2.750 -13.951 1.767 1.00 1.00 H new ATOM 665 N ALA A 91 0.983 -11.436 4.193 1.00 1.00 N ATOM 666 CA ALA A 91 1.507 -10.156 4.741 1.00 1.00 C ATOM 667 C ALA A 91 2.191 -10.425 6.077 1.00 1.00 C ATOM 668 O ALA A 91 2.898 -9.589 6.601 1.00 1.00 O ATOM 669 CB ALA A 91 0.351 -9.177 4.951 1.00 1.00 C ATOM 0 H ALA A 91 -0.034 -11.505 4.146 1.00 1.00 H new ATOM 0 HA ALA A 91 2.223 -9.725 4.041 1.00 1.00 H new ATOM 0 HB1 ALA A 91 0.736 -8.240 5.353 1.00 1.00 H new ATOM 0 HB2 ALA A 91 -0.143 -8.988 3.998 1.00 1.00 H new ATOM 0 HB3 ALA A 91 -0.365 -9.605 5.652 1.00 1.00 H new ATOM 670 N LEU A 92 1.989 -11.585 6.633 1.00 1.00 N ATOM 671 CA LEU A 92 2.637 -11.894 7.933 1.00 1.00 C ATOM 672 C LEU A 92 4.049 -12.429 7.700 1.00 1.00 C ATOM 673 O LEU A 92 4.876 -12.429 8.591 1.00 1.00 O ATOM 674 CB LEU A 92 1.818 -12.897 8.747 1.00 1.00 C ATOM 675 CG LEU A 92 1.214 -14.016 7.887 1.00 1.00 C ATOM 676 CD1 LEU A 92 -0.070 -13.531 7.210 1.00 1.00 C ATOM 677 CD2 LEU A 92 2.211 -14.503 6.830 1.00 1.00 C ATOM 0 H LEU A 92 1.407 -12.328 6.246 1.00 1.00 H new ATOM 0 HA LEU A 92 2.692 -10.969 8.507 1.00 1.00 H new ATOM 0 HB2 LEU A 92 2.454 -13.339 9.514 1.00 1.00 H new ATOM 0 HB3 LEU A 92 1.016 -12.369 9.263 1.00 1.00 H new ATOM 0 HG LEU A 92 0.978 -14.853 8.544 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -0.487 -14.335 6.603 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -0.794 -13.237 7.970 1.00 1.00 H new ATOM 0 HD13 LEU A 92 0.155 -12.675 6.573 1.00 1.00 H new ATOM 0 HD21 LEU A 92 1.754 -15.295 6.237 1.00 1.00 H new ATOM 0 HD22 LEU A 92 2.484 -13.673 6.178 1.00 1.00 H new ATOM 0 HD23 LEU A 92 3.104 -14.887 7.322 1.00 1.00 H new ATOM 678 N GLN A 93 4.343 -12.865 6.508 1.00 1.00 N ATOM 679 CA GLN A 93 5.709 -13.375 6.221 1.00 1.00 C ATOM 680 C GLN A 93 6.581 -12.184 5.840 1.00 1.00 C ATOM 681 O GLN A 93 7.750 -12.115 6.165 1.00 1.00 O ATOM 682 CB GLN A 93 5.653 -14.375 5.064 1.00 1.00 C ATOM 683 CG GLN A 93 5.577 -15.798 5.621 1.00 1.00 C ATOM 684 CD GLN A 93 6.938 -16.195 6.195 1.00 1.00 C ATOM 685 OE1 GLN A 93 7.388 -15.627 7.171 1.00 1.00 O ATOM 686 NE2 GLN A 93 7.618 -17.153 5.628 1.00 1.00 N ATOM 0 H GLN A 93 3.695 -12.890 5.720 1.00 1.00 H new ATOM 0 HA GLN A 93 6.121 -13.881 7.094 1.00 1.00 H new ATOM 0 HB2 GLN A 93 4.785 -14.172 4.436 1.00 1.00 H new ATOM 0 HB3 GLN A 93 6.535 -14.267 4.433 1.00 1.00 H new ATOM 0 HG2 GLN A 93 4.813 -15.856 6.396 1.00 1.00 H new ATOM 0 HG3 GLN A 93 5.286 -16.493 4.833 1.00 1.00 H new ATOM 0 HE21 GLN A 93 7.241 -17.630 4.809 1.00 1.00 H new ATOM 0 HE22 GLN A 93 8.526 -17.425 6.004 1.00 1.00 H new ATOM 687 N LEU A 94 6.001 -11.237 5.158 1.00 1.00 N ATOM 688 CA LEU A 94 6.757 -10.029 4.747 1.00 1.00 C ATOM 689 C LEU A 94 6.264 -8.831 5.561 1.00 1.00 C ATOM 690 O LEU A 94 6.732 -7.722 5.396 1.00 1.00 O ATOM 691 CB LEU A 94 6.512 -9.769 3.262 1.00 1.00 C ATOM 692 CG LEU A 94 6.941 -10.994 2.452 1.00 1.00 C ATOM 693 CD1 LEU A 94 8.320 -11.466 2.916 1.00 1.00 C ATOM 694 CD2 LEU A 94 5.925 -12.120 2.656 1.00 1.00 C ATOM 0 H LEU A 94 5.024 -11.252 4.866 1.00 1.00 H new ATOM 0 HA LEU A 94 7.822 -10.178 4.922 1.00 1.00 H new ATOM 0 HB2 LEU A 94 5.457 -9.556 3.088 1.00 1.00 H new ATOM 0 HB3 LEU A 94 7.072 -8.891 2.938 1.00 1.00 H new ATOM 0 HG LEU A 94 6.988 -10.728 1.396 1.00 1.00 H new ATOM 0 HD11 LEU A 94 8.620 -12.338 2.336 1.00 1.00 H new ATOM 0 HD12 LEU A 94 9.046 -10.666 2.771 1.00 1.00 H new ATOM 0 HD13 LEU A 94 8.278 -11.730 3.973 1.00 1.00 H new ATOM 0 HD21 LEU A 94 6.229 -12.994 2.079 1.00 1.00 H new ATOM 0 HD22 LEU A 94 5.879 -12.381 3.713 1.00 1.00 H new ATOM 0 HD23 LEU A 94 4.942 -11.788 2.321 1.00 1.00 H new ATOM 695 N GLY A 95 5.321 -9.044 6.443 1.00 1.00 N ATOM 696 CA GLY A 95 4.805 -7.916 7.266 1.00 1.00 C ATOM 697 C GLY A 95 4.418 -6.736 6.368 1.00 1.00 C ATOM 698 O GLY A 95 5.140 -5.764 6.264 1.00 1.00 O ATOM 0 H GLY A 95 4.889 -9.949 6.627 1.00 1.00 H new ATOM 0 HA2 GLY A 95 3.939 -8.243 7.841 1.00 1.00 H new ATOM 0 HA3 GLY A 95 5.564 -7.603 7.983 1.00 1.00 H new ATOM 699 N LEU A 96 3.275 -6.799 5.735 1.00 1.00 N ATOM 700 CA LEU A 96 2.841 -5.664 4.869 1.00 1.00 C ATOM 701 C LEU A 96 1.944 -4.742 5.704 1.00 1.00 C ATOM 702 O LEU A 96 2.138 -4.597 6.894 1.00 1.00 O ATOM 703 CB LEU A 96 2.054 -6.187 3.659 1.00 1.00 C ATOM 704 CG LEU A 96 2.860 -7.268 2.927 1.00 1.00 C ATOM 705 CD1 LEU A 96 1.901 -8.271 2.285 1.00 1.00 C ATOM 706 CD2 LEU A 96 3.709 -6.628 1.826 1.00 1.00 C ATOM 0 H LEU A 96 2.626 -7.585 5.780 1.00 1.00 H new ATOM 0 HA LEU A 96 3.714 -5.123 