USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1097 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 127 GLN : amide:sc= -0.645 K(o=-5.7,f=-7.6) USER MOD Set 1.2: A 129 HIS : no HE2:sc= -5.09! C(o=-5.7!,f=-5.4!) USER MOD Set 2.1: A 103 ASN : amide:sc= -1.04 K(o=-1.6,f=1.4) USER MOD Set 2.2: A 110 THR OG1 : rot -150:sc= -0.604 USER MOD Set 3.1: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 125 THR OG1 : rot 50:sc= 0.0765 USER MOD Set 4.1: A 29 HIS : no HD1:sc= -5.47! K(o=-8.8!,f=-1.5) USER MOD Set 4.2: A 102 TYR OH : rot 30:sc= -3.33! USER MOD Set 5.1: A 19 ASN : amide:sc= -1.82 K(o=-21,f=-29!) USER MOD Set 5.2: A 55 HIS : no HD1:sc= -14.3! C(o=-21!,f=-25!) USER MOD Set 5.3: A 119 MET CE :methyl -161:sc= -4.64! (180deg=-1.04) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 1.6 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -7:sc= 0.861 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= 0.227 (180deg=-0.278) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 51:sc= 0.954 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc=-0.00498 (180deg=-0.578) USER MOD Single : A 24 HIS : no HD1:sc= -2.47! K(o=-2.5!,f=-1.3) USER MOD Single : A 25 ASN : amide:sc=-0.00462 X(o=-0.0046,f=-0.11) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot -85:sc= -0.633 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.91! X(o=-2.9!,f=-3.4) USER MOD Single : A 40 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.15) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.806 K(o=0.81,f=-0.69) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 70:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.177 K(o=-0.18,f=-3.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot -34:sc= 0.35 USER MOD Single : A 66 GLN : amide:sc= -0.0443 K(o=-0.044,f=-2.2!) USER MOD Single : A 71 TYR OH : rot -173:sc= -0.742 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 151:sc= 0.0391 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -158:sc= -0.645 (180deg=-1.83!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 38:sc= 0.406 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc=-0.00764 X(o=-0.0076,f=-0.0053) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -137:sc= -3.08! (180deg=-4.98!) USER MOD Single : A 118 SER OG : rot 58:sc= 1.13 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.017) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 31:sc= 0.615 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.041 -24.843 0.786 1.00 0.00 N ATOM 2 CA GLY A 1 28.012 -23.777 0.609 1.00 0.00 C ATOM 3 C GLY A 1 27.370 -22.407 0.840 1.00 0.00 C ATOM 4 O GLY A 1 27.223 -21.970 1.980 1.00 0.00 O ATOM 0 H1 GLY A 1 27.501 -25.762 0.624 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.663 -24.811 1.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.263 -24.720 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.841 -23.916 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.428 -23.823 -0.397 1.00 0.00 H new ATOM 8 N SER A 2 27.005 -21.768 -0.262 1.00 0.00 N ATOM 9 CA SER A 2 26.382 -20.457 -0.195 1.00 0.00 C ATOM 10 C SER A 2 27.207 -19.531 0.702 1.00 0.00 C ATOM 11 O SER A 2 27.079 -19.570 1.925 1.00 0.00 O ATOM 12 CB SER A 2 24.945 -20.555 0.323 1.00 0.00 C ATOM 13 OG SER A 2 24.888 -21.099 1.639 1.00 0.00 O ATOM 0 H SER A 2 27.129 -22.134 -1.206 1.00 0.00 H new ATOM 0 HA SER A 2 26.349 -20.043 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.490 -19.564 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.358 -21.177 -0.352 1.00 0.00 H new ATOM 0 HG SER A 2 25.748 -20.961 2.088 1.00 0.00 H new ATOM 19 N SER A 3 28.034 -18.720 0.060 1.00 0.00 N ATOM 20 CA SER A 3 28.879 -17.786 0.784 1.00 0.00 C ATOM 21 C SER A 3 28.288 -16.377 0.707 1.00 0.00 C ATOM 22 O SER A 3 27.309 -16.149 -0.003 1.00 0.00 O ATOM 23 CB SER A 3 30.307 -17.794 0.233 1.00 0.00 C ATOM 24 OG SER A 3 30.362 -17.329 -1.113 1.00 0.00 O ATOM 0 H SER A 3 28.137 -18.690 -0.954 1.00 0.00 H new ATOM 0 HA SER A 3 28.919 -18.099 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.941 -17.167 0.860 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.710 -18.806 0.284 1.00 0.00 H new ATOM 0 HG SER A 3 31.290 -17.347 -1.428 1.00 0.00 H new ATOM 30 N GLY A 4 28.907 -15.469 1.446 1.00 0.00 N ATOM 31 CA GLY A 4 28.454 -14.088 1.470 1.00 0.00 C ATOM 32 C GLY A 4 28.532 -13.461 0.077 1.00 0.00 C ATOM 33 O GLY A 4 28.731 -14.163 -0.913 1.00 0.00 O ATOM 0 H GLY A 4 29.719 -15.662 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.428 -14.044 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.065 -13.513 2.166 1.00 0.00 H new ATOM 37 N SER A 5 28.371 -12.147 0.045 1.00 0.00 N ATOM 38 CA SER A 5 28.420 -11.417 -1.211 1.00 0.00 C ATOM 39 C SER A 5 28.722 -9.941 -0.947 1.00 0.00 C ATOM 40 O SER A 5 28.709 -9.496 0.200 1.00 0.00 O ATOM 41 CB SER A 5 27.107 -11.561 -1.983 1.00 0.00 C ATOM 42 OG SER A 5 26.856 -12.911 -2.363 1.00 0.00 O ATOM 0 H SER A 5 28.206 -11.568 0.869 1.00 0.00 H new ATOM 0 HA SER A 5 29.217 -11.840 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.283 -11.198 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.140 -10.934 -2.874 1.00 0.00 H new ATOM 0 HG SER A 5 27.635 -13.463 -2.143 1.00 0.00 H new ATOM 48 N SER A 6 28.986 -9.221 -2.028 1.00 0.00 N ATOM 49 CA SER A 6 29.291 -7.804 -1.927 1.00 0.00 C ATOM 50 C SER A 6 28.071 -6.976 -2.336 1.00 0.00 C ATOM 51 O SER A 6 27.266 -7.414 -3.157 1.00 0.00 O ATOM 52 CB SER A 6 30.496 -7.437 -2.795 1.00 0.00 C ATOM 53 OG SER A 6 31.502 -6.755 -2.051 1.00 0.00 O ATOM 0 H SER A 6 28.995 -9.593 -2.978 1.00 0.00 H new ATOM 0 HA SER A 6 29.543 -7.581 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.918 -8.343 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.168 -6.808 -3.623 1.00 0.00 H new ATOM 0 HG SER A 6 32.255 -6.540 -2.640 1.00 0.00 H new ATOM 59 N GLY A 7 27.971 -5.795 -1.744 1.00 0.00 N ATOM 60 CA GLY A 7 26.863 -4.902 -2.036 1.00 0.00 C ATOM 61 C GLY A 7 26.568 -4.868 -3.537 1.00 0.00 C ATOM 62 O GLY A 7 27.374 -4.369 -4.320 1.00 0.00 O ATOM 0 H GLY A 7 28.640 -5.436 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.975 -5.229 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 27.099 -3.897 -1.685 1.00 0.00 H new ATOM 66 N PRO A 8 25.379 -5.418 -3.901 1.00 0.00 N ATOM 67 CA PRO A 8 24.967 -5.455 -5.294 1.00 0.00 C ATOM 68 C PRO A 8 24.512 -4.073 -5.768 1.00 0.00 C ATOM 69 O PRO A 8 24.358 -3.157 -4.963 1.00 0.00 O ATOM 70 CB PRO A 8 23.861 -6.496 -5.350 1.00 0.00 C ATOM 71 CG PRO A 8 23.376 -6.667 -3.920 1.00 0.00 C ATOM 72 CD PRO A 8 24.399 -6.018 -3.001 1.00 0.00 C ATOM 0 HA PRO A 8 25.782 -5.723 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 8 23.050 -6.169 -6.001 1.00 0.00 H new ATOM 0 HB3 PRO A 8 24.232 -7.439 -5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 8 22.398 -6.204 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 8 23.262 -7.724 -3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 8 23.936 -5.266 -2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 8 24.863 -6.753 -2.344 1.00 0.00 H new ATOM 80 N ARG A 9 24.309 -3.968 -7.073 1.00 0.00 N ATOM 81 CA ARG A 9 23.874 -2.713 -7.664 1.00 0.00 C ATOM 82 C ARG A 9 22.727 -2.959 -8.647 1.00 0.00 C ATOM 83 O ARG A 9 22.339 -4.102 -8.880 1.00 0.00 O ATOM 84 CB ARG A 9 25.025 -2.022 -8.397 1.00 0.00 C ATOM 85 CG ARG A 9 26.195 -1.751 -7.448 1.00 0.00 C ATOM 86 CD ARG A 9 25.985 -0.447 -6.676 1.00 0.00 C ATOM 87 NE ARG A 9 27.247 -0.037 -6.021 1.00 0.00 N ATOM 88 CZ ARG A 9 27.764 -0.642 -4.943 1.00 0.00 C ATOM 89 NH1 ARG A 9 27.131 -1.687 -4.393 1.00 0.00 N ATOM 90 NH2 ARG A 9 28.914 -0.202 -4.415 1.00 0.00 N ATOM 0 H ARG A 9 24.438 -4.731 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 9 23.532 -2.066 -6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 9 25.361 -2.646 -9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 9 24.676 -1.083 -8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 9 26.299 -2.580 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 9 27.123 -1.696 -8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 9 25.647 0.336 -7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 9 25.204 -0.580 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 9 27.755 0.755 -6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 9 26.255 -2.022 -4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 9 27.525 -2.147 -3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 9 29.396 0.594 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.308 -0.663 -3.594 1.00 0.00 H new ATOM 104 N LEU A 10 22.217 -1.866 -9.196 1.00 0.00 N ATOM 105 CA LEU A 10 21.123 -1.948 -10.148 1.00 0.00 C ATOM 106 C LEU A 10 21.176 -0.740 -11.085 1.00 0.00 C ATOM 107 O LEU A 10 21.425 0.381 -10.645 1.00 0.00 O ATOM 108 CB LEU A 10 19.787 -2.100 -9.417 1.00 0.00 C ATOM 109 CG LEU A 10 19.504 -3.479 -8.817 1.00 0.00 C ATOM 110 CD1 LEU A 10 18.191 -3.477 -8.032 1.00 0.00 C ATOM 111 CD2 LEU A 10 19.524 -4.562 -9.898 1.00 0.00 C ATOM 0 H LEU A 10 22.541 -0.919 -8.999 1.00 0.00 H new ATOM 0 HA LEU A 10 21.224 -2.838 -10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 10 19.748 -1.362 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.985 -1.857 -10.114 1.00 0.00 H new ATOM 0 HG LEU A 10 20.300 -3.714 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 10 18.014 -4.469 -7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 10 18.252 -2.750 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.370 -3.211 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.320 -5.532 -9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.762 -4.344 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.504 -4.583 -10.374 1.00 0.00 H new ATOM 123 N TYR A 11 20.940 -1.010 -12.361 1.00 0.00 N ATOM 124 CA TYR A 11 20.958 0.040 -13.364 1.00 0.00 C ATOM 125 C TYR A 11 20.300 -0.430 -14.663 1.00 0.00 C ATOM 126 O TYR A 11 20.831 -1.299 -15.352 1.00 0.00 O ATOM 127 CB TYR A 11 22.434 0.341 -13.633 1.00 0.00 C ATOM 128 CG TYR A 11 22.706 1.780 -14.074 1.00 0.00 C ATOM 129 CD1 TYR A 11 22.052 2.826 -13.455 1.00 0.00 C ATOM 130 CD2 TYR A 11 23.605 2.033 -15.090 1.00 0.00 C ATOM 131 CE1 TYR A 11 22.308 4.181 -13.869 1.00 0.00 C ATOM 132 CE2 TYR A 11 23.860 3.388 -15.505 1.00 0.00 C ATOM 133 CZ TYR A 11 23.199 4.396 -14.874 1.00 0.00 C ATOM 134 OH TYR A 11 23.441 5.675 -15.265 1.00 0.00 O ATOM 0 H TYR A 11 20.735 -1.942 -12.723 1.00 0.00 H new ATOM 0 HA TYR A 11 20.410 0.915 -13.013 1.00 0.00 H new ATOM 0 HB2 TYR A 11 23.007 0.135 -12.729 1.00 0.00 H new ATOM 0 HB3 TYR A 11 22.798 -0.339 -14.403 1.00 0.00 H new ATOM 0 HD1 TYR A 11 21.348 2.628 -12.660 1.00 0.00 H new ATOM 0 HD2 TYR A 11 24.117 1.215 -15.574 1.00 0.00 H new ATOM 0 HE1 TYR A 11 21.804 5.008 -13.392 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.560 3.599 -16.299 1.00 0.00 H new ATOM 0 HH TYR A 11 24.100 5.676 -15.991 1.00 0.00 H new ATOM 144 N LYS A 12 19.154 0.165 -14.957 1.00 0.00 N ATOM 145 CA LYS A 12 18.418 -0.183 -16.161 1.00 0.00 C ATOM 146 C LYS A 12 17.658 1.047 -16.662 1.00 0.00 C ATOM 147 O LYS A 12 17.119 1.815 -15.866 1.00 0.00 O ATOM 148 CB LYS A 12 17.523 -1.398 -15.910 1.00 0.00 C ATOM 149 CG LYS A 12 17.161 -2.093 -17.224 1.00 0.00 C ATOM 150 CD LYS A 12 18.160 -3.206 -17.549 1.00 0.00 C ATOM 151 CE LYS A 12 19.073 -2.803 -18.708 1.00 0.00 C ATOM 152 NZ LYS A 12 20.450 -2.559 -18.223 1.00 0.00 N ATOM 0 H LYS A 12 18.717 0.886 -14.383 1.00 0.00 H new ATOM 0 HA LYS A 12 19.104 -0.480 -16.954 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.034 -2.101 -15.252 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.613 -1.085 -15.398 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.156 -2.510 -17.154 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.148 -1.363 -18.034 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.762 -3.428 -16.668 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.622 -4.119 -17.806 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.081 -3.589 -19.463 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.686 -1.904 -19.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.925 -1.882 -18.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.415 -2.169 -17.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.979 -3.454 -18.215 1.00 0.00 H new ATOM 166 N GLU A 13 17.639 1.196 -17.978 1.00 0.00 N ATOM 167 CA GLU A 13 16.954 2.320 -18.595 1.00 0.00 C ATOM 168 C GLU A 13 15.592 2.540 -17.932 1.00 0.00 C ATOM 169 O GLU A 13 14.996 1.602 -17.404 1.00 0.00 O ATOM 170 CB GLU A 13 16.802 2.109 -20.103 1.00 0.00 C ATOM 171 CG GLU A 13 17.833 2.933 -20.878 1.00 0.00 C ATOM 172 CD GLU A 13 17.513 2.944 -22.374 1.00 0.00 C ATOM 173 OE1 GLU A 13 16.365 2.580 -22.711 1.00 0.00 O ATOM 174 OE2 GLU A 13 18.422 3.316 -23.146 1.00 0.00 O ATOM 0 H GLU A 13 18.087 0.557 -18.635 1.00 0.00 H new ATOM 0 HA GLU A 13 17.558 3.215 -18.446 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.923 1.052 -20.340 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.796 2.392 -20.414 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.847 3.955 -20.498 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.829 2.519 -20.718 1.00 0.00 H new ATOM 181 N PRO A 14 15.128 3.817 -17.983 1.00 0.00 N ATOM 182 CA PRO A 14 13.848 4.172 -17.394 1.00 0.00 C ATOM 183 C PRO A 14 12.689 3.679 -18.264 1.00 0.00 C ATOM 184 O PRO A 14 12.908 3.115 -19.334 1.00 0.00 O ATOM 185 CB PRO A 14 13.885 5.685 -17.256 1.00 0.00 C ATOM 186 CG PRO A 14 14.983 6.163 -18.193 1.00 0.00 C ATOM 187 CD PRO A 14 15.807 4.953 -18.600 1.00 0.00 C ATOM 0 HA PRO A 14 13.685 3.701 -16.425 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.924 6.125 -17.524 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.094 5.978 -16.227 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.553 6.645 -19.071 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.611 6.904 -17.699 1.00 0.00 H new ATOM 0 HD2 PRO A 14 15.848 4.848 -19.684 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.835 5.038 -18.249 1.00 0.00 H new ATOM 195 N SER A 15 11.482 3.911 -17.770 1.00 0.00 N ATOM 196 CA SER A 15 10.288 3.498 -18.489 1.00 0.00 C ATOM 197 C SER A 15 9.044 3.782 -17.644 1.00 0.00 C ATOM 198 O SER A 15 8.853 3.175 -16.591 1.00 0.00 O ATOM 199 CB SER A 15 10.352 2.014 -18.856 1.00 0.00 C ATOM 200 OG SER A 15 10.076 1.794 -20.237 1.00 0.00 O ATOM 0 H SER A 15 11.305 4.379 -16.881 1.00 0.00 