4.505 1.00 1.00 H new ATOM 0 HB2 LEU A 96 1.098 -6.596 3.987 1.00 1.00 H new ATOM 0 HB3 LEU A 96 1.832 -5.365 2.978 1.00 1.00 H new ATOM 0 HG LEU A 96 3.507 -7.773 3.644 1.00 1.00 H new ATOM 0 HD11 LEU A 96 2.473 -9.039 1.765 1.00 1.00 H new ATOM 0 HD12 LEU A 96 1.289 -8.735 3.058 1.00 1.00 H new ATOM 0 HD13 LEU A 96 1.257 -7.754 1.574 1.00 1.00 H new ATOM 0 HD21 LEU A 96 4.279 -7.401 1.310 1.00 1.00 H new ATOM 0 HD22 LEU A 96 3.059 -6.120 1.114 1.00 1.00 H new ATOM 0 HD23 LEU A 96 4.395 -5.906 2.269 1.00 1.00 H new ATOM 707 N GLY A 97 0.960 -4.127 5.105 1.00 1.00 N ATOM 708 CA GLY A 97 0.062 -3.232 5.897 1.00 1.00 C ATOM 709 C GLY A 97 -0.128 -1.897 5.173 1.00 1.00 C ATOM 710 O GLY A 97 -0.305 -1.849 3.974 1.00 1.00 O ATOM 0 H GLY A 97 0.739 -4.203 4.112 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -0.904 -3.714 6.046 1.00 1.00 H new ATOM 0 HA3 GLY A 97 0.488 -3.060 6.886 1.00 1.00 H new ATOM 711 N LYS A 98 -0.098 -0.811 5.895 1.00 1.00 N ATOM 712 CA LYS A 98 -0.281 0.519 5.247 1.00 1.00 C ATOM 713 C LYS A 98 1.059 1.256 5.210 1.00 1.00 C ATOM 714 O LYS A 98 1.295 2.177 5.966 1.00 1.00 O ATOM 715 CB LYS A 98 -1.294 1.343 6.047 1.00 1.00 C ATOM 716 CG LYS A 98 -1.657 2.606 5.264 1.00 1.00 C ATOM 717 CD LYS A 98 -2.187 3.671 6.227 1.00 1.00 C ATOM 718 CE LYS A 98 -2.014 5.057 5.603 1.00 1.00 C ATOM 719 NZ LYS A 98 -2.142 6.098 6.662 1.00 1.00 N ATOM 0 H LYS A 98 0.045 -0.787 6.905 1.00 1.00 H new ATOM 0 HA LYS A 98 -0.649 0.380 4.230 1.00 1.00 H new ATOM 0 HB2 LYS A 98 -2.189 0.752 6.239 1.00 1.00 H new ATOM 0 HB3 LYS A 98 -0.875 1.611 7.017 1.00 1.00 H new ATOM 0 HG2 LYS A 98 -0.782 2.983 4.735 1.00 1.00 H new ATOM 0 HG3 LYS A 98 -2.410 2.375 4.510 1.00 1.00 H new ATOM 0 HD2 LYS A 98 -3.239 3.488 6.445 1.00 1.00 H new ATOM 0 HD3 LYS A 98 -1.651 3.618 7.175 1.00 1.00 H new ATOM 0 HE2 LYS A 98 -1.039 5.131 5.121 1.00 1.00 H new ATOM 0 HE3 LYS A 98 -2.765 5.216 4.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 -2.024 7.040 6.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 -3.082 6.031 7.103 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 -1.409 5.950 7.385 1.00 1.00 H new ATOM 720 N HIS A 99 1.940 0.856 4.333 1.00 1.00 N ATOM 721 CA HIS A 99 3.265 1.532 4.245 1.00 1.00 C ATOM 722 C HIS A 99 3.838 1.341 2.840 1.00 1.00 C ATOM 723 O HIS A 99 3.190 0.806 1.962 1.00 1.00 O ATOM 724 CB HIS A 99 4.220 0.919 5.273 1.00 1.00 C ATOM 725 CG HIS A 99 4.199 -0.580 5.145 1.00 1.00 C ATOM 726 ND1 HIS A 99 5.361 -1.332 5.063 1.00 1.00 N ATOM 727 CD2 HIS A 99 3.165 -1.479 5.080 1.00 1.00 C ATOM 728 CE1 HIS A 99 5.000 -2.624 4.955 1.00 1.00 C ATOM 729 NE2 HIS A 99 3.672 -2.770 4.960 1.00 1.00 N ATOM 0 H HIS A 99 1.799 0.090 3.674 1.00 1.00 H new ATOM 0 HA HIS A 99 3.146 2.596 4.450 1.00 1.00 H new ATOM 0 HB2 HIS A 99 5.231 1.294 5.115 1.00 1.00 H new ATOM 0 HB3 HIS A 99 3.925 1.213 6.280 1.00 1.00 H new ATOM 0 HD1 HIS A 99 6.315 -0.972 5.081 1.00 1.00 H new ATOM 0 HD2 HIS A 99 2.116 -1.224 5.116 1.00 1.00 H new ATOM 0 HE1 HIS A 99 5.699 -3.443 4.874 1.00 1.00 H new ATOM 730 N ASN A 100 5.049 1.775 2.618 1.00 1.00 N ATOM 731 CA ASN A 100 5.660 1.616 1.269 1.00 1.00 C ATOM 732 C ASN A 100 7.076 1.053 1.413 1.00 1.00 C ATOM 733 O ASN A 100 8.046 1.679 1.034 1.00 1.00 O ATOM 734 CB ASN A 100 5.719 2.977 0.572 1.00 1.00 C ATOM 735 CG ASN A 100 6.147 4.048 1.578 1.00 1.00 C ATOM 736 OD1 ASN A 100 5.550 4.187 2.626 1.00 1.00 O ATOM 737 ND2 ASN A 100 7.165 4.817 1.301 1.00 1.00 N ATOM 0 H ASN A 100 5.640 2.232 3.312 1.00 1.00 H new ATOM 0 HA ASN A 100 5.056 0.930 0.675 1.00 1.00 H new ATOM 0 HB2 ASN A 100 6.423 2.942 -0.259 1.00 1.00 H new ATOM 0 HB3 ASN A 100 4.744 3.225 0.153 1.00 1.00 H new ATOM 0 HD21 ASN A 100 7.458 5.534 1.965 1.00 1.00 H new ATOM 0 HD22 ASN A 100 7.667 4.701 0.421 1.00 1.00 H new ATOM 738 N TYR A 101 7.201 -0.127 1.958 1.00 1.00 N ATOM 739 CA TYR A 101 8.553 -0.732 2.127 1.00 1.00 C ATOM 740 C TYR A 101 8.725 -1.880 1.131 1.00 1.00 C ATOM 741 O TYR A 101 8.132 -2.931 1.273 1.00 1.00 O ATOM 742 CB TYR A 101 8.696 -1.269 3.553 1.00 1.00 C ATOM 743 CG TYR A 101 9.417 -0.252 4.405 1.00 1.00 C ATOM 744 CD1 TYR A 101 9.240 1.116 4.162 1.00 1.00 C ATOM 745 CD2 TYR A 101 10.264 -0.677 5.438 1.00 1.00 C ATOM 746 CE1 TYR A 101 9.909 2.060 4.953 1.00 1.00 C ATOM 747 CE2 TYR A 101 10.933 0.267 6.228 1.00 1.00 C ATOM 748 CZ TYR A 101 10.756 1.636 5.985 1.00 1.00 C ATOM 749 OH TYR A 101 11.415 2.566 6.763 1.00 1.00 O ATOM 0 H TYR A 101 6.425 -0.698 2.293 1.00 1.00 H new ATOM 0 HA TYR