H new ATOM 0 HA SER A 15 10.230 4.072 -19.414 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.341 1.624 -18.617 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.636 1.459 -18.250 1.00 0.00 H new ATOM 0 HG SER A 15 10.128 0.835 -20.432 1.00 0.00 H new ATOM 206 N ALA A 16 8.231 4.704 -18.137 1.00 0.00 N ATOM 207 CA ALA A 16 7.011 5.076 -17.441 1.00 0.00 C ATOM 208 C ALA A 16 6.151 3.829 -17.227 1.00 0.00 C ATOM 209 O ALA A 16 5.606 3.275 -18.181 1.00 0.00 O ATOM 210 CB ALA A 16 6.280 6.160 -18.235 1.00 0.00 C ATOM 0 H ALA A 16 8.393 5.205 -19.011 1.00 0.00 H new ATOM 0 HA ALA A 16 7.240 5.491 -16.459 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.365 6.439 -17.713 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.923 7.035 -18.333 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.031 5.780 -19.226 1.00 0.00 H new ATOM 216 N LYS A 17 6.055 3.424 -15.969 1.00 0.00 N ATOM 217 CA LYS A 17 5.270 2.252 -15.618 1.00 0.00 C ATOM 218 C LYS A 17 4.479 2.538 -14.340 1.00 0.00 C ATOM 219 O LYS A 17 4.409 1.695 -13.447 1.00 0.00 O ATOM 220 CB LYS A 17 6.166 1.016 -15.523 1.00 0.00 C ATOM 221 CG LYS A 17 6.118 0.203 -16.818 1.00 0.00 C ATOM 222 CD LYS A 17 4.880 -0.696 -16.856 1.00 0.00 C ATOM 223 CE LYS A 17 4.840 -1.520 -18.145 1.00 0.00 C ATOM 224 NZ LYS A 17 3.577 -2.286 -18.231 1.00 0.00 N ATOM 0 H LYS A 17 6.508 3.886 -15.180 1.00 0.00 H new ATOM 0 HA LYS A 17 4.544 2.031 -16.400 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.192 1.321 -15.319 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.846 0.394 -14.687 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.109 0.877 -17.675 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.017 -0.407 -16.902 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.884 -1.363 -15.994 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.980 -0.085 -16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.932 -0.861 -19.008 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.689 -2.203 -18.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.566 -2.840 -19.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.505 -2.929 -17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.771 -1.629 -18.225 1.00 0.00 H new ATOM 238 N SER A 18 3.903 3.730 -14.293 1.00 0.00 N ATOM 239 CA SER A 18 3.119 4.138 -13.139 1.00 0.00 C ATOM 240 C SER A 18 2.293 2.957 -12.624 1.00 0.00 C ATOM 241 O SER A 18 1.880 2.098 -13.402 1.00 0.00 O ATOM 242 CB SER A 18 2.205 5.315 -13.483 1.00 0.00 C ATOM 243 OG SER A 18 1.249 5.566 -12.456 1.00 0.00 O ATOM 0 H SER A 18 3.963 4.427 -15.035 1.00 0.00 H new ATOM 0 HA SER A 18 3.805 4.462 -12.356 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.809 6.208 -13.643 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.686 5.110 -14.419 1.00 0.00 H new ATOM 0 HG SER A 18 1.706 5.629 -11.592 1.00 0.00 H new ATOM 249 N ASN A 19 2.078 2.953 -11.317 1.00 0.00 N ATOM 250 CA ASN A 19 1.309 1.892 -10.689 1.00 0.00 C ATOM 251 C ASN A 19 0.240 2.509 -9.785 1.00 0.00 C ATOM 252 O ASN A 19 -0.180 1.895 -8.805 1.00 0.00 O ATOM 253 CB ASN A 19 2.203 1.001 -9.824 1.00 0.00 C ATOM 254 CG ASN A 19 2.601 1.715 -8.531 1.00 0.00 C ATOM 255 OD1 ASN A 19 2.836 2.912 -8.499 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.665 0.916 -7.470 1.00 0.00 N ATOM 0 H ASN A 19 2.423 3.667 -10.676 1.00 0.00 H new ATOM 0 HA ASN A 19 0.857 1.291 -11.478 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.679 0.075 -9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.098 0.726 -10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.923 1.297 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.456 -0.078 -7.566 1.00 0.00 H new ATOM 263 N LYS A 20 -0.169 3.717 -10.145 1.00 0.00 N ATOM 264 CA LYS A 20 -1.180 4.424 -9.378 1.00 0.00 C ATOM 265 C LYS A 20 -2.507 3.668 -9.473 1.00 0.00 C ATOM 266 O LYS A 20 -3.190 3.478 -8.468 1.00 0.00 O ATOM 267 CB LYS A 20 -1.270 5.884 -9.828 1.00 0.00 C ATOM 268 CG LYS A 20 -2.449 6.592 -9.158 1.00 0.00 C ATOM 269 CD LYS A 20 -2.949 7.756 -10.016 1.00 0.00 C ATOM 270 CE LYS A 20 -2.912 9.070 -9.233 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.482 10.171 -10.041 1.00 0.00 N ATOM 0 H LYS A 20 0.182 4.224 -10.958 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.906 4.456 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.343 6.402 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.382 5.928 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.259 5.882 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.147 6.961 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.332 7.844 -10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.967 7.556 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.474 8.963 -8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.884 9.307 