A 101 9.316 0.025 1.945 1.00 1.00 H new ATOM 0 HB2 TYR A 101 7.713 -1.480 3.974 1.00 1.00 H new ATOM 0 HB3 TYR A 101 9.248 -2.209 3.545 1.00 1.00 H new ATOM 0 HD1 TYR A 101 8.588 1.443 3.365 1.00 1.00 H new ATOM 0 HD2 TYR A 101 10.401 -1.732 5.625 1.00 1.00 H new ATOM 0 HE1 TYR A 101 9.771 3.115 4.767 1.00 1.00 H new ATOM 0 HE2 TYR A 101 11.585 -0.060 7.024 1.00 1.00 H new ATOM 0 HH TYR A 101 11.961 2.104 7.433 1.00 1.00 H new ATOM 750 N CYS A 102 9.532 -1.690 0.124 1.00 1.00 N ATOM 751 CA CYS A 102 9.739 -2.773 -0.877 1.00 1.00 C ATOM 752 C CYS A 102 10.049 -4.084 -0.154 1.00 1.00 C ATOM 753 O CYS A 102 11.022 -4.194 0.565 1.00 1.00 O ATOM 754 CB CYS A 102 10.908 -2.405 -1.793 1.00 1.00 C ATOM 755 SG CYS A 102 10.296 -1.428 -3.188 1.00 1.00 S ATOM 0 H CYS A 102 10.056 -0.832 -0.049 1.00 1.00 H new ATOM 0 HA CYS A 102 8.835 -2.893 -1.474 1.00 1.00 H new ATOM 0 HB2 CYS A 102 11.655 -1.838 -1.237 1.00 1.00 H new ATOM 0 HB3 CYS A 102 11.399 -3.308 -2.155 1.00 1.00 H new ATOM 756 N ARG A 103 9.225 -5.080 -0.336 1.00 1.00 N ATOM 757 CA ARG A 103 9.469 -6.384 0.342 1.00 1.00 C ATOM 758 C ARG A 103 9.771 -7.458 -0.705 1.00 1.00 C ATOM 759 O ARG A 103 10.028 -7.163 -1.855 1.00 1.00 O ATOM 760 CB ARG A 103 8.223 -6.782 1.137 1.00 1.00 C ATOM 761 CG ARG A 103 8.434 -6.455 2.617 1.00 1.00 C ATOM 762 CD ARG A 103 7.906 -5.049 2.910 1.00 1.00 C ATOM 763 NE ARG A 103 7.387 -4.993 4.306 1.00 1.00 N ATOM 764 CZ ARG A 103 8.202 -4.745 5.294 1.00 1.00 C ATOM 765 NH1 ARG A 103 8.978 -5.689 5.753 1.00 1.00 N ATOM 766 NH2 ARG A 103 8.241 -3.553 5.824 1.00 1.00 N ATOM 0 H ARG A 103 8.393 -5.046 -0.925 1.00 1.00 H new ATOM 0 HA ARG A 103 10.319 -6.290 1.017 1.00 1.00 H new ATOM 0 HB2 ARG A 103 7.351 -6.250 0.757 1.00 1.00 H new ATOM 0 HB3 ARG A 103 8.025 -7.847 1.014 1.00 1.00 H new ATOM 0 HG2 ARG A 103 7.917 -7.186 3.239 1.00 1.00 H new ATOM 0 HG3 ARG A 103 9.493 -6.516 2.866 1.00 1.00 H new ATOM 0 HD2 ARG A 103 8.701 -4.315 2.777 1.00 1.00 H new ATOM 0 HD3 ARG A 103 7.114 -4.792 2.206 1.00 1.00 H new ATOM 0 HE ARG A 103 6.396 -5.148 4.489 1.00 1.00 H new ATOM 0 HH11 ARG A 103 8.947 -6.621 5.339 1.00 1.00 H new ATOM 0 HH12 ARG A 103 9.615 -5.495 6.525 1.00 1.00 H new ATOM 0 HH21 ARG A 103 7.634 -2.815 5.466 1.00 1.00 H new ATOM 0 HH22 ARG A 103 8.878 -3.359 6.597 1.00 1.00 H new ATOM 767 N ASN A 104 9.741 -8.703 -0.315 1.00 1.00 N ATOM 768 CA ASN A 104 10.026 -9.799 -1.284 1.00 1.00 C ATOM 769 C ASN A 104 9.329 -11.083 -0.817 1.00 1.00 C ATOM 770 O ASN A 104 9.982 -12.049 -0.476 1.00 1.00 O ATOM 771 CB ASN A 104 11.536 -10.037 -1.355 1.00 1.00 C ATOM 772 CG ASN A 104 11.875 -10.807 -2.634 1.00 1.00 C ATOM 773 OD1 ASN A 104 11.433 -10.449 -3.707 1.00 1.00 O ATOM 774 ND2 ASN A 104 12.647 -11.857 -2.563 1.00 1.00 N ATOM 0 H ASN A 104 9.531 -9.009 0.635 1.00 1.00 H new ATOM 0 HA ASN A 104 9.656 -9.520 -2.270 1.00 1.00 H new ATOM 0 HB2 ASN A 104 12.066 -9.084 -1.341 1.00 1.00 H new ATOM 0 HB3 ASN A 104 11.867 -10.599 -0.482 1.00 1.00 H new ATOM 0 HD21 ASN A 104 12.879 -12.377 -3.409 1.00 1.00 H new ATOM 0 HD22 ASN A 104 13.018 -12.157 -1.662 1.00 1.00 H new ATOM 775 N PRO A 105 8.019 -11.053 -0.816 1.00 1.00 N ATOM 776 CA PRO A 105 7.216 -12.196 -0.398 1.00 1.00 C ATOM 777 C PRO A 105 7.399 -13.366 -1.369 1.00 1.00 C ATOM 778 O PRO A 105 7.135 -14.505 -1.038 1.00 1.00 O ATOM 779 CB PRO A 105 5.777 -11.686 -0.435 1.00 1.00 C ATOM 780 CG PRO A 105 5.843 -10.503 -1.445 1.00 1.00 C ATOM 781 CD PRO A 105 7.247 -9.874 -1.238 1.00 1.00 C ATOM 0 HA PRO A 105 7.500 -12.565 0.588 1.00 1.00 H new ATOM 0 HB2 PRO A 105 5.084 -12.460 -0.766 1.00 1.00 H new ATOM 0 HB3 PRO A 105 5.441 -11.357 0.548 1.00 1.00 H new ATOM 0 HG2 PRO A 105 5.714 -10.852 -2.470 1.00 1.00 H new ATOM 0 HG3 PRO A 105 5.053 -9.777 -1.254 1.00 1.00 H new ATOM 0 HD2 PRO A 105 7.639 -9.429 -2.153 1.00 1.00 H new ATOM 0 HD3 PRO A 105 7.241 -9.091 -0.480 1.00 1.00 H new ATOM 782 N ASP A 106 7.846 -13.096 -2.564 1.00 1.00 N ATOM 783 CA ASP A 106 8.041 -14.194 -3.548 1.00 1.00 C ATOM 784 C ASP A 106 9.500 -14.661 -3.500 1.00 1.00 C ATOM 785 O ASP A 106 10.071 -14.821 -2.439 1.00 1.00 O ATOM 786 CB ASP A 106 7.695 -13.681 -4.948 1.00 1.00 C ATOM 787 CG ASP A 106 7.331 -14.863 -5.849 1.00 1.00 C ATOM 788 OD1 ASP A 106 7.633 -15.983 -5.474 1.00 1.00 O ATOM 789 OD2 ASP A 106 6.755 -14.627 -6.899 1.00 1.00 O ATOM 0 H ASP A 106 8.084 -12.163 -2.900 1.00 1.00 H new ATOM 0 HA ASP A 106 7.391 -15.035 -3.306 1.00 1.00 H new ATOM 0 HB2 ASP A 106 6.862 -12.981 -4.895 1.00 1.00 