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.169 11.084 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.158 10.083 -11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.520 10.121 -10.012 1.00 0.00 H new ATOM 285 N PHE A 21 -2.832 3.258 -10.690 1.00 0.00 N ATOM 286 CA PHE A 21 -4.065 2.528 -10.930 1.00 0.00 C ATOM 287 C PHE A 21 -4.027 1.153 -10.258 1.00 0.00 C ATOM 288 O PHE A 21 -5.068 0.536 -10.039 1.00 0.00 O ATOM 289 CB PHE A 21 -4.187 2.339 -12.443 1.00 0.00 C ATOM 290 CG PHE A 21 -4.558 3.616 -13.201 1.00 0.00 C ATOM 291 CD1 PHE A 21 -5.840 4.072 -13.178 1.00 0.00 C ATOM 292 CD2 PHE A 21 -3.608 4.294 -13.897 1.00 0.00 C ATOM 293 CE1 PHE A 21 -6.184 5.256 -13.881 1.00 0.00 C ATOM 294 CE2 PHE A 21 -3.952 5.478 -14.601 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.233 5.935 -14.578 1.00 0.00 C ATOM 0 H PHE A 21 -2.262 3.418 -11.521 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.910 3.081 -10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.240 1.961 -12.829 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.940 1.577 -12.644 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.595 3.533 -12.625 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.591 3.932 -13.915 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.201 5.618 -13.863 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.197 6.016 -15.155 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.495 6.836 -15.113 1.00 0.00 H new ATOM 305 N ILE A 22 -2.816 0.714 -9.950 1.00 0.00 N ATOM 306 CA ILE A 22 -2.628 -0.576 -9.308 1.00 0.00 C ATOM 307 C ILE A 22 -2.851 -0.428 -7.801 1.00 0.00 C ATOM 308 O ILE A 22 -3.259 -1.377 -7.134 1.00 0.00 O ATOM 309 CB ILE A 22 -1.263 -1.163 -9.673 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.085 -1.232 -11.191 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.057 -2.525 -9.008 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.364 -1.559 -11.559 1.00 0.00 C ATOM 0 H ILE A 22 -1.955 1.229 -10.133 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.364 -1.293 -9.671 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.490 -0.498 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.749 -1.991 -11.604 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.372 -0.280 -11.638 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.079 -2.920 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.111 -2.413 -7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.834 -3.214 -9.341 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.463 -1.602 -12.644 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.023 -0.785 -11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.639 -2.523 -11.131 1.00 0.00 H new ATOM 324 N ILE A 23 -2.572 0.771 -7.309 1.00 0.00 N ATOM 325 CA ILE A 23 -2.737 1.055 -5.894 1.00 0.00 C ATOM 326 C ILE A 23 -4.192 1.443 -5.622 1.00 0.00 C ATOM 327 O ILE A 23 -4.775 1.018 -4.626 1.00 0.00 O ATOM 328 CB ILE A 23 -1.724 2.107 -5.437 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.292 1.589 -5.583 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.023 2.574 -4.011 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.154 0.186 -4.989 1.00 0.00 C ATOM 0 H ILE A 23 -2.233 1.556 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.528 0.165 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.819 2.977 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.014 1.571 -6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.397 2.269 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.288 3.321 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.021 3.011 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.973 1.723 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.873 -0.159 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.410 0.213 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.827 -0.497 -5.508 1.00 0.00 H new ATOM 343 N HIS A 24 -4.736 2.245 -6.525 1.00 0.00 N ATOM 344 CA HIS A 24 -6.111 2.695 -6.395 1.00 0.00 C ATOM 345 C HIS A 24 -7.020 1.495 -6.122 1.00 0.00 C ATOM 346 O HIS A 24 -8.030 1.621 -5.432 1.00 0.00 O ATOM 347 CB HIS A 24 -6.540 3.496 -7.626 1.00 0.00 C ATOM 348 CG HIS A 24 -7.267 4.779 -7.302 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.561 4.803 -6.812 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.868 6.079 -7.403 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.915 6.067 -6.630 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.865 6.856 -6.997 1.00 0.00 N ATOM 0 H HIS A 24 -4.249 2.595 -7.350 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.197 3.372 -5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.657 3.731 -8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.184 2.872 -8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.905 6.419 -7.754 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.868 6.412 -6.257 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.848 7.875 -6.965 1.00 0.00 H new ATOM 360 N ASN A 25 -6.628 0.358 -6.679 1.00 0.00 N ATOM 361 CA ASN A 25 -7.395 -0.864 -6.504 1.00 0.00 C ATOM 362 C ASN A 25 -6.888 -1.606 -5.266 1.00 0.00 C ATOM 363 O ASN A 25 -7.673 -2.209 -4.535 1.00 0.00 O ATOM 364 CB ASN A 25 -7.235 -1.791 -7.710 1.00 0.00 C ATOM 365 CG ASN A 25 -8.207 -1.410 -8.829 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.410 -1.335 -8.642 1.00 0.00 O ATOM 367 ND2 ASN A 25 -7.619 -1.173 -9.998 1.00 0.00 N ATOM 0 H ASN A 25 -5.790 0.257 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.445 -0.591 -6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.211 -1.739 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.412 -2.823 -7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.181 -0.910 -10.808 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.606 -1.254 -10.085 1.00 0.00 H new ATOM 374 N ALA A 26 -5.580 -1.537 -5.068 1.00 0.00 N ATOM 375 CA ALA A 26 -4.960 -2.195 -3.931 1.00 0.00 C ATOM 376 C ALA A 26 -5.600 -1.684 -2.639 1.00 0.00 C ATOM 377 O ALA A 26 -5.812 -2.450 -1.701 1.00 0.00 O ATOM 378 CB ALA A 26 -3.448 -1.959 -3.966 1.00 0.00 C ATOM 0 H ALA A 26 -4.932 -1.035 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.123 -3.272 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.983 -2.453 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.037 -2.367 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.246 -0.889 -3.921 1.00 0.00 H new ATOM 384 N LEU A 27 -5.891 -0.391 -2.632 1.00 0.00 N ATOM 385 CA LEU A 27 -6.503 0.232 -1.471 1.00 0.00 C ATOM 386 C LEU A 27 -7.933 -0.289 -1.312 1.00 0.00 C ATOM 387 O LEU A 27 -8.312 -0.753 -0.238 1.00 0.00 O ATOM 388 CB LEU A 27 -6.411 1.756 -1.570 1.00 0.00 C ATOM 389 CG LEU A 27 -5.004 2.335 -1.729 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.015 3.856 -1.567 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.023 1.663 -0.765 1.00 0.00 C ATOM 0 H LEU A 27 -5.714 0.242 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.962 -0.039 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.014 2.082 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.860 2.186 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.659 2.122 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.002 4.242 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.662 4.298 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.389 4.114 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.030 2.093 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.353 1.824 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.986 0.593 -0.971 1.00 0.00 H new ATOM 403 N SER A 28 -8.687 -0.195 -2.397 1.00 0.00 N ATOM 404 CA SER A 28 -10.066 -0.651 -2.392 1.00 0.00 C ATOM 405 C SER A 28 -10.112 -2.180 -2.403 1.00 0.00 C ATOM 406 O SER A 28 -11.189 -2.773 -2.369 1.00 0.00 O ATOM 407 CB SER A 28 -10.837 -0.089 -3.588 1.00 0.00 C ATOM 408 OG SER A 28 -11.820 0.863 -3.190 1.00 0.00 O ATOM 0 H SER A 28 -8.369 0.191 -3.286 1.00 0.00 H new ATOM 0 HA SER A 28 -10.543 -0.286 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.139 0.379 -4.282 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.320 -0.906 -4.124 1.00 0.00 H new ATOM 0 HG SER A 28 -12.289 1.199 -3.982 1.00 0.00 H new ATOM 414 N HIS A 29 -8.929 -2.775 -2.450 1.00 0.00 N ATOM 415 CA HIS A 29 -8.820 -4.224 -2.465 1.00 0.00 C ATOM 416 C HIS A 29 -8.902 -4.760 -1.035 1.00 0.00 C ATOM 417 O HIS A 29 -9.655 -5.693 -0.760 1.00 0.00 O ATOM 418 CB HIS A 29 -7.548 -4.666 -3.192 1.00 0.00 C ATOM 419 CG HIS A 29 -7.761 -5.013 -4.646 1.00 0.00 C ATOM 420 ND1 HIS A 29 -7.024 -5.984 -5.301 1.00 0.00 N ATOM 421 CD2 HIS A 29 -8.636 -4.510 -5.564 1.00 0.00 C ATOM 422 CE1 HIS A 29 -7.443 -6.053 -6.556 1.00 0.00 C ATOM 423 NE2 HIS A 29 -8.442 -5.138 -6.717 1.00 0.00 N ATOM 0 H HIS A 29 -8.038 -2.280 -2.478 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.654 -4.649 -3.023 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.807 -3.869 -3.124 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.131 -5.533 -2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.363 -3.732 -5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.061 -6.717 -7.317 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -8.955 -4.965 -7.581 1.00 0.00 H new ATOM 431 N CYS A 30 -8.116 -4.148 -0.161 1.00 0.00 N ATOM 432 CA CYS A 30 -8.090 -4.551 1.234 1.00 0.00 C ATOM 433 C CYS A 30 -7.193 -3.577 2.000 1.00 0.00 C ATOM 434 O CYS A 30 -7.514 -3.180 3.119 1.00 0.00 O ATOM 435 CB CYS A 30 -7.627 -6.001 1.395 1.00 0.00 C ATOM 436 SG CYS A 30 -8.763 -6.901 2.512 1.00 0.00 S ATOM 0 H CYS A 30 -7.492 -3.375 -0.393 