H new ATOM 0 HB3 ASP A 106 8.542 -13.138 -5.367 1.00 1.00 H new ATOM 790 N ASN A 107 10.113 -14.886 -4.632 1.00 1.00 N ATOM 791 CA ASN A 107 11.531 -15.344 -4.630 1.00 1.00 C ATOM 792 C ASN A 107 12.351 -14.484 -5.593 1.00 1.00 C ATOM 793 O ASN A 107 13.050 -14.989 -6.449 1.00 1.00 O ATOM 794 CB ASN A 107 11.594 -16.807 -5.073 1.00 1.00 C ATOM 795 CG ASN A 107 12.682 -17.534 -4.280 1.00 1.00 C ATOM 796 OD1 ASN A 107 12.851 -17.296 -3.100 1.00 1.00 O ATOM 797 ND2 ASN A 107 13.432 -18.416 -4.881 1.00 1.00 N ATOM 0 H ASN A 107 9.694 -14.773 -5.555 1.00 1.00 H new ATOM 0 HA ASN A 107 11.940 -15.249 -3.624 1.00 1.00 H new ATOM 0 HB2 ASN A 107 10.629 -17.288 -4.913 1.00 1.00 H new ATOM 0 HB3 ASN A 107 11.806 -16.866 -6.140 1.00 1.00 H new ATOM 0 HD21 ASN A 107 14.160 -18.906 -4.361 1.00 1.00 H new ATOM 0 HD22 ASN A 107 13.290 -18.616 -5.871 1.00 1.00 H new ATOM 798 N ARG A 108 12.272 -13.189 -5.460 1.00 1.00 N ATOM 799 CA ARG A 108 13.049 -12.299 -6.369 1.00 1.00 C ATOM 800 C ARG A 108 14.433 -12.039 -5.769 1.00 1.00 C ATOM 801 O ARG A 108 14.593 -11.942 -4.569 1.00 1.00 O ATOM 802 CB ARG A 108 12.308 -10.972 -6.537 1.00 1.00 C ATOM 803 CG ARG A 108 11.830 -10.833 -7.983 1.00 1.00 C ATOM 804 CD ARG A 108 10.602 -11.718 -8.203 1.00 1.00 C ATOM 805 NE ARG A 108 10.733 -12.436 -9.502 1.00 1.00 N ATOM 806 CZ ARG A 108 9.929 -12.150 -10.489 1.00 1.00 C ATOM 807 NH1 ARG A 108 9.836 -10.921 -10.920 1.00 1.00 N ATOM 808 NH2 ARG A 108 9.218 -13.092 -11.046 1.00 1.00 N ATOM 0 H ARG A 108 11.704 -12.709 -4.762 1.00 1.00 H new ATOM 0 HA ARG A 108 13.160 -12.779 -7.341 1.00 1.00 H new ATOM 0 HB2 ARG A 108 11.458 -10.930 -5.856 1.00 1.00 H new ATOM 0 HB3 ARG A 108 12.965 -10.141 -6.279 1.00 1.00 H new ATOM 0 HG2 ARG A 108 11.585 -9.793 -8.197 1.00 1.00 H new ATOM 0 HG3 ARG A 108 12.626 -11.121 -8.669 1.00 1.00 H new ATOM 0 HD2 ARG A 108 10.506 -12.435 -7.387 1.00 1.00 H new ATOM 0 HD3 ARG A 108 9.697 -11.110 -8.201 1.00 1.00 H new ATOM 0 HE ARG A 108 11.451 -13.151 -9.620 1.00 1.00 H new ATOM 0 HH11 ARG A 108 10.392 -10.185 -10.485 1.00 1.00 H new ATOM 0 HH12 ARG A 108 9.208 -10.697 -11.692 1.00 1.00 H new ATOM 0 HH21 ARG A 108 9.291 -14.052 -10.710 1.00 1.00 H new ATOM 0 HH22 ARG A 108 8.590 -12.868 -11.818 1.00 1.00 H new ATOM 809 N ARG A 109 15.435 -11.926 -6.598 1.00 1.00 N ATOM 810 CA ARG A 109 16.808 -11.673 -6.077 1.00 1.00 C ATOM 811 C ARG A 109 16.842 -10.323 -5.358 1.00 1.00 C ATOM 812 O ARG A 109 17.781 -10.007 -4.654 1.00 1.00 O ATOM 813 CB ARG A 109 17.798 -11.654 -7.244 1.00 1.00 C ATOM 814 CG ARG A 109 19.036 -12.474 -6.876 1.00 1.00 C ATOM 815 CD ARG A 109 19.560 -13.193 -8.121 1.00 1.00 C ATOM 816 NE ARG A 109 18.623 -14.291 -8.492 1.00 1.00 N ATOM 817 CZ ARG A 109 18.830 -15.502 -8.053 1.00 1.00 C ATOM 818 NH1 ARG A 109 19.583 -15.696 -7.005 1.00 1.00 N ATOM 819 NH2 ARG A 109 18.285 -16.519 -8.662 1.00 1.00 N ATOM 0 H ARG A 109 15.362 -11.998 -7.613 1.00 1.00 H new ATOM 0 HA ARG A 109 17.083 -12.463 -5.378 1.00 1.00 H new ATOM 0 HB2 ARG A 109 17.330 -12.064 -8.139 1.00 1.00 H new ATOM 0 HB3 ARG A 109 18.084 -10.628 -7.476 1.00 1.00 H new ATOM 0 HG2 ARG A 109 19.808 -11.823 -6.467 1.00 1.00 H new ATOM 0 HG3 ARG A 109 18.788 -13.200 -6.101 1.00 1.00 H new ATOM 0 HD2 ARG A 109 19.657 -12.489 -8.947 1.00 1.00 H new ATOM 0 HD3 ARG A 109 20.554 -13.598 -7.929 1.00 1.00 H new ATOM 0 HE ARG A 109 17.820 -14.096 -9.089 1.00 1.00 H new ATOM 0 HH11 ARG A 109 20.010 -14.901 -6.529 1.00 1.00 H new ATOM 0 HH12 ARG A 109 19.745 -16.643 -6.662 1.00 1.00 H new ATOM 0 HH21 ARG A 109 17.697 -16.367 -9.482 1.00 1.00 H new ATOM 0 HH22 ARG A 109 18.447 -17.466 -8.319 1.00 1.00 H new ATOM 820 N ARG A 110 15.826 -9.523 -5.528 1.00 1.00 N ATOM 821 CA ARG A 110 15.801 -8.194 -4.854 1.00 1.00 C ATOM 822 C ARG A 110 14.389 -7.913 -4.329 1.00 1.00 C ATOM 823 O ARG A 110 13.426 -8.460 -4.829 1.00 1.00 O ATOM 824 CB ARG A 110 16.198 -7.107 -5.856 1.00 1.00 C ATOM 825 CG ARG A 110 17.436 -7.557 -6.634 1.00 1.00 C ATOM 826 CD ARG A 110 17.015 -8.072 -8.011 1.00 1.00 C ATOM 827 NE ARG A 110 17.880 -7.456 -9.056 1.00 1.00 N ATOM 828 CZ ARG A 110 18.767 -8.183 -9.679 1.00 1.00 C ATOM 829 NH1 ARG A 110 18.439 -9.359 -10.140 1.00 1.00 N ATOM 830 NH2 ARG A 110 19.982 -7.734 -9.842 1.00 1.00 N ATOM 0 H ARG A 110 15.011 -9.732 -6.105 1.00 1.00 H new ATOM 0 HA ARG A 110 16.504 -8.196 -4.021 1.00 1.00 H new ATOM 0 HB2 ARG A 110 15.374 -6.913 -6.543 1.00 1.00 H new ATOM 0 HB3 ARG A 110 16.404 -6.173 -5.333 1.00 1.00 H new ATOM 0 HG2 ARG A 110 18.132 -6.725 -6.742 1.00 1.00 H new ATOM 0 HG3 ARG A 110 17.958 -8.341 -6.085 1.00 1.00 H new ATOM 0 HD2 ARG A 110 17.100 -9.158 -8.047 1.00 1.00 H new ATOM 0 HD3 ARG A 110 15.969 -7.828 -8.199 1.00 1.00 H new ATOM 0 HE ARG A 110 17.779 -6.467 -9.284 1.00 1.00 H new ATOM 0 HH11 ARG A 110 17.490 -9.710 -10.013 1.00 1.00 H new ATOM 0 HH12 ARG A 110 19.132 -9.927 -10.627 1.00 1.00 H new ATOM 0 HH21 ARG A 110 20.238 -6.815 -9.482 1.00 1.00 H new ATOM 0 HH22 ARG A 110 20.675 -8.303 -10.329 1.00 1.00 H new ATOM 831 N PRO A 111 14.309 -7.063 -3.335 1.00 1.00 N ATOM 832 CA PRO A 111 13.034 -6.698 -2.736 1.00 1.00 C ATOM 833 C PRO A 111 12.223 -5.837 -3.708 1.00 1.00 C ATOM 834 O PRO A 111 12.582 -4.718 -4.012 1.00 1.00 O ATOM 835 CB PRO A 111 13.410 -5.904 -1.489 1.00 1.00 C ATOM 836 CG PRO A 111 14.831 -5.349 -1.823 1.00 1.00 C ATOM 837 CD PRO A 111 15.490 -6.413 -2.747 1.00 1.00 C ATOM 0 HA PRO A 111 12.417 -7.564 -2.498 1.00 1.00 H new ATOM 0 HB2 PRO A 111 12.700 -5.099 -1.297 1.00 1.00 H new ATOM 0 HB3 PRO A 111 13.425 -6.535 -0.601 1.00 1.00 H new ATOM 0 HG2 PRO A 111 14.767 -4.382 -2.322 1.00 1.00 H new ATOM 0 HG3 PRO A 111 15.417 -5.201 -0.916 1.00 1.00 H new ATOM 0 HD2 PRO A 111 16.128 -5.959 -3.505 1.00 1.00 H new ATOM 0 HD3 PRO A 111 16.109 -7.115 -2.188 1.00 1.00 H new ATOM 838 N TRP A 112 11.134 -6.358 -4.202 1.00 1.00 N ATOM 839 CA TRP A 112 10.297 -5.583 -5.161 1.00 1.00 C ATOM 840 C TRP A 112 9.037 -5.082 -4.456 1.00 1.00 C ATOM 841 O TRP A 112 8.888 -5.214 -3.257 1.00 1.00 O ATOM 842 CB TRP A 112 9.897 -6.492 -6.319 1.00 1.00 C ATOM 843 CG TRP A 112 9.404 -7.786 -5.770 1.00 1.00 C ATOM 844 CD1 TRP A 112 10.140 -8.912 -5.669 1.00 1.00 C ATOM 845 CD2 TRP A 112 8.087 -8.105 -5.240 1.00 1.00 C ATOM 846 NE1 TRP A 112 9.356 -9.911 -5.118 1.00 1.00 N ATOM 847 CE2 TRP A 112 8.081 -9.460 -4.835 1.00 1.00 C ATOM 848 CE3 TRP A 112 6.908 -7.355 -5.075 1.00 1.00 C ATOM 849 CZ2 TRP A 112 6.941 -10.050 -4.287 1.00 1.00 C ATOM 850 CZ3 TRP A 112 5.760 -7.944 -4.524 1.00 1.00 C ATOM 851 CH2 TRP A 112 5.777 -9.289 -4.131 1.00 1.00 C ATOM 0 H TRP A 112 10.786 -7.291 -3.982 1.00 1.00 H new ATOM 0 HA TRP A 112 10.865 -4.731 -5.535 1.00 1.00 H new ATOM 0 HB2 TRP A 112 9.121 -6.018 -6.920 1.00 1.00 H new ATOM 0 HB3 TRP A 112 10.750 -6.662 -6.976 1.00 1.00 H new ATOM 0 HD1 TRP A 112 11.172 -9.017 -5.969 1.00 1.00 H new ATOM 0 HE1 TRP A 112 9.680 -10.862 -4.943 1.00 1.00 H new ATOM 0 HE3 TRP A 112 6.887 -6.318 -5.375 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 6.957 -11.087 -3.985 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 4.860 -7.359 -4.402 1.00 1.00 H new ATOM 0 HH2 TRP A 112 4.891 -9.739 -3.707 1.00 1.00 H new ATOM 852 N CYS A 113 8.125 -4.511 -5.194 1.00 1.00 N ATOM 853 CA CYS A 113 6.870 -4.004 -4.572 1.00 1.00 C ATOM 854 C CYS A 113 5.832 -3.740 -5.664 1.00 1.00 C ATOM 855 O CYS A 113 6.165 -3.497 -6.803 1.00 1.00 O ATOM 856 CB CYS A 113 7.161 -2.700 -3.827 1.00 1.00 C ATOM 857 SG CYS A 113 7.727 -1.444 -5.001 1.00 1.00 S ATOM 0 H CYS A 113 8.195 -4.374 -6.202 1.00 1.00 H new ATOM 0 HA CYS A 113 6.486 -4.747 -3.873 1.00 1.00 H new ATOM 0 HB2 CYS A 113 6.264 -2.355 -3.314 1.00 1.00 H new ATOM 0 HB3 CYS A 113 7.921 -2.867 -3.063 1.00 1.00 H new ATOM 858 N TYR A 114 4.576 -3.774 -5.326 1.00 1.00 N ATOM 859 CA TYR A 114 3.530 -3.507 -6.350 1.00 1.00 C ATOM 860 C TYR A 114 3.607 -2.032 -6.755 1.00 1.00 C ATOM 861 O TYR A 114 2.961 -1.185 -6.172 1.00 1.00 O ATOM 862 CB TYR A 114 2.154 -3.819 -5.756 1.00 1.00 C ATOM 863 CG TYR A 114 1.907 -5.309 -5.806 1.00 1.00 C ATOM 864 CD1 TYR A 114 1.819 -5.963 -7.042 1.00 1.00 C ATOM 865 CD2 TYR A 114 1.767 -6.036 -4.617 1.00 1.00 C ATOM 866 CE1 TYR A 114 1.591 -7.344 -7.089 1.00 1.00 C ATOM 867 CE2 TYR A 114 1.538 -7.418 -4.664 1.00 1.00 C ATOM 868 CZ TYR A 114 1.450 -8.072 -5.900 1.00 1.00 C ATOM 869 OH TYR A 114 1.225 -9.433 -5.946 1.00 1.00 O ATOM 0 H TYR A 114 4.228 -3.974 -4.388 1.00 1.00 H new ATOM 0 HA TYR A 114 3.687 -4.134 -7.228 1.00 1.00 H new ATOM 0 HB2 TYR A 114 2.103 -3.466 -4.726 1.00 1.00 H new ATOM 0 HB3 TYR A 114 1.379 -3.293 -6.312 1.00 1.00 H new ATOM 0 HD1 TYR A 114 1.927 -5.402 -7.959 1.00 1.00 H new ATOM 0 HD2 TYR A 114 1.835 -5.532 -3.664 1.00 1.00 H new ATOM 0 HE1 TYR A 114 1.524 -7.848 -8.042 1.00 1.00 H new ATOM 0 HE2 TYR A 114 1.429 -7.979 -3.747 1.00 1.00 H new ATOM 0 HH TYR A 114 1.857 -9.889 -5.352 1.00 1.00 H new ATOM 870 N VAL A 115 4.399 -1.713 -7.746 1.00 1.00 N ATOM 871 CA VAL A 115 4.507 -0.288 -8.171 