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.099 -4.513 1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.596 -6.492 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.614 -6.025 1.797 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.362 -8.131 2.640 1.00 0.00 H new ATOM 442 N CYS A 31 -6.086 -3.219 1.366 1.00 0.00 N ATOM 443 CA CYS A 31 -5.140 -2.299 1.973 1.00 0.00 C ATOM 444 C CYS A 31 -5.930 -1.209 2.701 1.00 0.00 C ATOM 445 O CYS A 31 -5.556 -0.793 3.796 1.00 0.00 O ATOM 446 CB CYS A 31 -4.178 -1.711 0.939 1.00 0.00 C ATOM 447 SG CYS A 31 -2.711 -2.791 0.765 1.00 0.00 S ATOM 0 H CYS A 31 -5.823 -3.550 0.438 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.517 -2.835 2.688 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.682 -1.610 -0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.870 -0.711 1.244 1.00 0.00 H new ATOM 0 HG CYS A 31 -1.841 -2.493 1.684 1.00 0.00 H new ATOM 453 N LEU A 32 -7.008 -0.778 2.063 1.00 0.00 N ATOM 454 CA LEU A 32 -7.854 0.255 2.636 1.00 0.00 C ATOM 455 C LEU A 32 -9.310 -0.009 2.245 1.00 0.00 C ATOM 456 O LEU A 32 -10.015 0.902 1.813 1.00 0.00 O ATOM 457 CB LEU A 32 -7.351 1.643 2.235 1.00 0.00 C ATOM 458 CG LEU A 32 -6.234 2.228 3.101 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.583 3.431 2.417 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.750 2.574 4.500 1.00 0.00 C ATOM 0 H LEU A 32 -7.315 -1.125 1.155 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.806 0.227 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.998 1.596 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.195 2.332 2.252 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.461 1.469 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.792 3.828 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.159 3.121 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.334 4.203 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.937 2.988 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.552 3.308 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.130 1.673 4.981 1.00 0.00 H new ATOM 472 N ALA A 33 -9.717 -1.259 2.412 1.00 0.00 N ATOM 473 CA ALA A 33 -11.076 -1.653 2.082 1.00 0.00 C ATOM 474 C ALA A 33 -11.865 -1.876 3.373 1.00 0.00 C ATOM 475 O ALA A 33 -11.443 -2.640 4.239 1.00 0.00 O ATOM 476 CB ALA A 33 -11.044 -2.900 1.195 1.00 0.00 C ATOM 0 H ALA A 33 -9.130 -2.012 2.771 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.579 -0.866 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.063 -3.196 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.497 -2.681 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.549 -3.712 1.727 1.00 0.00 H new ATOM 482 N GLY A 34 -12.999 -1.195 3.461 1.00 0.00 N ATOM 483 CA GLY A 34 -13.851 -1.310 4.632 1.00 0.00 C ATOM 484 C GLY A 34 -14.564 0.013 4.922 1.00 0.00 C ATOM 485 O GLY A 34 -14.526 0.934 4.109 1.00 0.00 O ATOM 0 H GLY A 34 -13.347 -0.562 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.588 -2.098 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.252 -1.602 5.495 1.00 0.00 H new ATOM 489 N LYS A 35 -15.197 0.064 6.085 1.00 0.00 N ATOM 490 CA LYS A 35 -15.918 1.258 6.493 1.00 0.00 C ATOM 491 C LYS A 35 -15.017 2.110 7.389 1.00 0.00 C ATOM 492 O LYS A 35 -15.005 3.335 7.278 1.00 0.00 O ATOM 493 CB LYS A 35 -17.252 0.884 7.140 1.00 0.00 C ATOM 494 CG LYS A 35 -18.202 2.083 7.171 1.00 0.00 C ATOM 495 CD LYS A 35 -19.403 1.856 6.250 1.00 0.00 C ATOM 496 CE LYS A 35 -20.496 2.894 6.510 1.00 0.00 C ATOM 497 NZ LYS A 35 -21.830 2.328 6.208 1.00 0.00 N ATOM 0 H LYS A 35 -15.226 -0.702 6.758 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.172 1.866 5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.712 0.065 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.080 0.525 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.548 2.251 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.668 2.982 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.084 1.912 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.803 0.854 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.459 3.218 7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.321 3.777 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.561 3.045 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.867 2.041 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.001 1.499 6.813 1.00 0.00 H new ATOM 511 N VAL A 36 -14.285 1.428 8.258 1.00 0.00 N ATOM 512 CA VAL A 36 -13.384 2.108 9.173 1.00 0.00 C ATOM 513 C VAL A 36 -12.420 2.987 8.374 1.00 0.00 C ATOM 514 O VAL A 36 -12.118 4.109 8.778 1.00 0.00 O ATOM 515 CB VAL A 36 -12.667 1.085 10.057 1.00 0.00 C ATOM 516 CG1 VAL A 36 -13.664 0.322 10.931 1.00 0.00 C ATOM 517 CG2 VAL A 36 -11.829 0.123 9.213 1.00 0.00 C ATOM 0 H VAL A 36 -14.298 0.412 8.348 1.00 0.00 H new ATOM 