1.00 1.00 C ATOM 872 C VAL A 115 3.725 -0.091 -9.468 1.00 1.00 C ATOM 873 O VAL A 115 3.859 -0.845 -10.411 1.00 1.00 O ATOM 874 CB VAL A 115 5.980 0.098 -8.371 1.00 1.00 C ATOM 875 CG1 VAL A 115 6.572 -0.646 -9.566 1.00 1.00 C ATOM 876 CG2 VAL A 115 6.077 1.603 -8.622 1.00 1.00 C ATOM 0 H VAL A 115 4.971 -2.372 -8.275 1.00 1.00 H new ATOM 0 HA VAL A 115 4.089 0.354 -7.396 1.00 1.00 H new ATOM 0 HB VAL A 115 6.538 -0.172 -7.474 1.00 1.00 H new ATOM 0 HG11 VAL A 115 7.616 -0.360 -9.692 1.00 1.00 H new ATOM 0 HG12 VAL A 115 6.509 -1.720 -9.393 1.00 1.00 H new ATOM 0 HG13 VAL A 115 6.014 -0.390 -10.467 1.00 1.00 H new ATOM 0 HG21 VAL A 115 7.121 1.882 -8.765 1.00 1.00 H new ATOM 0 HG22 VAL A 115 5.508 1.860 -9.515 1.00 1.00 H new ATOM 0 HG23 VAL A 115 5.672 2.142 -7.766 1.00 1.00 H new ATOM 877 N GLN A 116 2.892 0.910 -9.510 1.00 1.00 N ATOM 878 CA GLN A 116 2.077 1.157 -10.730 1.00 1.00 C ATOM 879 C GLN A 116 2.962 1.104 -11.974 1.00 1.00 C ATOM 880 O GLN A 116 3.896 1.867 -12.121 1.00 1.00 O ATOM 881 CB GLN A 116 1.421 2.534 -10.631 1.00 1.00 C ATOM 882 CG GLN A 116 -0.096 2.371 -10.525 1.00 1.00 C ATOM 883 CD GLN A 116 -0.779 3.252 -11.572 1.00 1.00 C ATOM 884 OE1 GLN A 116 -0.161 3.662 -12.534 1.00 1.00 O ATOM 885 NE2 GLN A 116 -2.038 3.562 -11.424 1.00 1.00 N ATOM 0 H GLN A 116 2.740 1.571 -8.748 1.00 1.00 H new ATOM 0 HA GLN A 116 1.309 0.387 -10.807 1.00 1.00 H new ATOM 0 HB2 GLN A 116 1.802 3.068 -9.760 1.00 1.00 H new ATOM 0 HB3 GLN A 116 1.673 3.132 -11.507 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -0.372 1.327 -10.677 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -0.433 2.648 -9.526 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -2.556 3.217 -10.616 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -2.504 4.149 -12.116 1.00 1.00 H new ATOM 886 N VAL A 117 2.662 0.215 -12.879 1.00 1.00 N ATOM 887 CA VAL A 117 3.469 0.115 -14.126 1.00 1.00 C ATOM 888 C VAL A 117 2.590 0.497 -15.313 1.00 1.00 C ATOM 889 O VAL A 117 2.898 0.207 -16.452 1.00 1.00 O ATOM 890 CB VAL A 117 3.977 -1.316 -14.309 1.00 1.00 C ATOM 891 CG1 VAL A 117 4.846 -1.391 -15.566 1.00 1.00 C ATOM 892 CG2 VAL A 117 4.810 -1.722 -13.091 1.00 1.00 C ATOM 0 H VAL A 117 1.890 -0.448 -12.808 1.00 1.00 H new ATOM 0 HA VAL A 117 4.324 0.787 -14.061 1.00 1.00 H new ATOM 0 HB VAL A 117 3.128 -1.992 -14.411 1.00 1.00 H new ATOM 0 HG11 VAL A 117 5.209 -2.410 -15.697 1.00 1.00 H new ATOM 0 HG12 VAL A 117 4.255 -1.101 -16.435 1.00 1.00 H new ATOM 0 HG13 VAL A 117 5.695 -0.715 -15.463 1.00 1.00 H new ATOM 0 HG21 VAL A 117 5.172 -2.742 -13.221 1.00 1.00 H new ATOM 0 HG22 VAL A 117 5.659 -1.046 -12.989 1.00 1.00 H new ATOM 0 HG23 VAL A 117 4.193 -1.668 -12.194 1.00 1.00 H new ATOM 893 N GLY A 118 1.496 1.151 -15.049 1.00 1.00 N ATOM 894 CA GLY A 118 0.588 1.564 -16.153 1.00 1.00 C ATOM 895 C GLY A 118 -0.780 0.909 -15.982 1.00 1.00 C ATOM 896 O GLY A 118 -1.640 1.413 -15.288 1.00 1.00 O ATOM 0 H GLY A 118 1.190 1.418 -14.113 1.00 1.00 H new ATOM 0 HA2 GLY A 118 0.482 2.649 -16.160 1.00 1.00 H new ATOM 0 HA3 GLY A 118 1.018 1.280 -17.113 1.00 1.00 H new ATOM 897 N LEU A 119 -0.991 -0.207 -16.616 1.00 1.00 N ATOM 898 CA LEU A 119 -2.307 -0.890 -16.498 1.00 1.00 C ATOM 899 C LEU A 119 -2.609 -1.174 -15.028 1.00 1.00 C ATOM 900 O LEU A 119 -3.640 -0.794 -14.509 1.00 1.00 O ATOM 901 CB LEU A 119 -2.266 -2.212 -17.268 1.00 1.00 C ATOM 902 CG LEU A 119 -1.461 -2.030 -18.555 1.00 1.00 C ATOM 903 CD1 LEU A 119 -0.116 -2.748 -18.419 1.00 1.00 C ATOM 904 CD2 LEU A 119 -2.241 -2.621 -19.729 1.00 1.00 C ATOM 0 H LEU A 119 -0.309 -0.677 -17.212 1.00 1.00 H new ATOM 0 HA LEU A 119 -3.084 -0.247 -16.912 1.00 1.00 H new ATOM 0 HB2 LEU A 119 -1.815 -2.990 -16.652 1.00 1.00 H new ATOM 0 HB3 LEU A 119 -3.279 -2.539 -17.504 1.00 1.00 H new ATOM 0 HG LEU A 119 -1.289 -0.968 -18.732 1.00 1.00 H new ATOM 0 HD11 LEU A 119 0.459 -2.619 -19.336 1.00 1.00 H new ATOM 0 HD12 LEU A 119 0.438 -2.326 -17.580 1.00 1.00 H new ATOM 0 HD13 LEU A 119 -0.287 -3.810 -18.244 1.00 1.00 H new ATOM 0 HD21 LEU A 119 -1.669 -2.492 -20.648 1.00 1.00 H new ATOM 0 HD22 LEU A 119 -2.412 -3.683 -19.554 1.00 1.00 H new ATOM 0 HD23 LEU A 119 -3.199 -2.110 -19.824 1.00 1.00 H new ATOM 905 N LYS A 120 -1.721 -1.850 -14.355 1.00 1.00 N ATOM 906 CA LYS A 120 -1.963 -2.172 -12.916 1.00 1.00 C ATOM 907 C LYS A 120 -0.631 -2.211 -12.159 1.00 1.00 C ATOM 908 O LYS A 120 0.419 -2.303 -12.763 1.00 1.00 O ATOM 909 CB LYS A 120 -2.649 -3.538 -12.801 1.00 1.00 C ATOM 910 CG LYS A 120 -3.396 -3.858 -14.098 1.00 1.00 C ATOM 911 CD LYS A 120 -3.872 -5.311 -14.068 1.00 1.00 C ATOM 912 CE LYS A 120 -5.320 -5.385 -14.552 1.00 1.00 C ATOM 913 NZ LYS A 120 -6.222 -4.819 -13.509 1.00 1.00 N ATOM 0 H LYS A 120 -0.839 -2.194 -14.735 1.00 1.00 H new ATOM 0 HA LYS A 120 -2.603 -1.403 -12.484 1.00 1.00 H new ATOM 0 HB2 LYS A 120 -1.908 -4.311 -12.598 1.00 1.00 H new ATOM 0 HB3 LYS A 120 -3.345 -3.536 -11.962 1.00 1.00 H new ATOM 0 HG2 LYS A 120 -4.248 -3.188 -14.214 1.00 1.00 H new ATOM 0 HG3 LYS A 120 -2.743 -3.696 -14.956 1.00 1.00 H new ATOM 0 HD2 LYS A 120 -3.234 -5.927 -14.702 1.00 1.00 H new ATOM 0 HD3 LYS A 120 -3.795 -5.709 -13.056 1.00 1.00 H new ATOM 0 HE2 LYS A 120 -5.432 -4.831 -15.484 1.00 1.00 H new ATOM 0 HE3 LYS A 120 -5.592 -6.419 -14.761 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 -7.181 -5.202 -13.634 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 -5.867 -5.076 -12.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 -6.249 -3.783 -13.598 1.00 1.00 H new ATOM 914 N PRO A 121 -0.718 -2.158 -10.852 1.00 1.00 N ATOM 915 CA PRO A 121 0.461 -2.207 -10.000 1.00 1.00 C ATOM 916 C PRO A 121 1.285 -3.454 -10.320 1.00 1.00 C ATOM 917 O PRO A 121 0.993 -4.536 -9.852 1.00 1.00 O ATOM 918 CB PRO A 121 -0.089 -2.296 -8.580 1.00 1.00 C ATOM 919 CG PRO A 121 -1.521 -1.686 -8.704 1.00 1.00 C ATOM 920 CD PRO A 121 -2.000 -2.037 -10.142 1.00 1.00 C ATOM 0 HA PRO A 121 1.110 -1.343 -10.140 1.00 1.00 H new ATOM 0 HB2 PRO A 121 -0.121 -3.326 -8.226 1.00 1.00 H new ATOM 0 HB3 PRO A 121 0.526 -1.736 -7.876 1.00 1.00 H new ATOM 0 HG2 PRO A 121 -2.192 -2.105 -7.954 1.00 1.00 H new ATOM 0 HG3 PRO A 121 -1.503 -0.607 -8.549 1.00 1.00 H new ATOM 0 HD2 PRO A 121 -2.574 -2.963 -10.169 1.00 1.00 H new ATOM 0 HD3 PRO A 121 -2.633 -1.257 -10.566 1.00 1.00 H new ATOM 921 N LEU A 122 2.316 -3.314 -11.100 1.00 1.00 N ATOM 922 CA LEU A 122 3.156 -4.497 -11.430 1.00 1.00 C ATOM 923 C LEU A 122 4.329 -4.538 -10.455 1.00 1.00 C ATOM 924 O LEU A 122 4.992 -3.544 -10.232 1.00 1.00 O ATOM 925 CB LEU A 122 3.679 -4.376 -12.863 1.00 1.00 C ATOM 926 CG LEU A 122 3.289 -5.623 -13.659 1.00 1.00 C ATOM 927 CD1 LEU A 122 3.822 -6.871 -12.953 1.00 1.00 C ATOM 928 CD2 LEU A 122 1.765 -5.708 -13.759 1.00 1.00 C ATOM 0 H LEU A 122 2.614 -2.435 -11.523 1.00 1.00 H new ATOM 0 HA LEU A 122 2.567 -5.411 -11.348 1.00 1.00 H new ATOM 0 HB2 LEU A 122 3.266 -3.486 -13.337 1.00 1.00 H new ATOM 0 HB3 LEU A 122 4.763 -4.261 -12.857 1.00 1.00 H new ATOM 0 HG LEU A 122 3.718 -5.562 -14.659 1.00 1.00 H new ATOM 0 HD11 LEU A 122 3.543 -7.758 -13.522 1.00 1.00 H new ATOM 0 HD12 LEU A 122 4.908 -6.813 -12.881 1.00 1.00 H new ATOM 0 HD13 LEU A 122 3.395 -6.933 -11.952 1.00 1.00 H new ATOM 0 HD21 LEU A 122 1.487 -6.596 -14.326 1.00 1.00 H new ATOM 0 HD22 LEU A 122 1.337 -5.768 -12.758 1.00 1.00 H new ATOM 0 HD23 LEU A 122 1.383 -4.821 -14.264 1.00 1.00 H new ATOM 929 N VAL A 123 4.593 -5.668 -9.862 1.00 1.00 N ATOM 930 CA VAL A 123 5.729 -5.721 -8.903 1.00 1.00 C ATOM 931 C VAL A 123 7.020 -5.440 -9.664 1.00 1.00 C ATOM 932 O VAL A 123 7.183 -5.837 -10.801 1.00 1.00 O ATOM 933 CB VAL A 123 5.806 -7.088 -8.185 1.00 1.00 C ATOM 934 CG1 VAL A 123 4.461 -7.810 -8.278 1.00 1.00 C ATOM 935 CG2 VAL A 123 6.913 -7.969 -8.795 1.00 1.00 C ATOM 0 H VAL A 123 4.083 -6.541 -9.996 1.00 1.00 H new ATOM 0 HA VAL A 123 5.578 -4.966 -8.131 1.00 1.00 H new ATOM 0 HB VAL A 123 6.046 -6.906 -7.137 1.00 1.00 H new ATOM 0 HG11 VAL A 123 4.528 -8.771 -7.769 1.00 1.00 H new ATOM 0 HG12 VAL A 123 3.689 -7.203 -7.806 1.00 1.00 H new ATOM 0 HG13 VAL A 123 4.206 -7.971 -9.325 1.00 1.00 H new ATOM 0 HG21 VAL A 123 6.947 -8.925 -8.272 1.00 1.00 H new ATOM 0 HG22 VAL A 123 6.702 -8.140 -9.851 1.00 1.00 H new ATOM 0 HG23 VAL A 123 7.875 -7.466 -8.694 1.00 1.00 H new ATOM 936 N GLN A 124 7.936 -4.761 -9.050 1.00 1.00 N ATOM 937 CA GLN A 124 9.210 -4.462 -9.741 1.00 1.00 C ATOM 938 C GLN A 124 10.345 -4.481 -8.718 1.00 1.00 C ATOM 939 O GLN A 124 10.137 -4.268 -7.539 1.00 1.00 O ATOM 940 CB GLN A 124 9.092 -3.089 -10.437 1.00 1.00 C ATOM 941 CG GLN A 124 9.816 -1.992 -9.646 1.00 1.00 C ATOM 942 CD GLN A 124 9.301 -1.960 -8.206 1.00 1.00 C ATOM 943 OE1 GLN A 124 8.069 -2.286 -7.956 1.00 1.00 O flip ATOM 944 NE2 GLN A 124 10.039 -1.663 -7.293 1.00 1.00 N flip ATOM 0 H GLN A 124 7.859 -4.400 -8.099 1.00 1.00 H new ATOM 0 HA GLN A 124 9.426 -5.211 -10.502 1.00 1.00 H new ATOM 0 HB2 GLN A 124 9.512 -3.152 -11.441 1.00 1.00 H new ATOM 0 HB3 GLN A 124 8.040 -2.825 -10.547 1.00 1.00 H new ATOM 0 HG2 GLN A 124 10.890 -2.176 -9.653 1.00 1.00 H new ATOM 0 HG3 GLN A 124 9.655 -1.024 -10.120 1.00 1.00 H new ATOM 0 HE21 GLN A 124 11.008 -1.406 -7.483 1.00 1.00 H new ATOM 0 HE22 GLN A 124 9.692 -1.670 -6.334 1.00 1.00 H new ATOM 945 N GLU A 125 11.539 -4.727 -9.156 1.00 1.00 N ATOM 946 CA GLU A 125 12.681 -4.749 -8.210 1.00 1.00 C ATOM 947 C GLU A 125 12.944 -3.323 -7.731 1.00 1.00 C ATOM 948 O GLU A 125 13.333 -2.471 -8.502 1.00 1.00 O ATOM 949 CB GLU A 125 13.914 -5.281 -8.935 1.00 1.00 C ATOM 950 CG GLU A 125 13.537 -6.557 -9.683 1.00 1.00 C ATOM 951 CD GLU A 125 14.771 -7.127 -10.385 1.00 1.00 C ATOM 952 OE1 GLU A 125 15.503 -6.351 -10.977 1.00 1.00 O ATOM 953 OE2 GLU A 125 14.963 -8.330 -10.318 1.00 1.00 O ATOM 0 H GLU A 125 11.776 -4.915 -10.130 1.00 1.00 H new ATOM 0 HA GLU A 125 12.457 -5.389 -7.357 1.00 1.00 H new ATOM 0 HB2 GLU A 125 14.293 -4.534 -9.632 1.00 1.00 H new ATOM 0 HB3 GLU A 125 14.712 -5.485 -8.221 1.00 1.00 H new ATOM 0 HG2 GLU A 125 13.131 -7.291 -8.987 1.00 1.00 H new ATOM 0 HG3 GLU A 125 12.757 -6.345 -10.414 1.00 1.00 H new ATOM 954 N CYS A 126 12.733 -3.046 -6.473 1.00 1.00 N ATOM 955 CA CYS A 126 12.981 -1.663 -5.979 1.00 1.00 C ATOM 956 C CYS A 126 14.318 -1.181 -6.544 1.00 1.00 C ATOM 957 O CYS A 126 14.358 -0.387 -7.455 1.00 1.00 O ATOM 958 CB CYS A 126 13.035 -1.659 -4.450 1.00 1.00 C ATOM 959 SG CYS A 126 11.914 -0.391 -3.811 1.00 1.00 S ATOM 0 H CYS A 126 12.403 -3.710 -5.773 1.00 1.00 H new ATOM 0 HA CYS A 126 12.177 -1.002 -6.302 1.00 1.00 H new ATOM 0 HB2 CYS A 126 12.753 -2.638 -4.063 1.00 1.00 H new ATOM 0 HB3 CYS A 126 14.053 -1.464 -4.112 1.00 1.00 H new ATOM 960 N MET A 127 15.410 -1.675 -6.026 1.00 1.00 N ATOM 961 CA MET A 127 16.745 -1.262 -6.551 1.00 1.00 C ATOM 962 C MET A 127 17.844 -1.865 -5.675 1.00 1.00 C ATOM 963 O MET A 127 18.573 -2.741 -6.095 1.00 1.00 O ATOM 964 CB MET A 127 16.870 0.264 -6.537 1.00 1.00 C ATOM 965 CG MET A 127 17.948 0.697 -7.533 1.00 1.00 C ATOM 966 SD MET A 127 17.176 1.120 -9.114 1.00 1.00 S ATOM 967 CE MET A 127 18.652 0.938 -10.146 1.00 1.00 C ATOM 0 H MET A 127 15.436 -2.348 -5.260 1.00 1.00 H new ATOM 0 HA MET A 127 16.848 -1.619 -7.576 1.00 1.00 H new ATOM 0 HB2 MET A 127 15.915 0.720 -6.797 1.00 1.00 H new ATOM 0 HB3 MET A 127 17.126 0.609 -5.535 1.00 1.00 H new ATOM 0 HG2 MET A 127 18.495 1.555 -7.142 1.00 1.00 H new ATOM 0 HG3 MET A 127 18.672 -0.106 -7.673 1.00 1.00 H new ATOM 0 HE1 MET A 127 18.400 1.157 -11.184 1.00 1.00 H new ATOM 0 HE2 MET A 127 19.422 1.631 -9.806 1.00 1.00 H new ATOM 0 HE3 MET A 127 19.025 -0.084 -10.071 1.00 1.00 H new ATOM 968 N VAL A 128 17.968 -1.400 -4.460 1.00 1.00 N ATOM 969 CA VAL A 128 19.019 -1.940 -3.549 1.00 1.00 C ATOM 970 C VAL A 128 20.339 -2.085 -4.318 1.00 1.00 C ATOM 971 O VAL A 128 20.478 -1.605 -5.426 1.00 1.00 O ATOM 972 CB VAL A 128 18.561 -3.298 -2.986 1.00 1.00 C ATOM 973 CG1 VAL A 128 18.900 -4.435 -3.957 1.00 1.00 C ATOM 974 CG2 VAL A 128 19.253 -3.553 -1.645 1.00 1.00 C ATOM 0 H VAL A 128 17.384 -0.667 -4.058 1.00 1.00 H new ATOM 0 HA VAL A 128 19.177 -1.254 -2.717 1.00 1.00 H new ATOM 0 HB VAL A 128 17.480 -3.269 -2.849 1.00 1.00 H new ATOM 0 HG11 VAL A 128 18.567 -5.384 -3.537 1.00 1.00 H new ATOM 0 HG12 VAL A 128 18.397 -4.263 -4.909 1.00 1.00 H new ATOM 0 HG13 VAL A 128 19.978 -4.468 -4.117 1.00 1.00 H new ATOM 0 HG21 VAL A 128 18.929 -4.514 -1.246 1.00 1.00 H new ATOM 0 HG22 VAL A 128 20.333 -3.565 -1.790 1.00 1.00 H new ATOM 0 HG23 VAL A 128 18.990 -2.761 -0.943 1.00 1.00 H new ATOM 975 N HIS A 129 21.312 -2.734 -3.739 1.00 1.00 N ATOM 976 CA HIS A 129 22.617 -2.900 -4.439 1.00 1.00 C ATOM 977 C HIS A 129 22.675 -4.283 -5.090 1.00 1.00 C ATOM 978 O HIS A 129 21.666 -4.847 -5.464 1.00 1.00 O ATOM 979 CB HIS A 129 23.756 -2.765 -3.426 1.00 1.00 C ATOM 980 CG HIS A 129 24.945 -2.127 -4.089 1.00 1.00 C ATOM 981 ND1 HIS A 129 26.016 -1.629 -3.363 1.00 1.00 N ATOM 982 CD2 HIS A 129 25.247 -1.897 -5.408 1.00 1.00 C ATOM 983 CE1 HIS A 129 26.904 -1.131 -4.241 1.00 1.00 C ATOM 984 NE2 HIS A 129 26.485 -1.268 -5.502 1.00 1.00 N ATOM 0 H HIS A 129 21.260 -3.156 -2.812 1.00 1.00 H new ATOM 0 HA HIS A 129 22.719 -2.134 -5.207 1.00 1.00 H new ATOM 0 HB2 HIS A 129 23.433 -2.162 -2.578 1.00 1.00 H new ATOM 0 HB3 HIS A 129 24.027 -3.746 -3.035 1.00 1.00 H new ATOM 0 HD2 HIS A 129 24.619 -2.164 -6.246 1.00 1.00 H new ATOM 0 HE1 HIS A 129 27.842 -0.675 -3.961 1.00 1.00 H new ATOM 0 HE2 HIS A 129 26.968 -0.975 -6.351 1.00 1.00 H new