0 HA VAL A 36 -13.942 2.763 9.842 1.00 0.00 H new ATOM 0 HB VAL A 36 -11.990 1.628 10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.129 -0.399 11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.198 1.024 11.572 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.377 -0.204 10.296 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -11.330 -0.593 9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -12.477 -0.410 8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.082 0.686 8.654 1.00 0.00 H new ATOM 527 N ASN A 37 -11.964 2.444 7.255 1.00 0.00 N ATOM 528 CA ASN A 37 -11.040 3.165 6.395 1.00 0.00 C ATOM 529 C ASN A 37 -11.815 3.792 5.235 1.00 0.00 C ATOM 530 O ASN A 37 -11.304 3.882 4.119 1.00 0.00 O ATOM 531 CB ASN A 37 -9.987 2.224 5.808 1.00 0.00 C ATOM 532 CG ASN A 37 -8.805 2.057 6.765 1.00 0.00 C ATOM 533 OD1 ASN A 37 -8.383 2.982 7.439 1.00 0.00 O ATOM 534 ND2 ASN A 37 -8.298 0.828 6.788 1.00 0.00 N ATOM 0 H ASN A 37 -12.217 1.513 6.924 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.546 3.929 6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.436 1.251 5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.634 2.617 4.854 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.508 0.614 7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.700 0.100 6.198 1.00 0.00 H new ATOM 541 N GLU A 38 -13.035 4.211 5.537 1.00 0.00 N ATOM 542 CA GLU A 38 -13.885 4.827 4.532 1.00 0.00 C ATOM 543 C GLU A 38 -13.486 6.289 4.324 1.00 0.00 C ATOM 544 O GLU A 38 -13.457 6.774 3.194 1.00 0.00 O ATOM 545 CB GLU A 38 -15.361 4.711 4.917 1.00 0.00 C ATOM 546 CG GLU A 38 -16.255 5.370 3.865 1.00 0.00 C ATOM 547 CD GLU A 38 -17.571 5.846 4.484 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.425 4.971 4.744 1.00 0.00 O ATOM 549 OE2 GLU A 38 -17.693 7.074 4.682 1.00 0.00 O ATOM 0 H GLU A 38 -13.455 4.136 6.463 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.746 4.295 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.631 3.660 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.526 5.182 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.733 6.215 3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.462 4.662 3.063 1.00 0.00 H new ATOM 556 N PRO A 39 -13.179 6.969 5.461 1.00 0.00 N ATOM 557 CA PRO A 39 -12.783 8.366 5.414 1.00 0.00 C ATOM 558 C PRO A 39 -11.350 8.513 4.900 1.00 0.00 C ATOM 559 O PRO A 39 -11.100 9.253 3.950 1.00 0.00 O ATOM 560 CB PRO A 39 -12.958 8.873 6.836 1.00 0.00 C ATOM 561 CG PRO A 39 -12.999 7.635 7.718 1.00 0.00 C ATOM 562 CD PRO A 39 -13.202 6.428 6.817 1.00 0.00 C ATOM 0 HA PRO A 39 -13.387 8.950 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.135 9.528 7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.876 9.453 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.072 7.538 8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.809 7.710 8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.414 5.689 6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.148 5.931 7.029 1.00 0.00 H new ATOM 570 N GLN A 40 -10.445 7.794 5.549 1.00 0.00 N ATOM 571 CA GLN A 40 -9.044 7.835 5.169 1.00 0.00 C ATOM 572 C GLN A 40 -8.883 7.466 3.693 1.00 0.00 C ATOM 573 O GLN A 40 -8.293 8.221 2.921 1.00 0.00 O ATOM 574 CB GLN A 40 -8.207 6.913 6.059 1.00 0.00 C ATOM 575 CG GLN A 40 -6.975 6.400 5.312 1.00 0.00 C ATOM 576 CD GLN A 40 -5.801 6.189 6.271 1.00 0.00 C ATOM 577 OE1 GLN A 40 -5.070 7.106 6.609 1.00 0.00 O ATOM 578 NE2 GLN A 40 -5.662 4.934 6.688 1.00 0.00 N ATOM 0 H GLN A 40 -10.656 7.180 6.336 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.679 8.852 5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.896 7.451 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.814 6.070 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.213 5.462 4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.693 7.112 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.310 4.215 6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.908 4.691 7.330 1.00 0.00 H new ATOM 587 N LYS A 41 -9.418 6.305 3.345 1.00 0.00 N ATOM 588 CA LYS A 41 -9.341 5.826 1.975 1.00 0.00 C ATOM 589 C LYS A 41 -9.529 7.004 1.017 1.00 0.00 C ATOM 590 O LYS A 41 -8.670 7.271 0.179 1.00 0.00 O ATOM 591 CB LYS A 41 -10.334 4.685 1.750 1.00 0.00 C ATOM 592 CG LYS A 41 -10.535 4.419 0.256 1.00 0.00 C ATOM 593 CD LYS A 41 -11.646 3.393 0.026 1.00 0.00 C ATOM 594 CE LYS A 41 -13.002 3.944 0.472 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.093 3.036 0.053 1.00 0.00 N ATOM 0 H LYS A 41 -9.907 5.682 3.988 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.356 5.404 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.971 3.781 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.290 4.934 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.784 5.350 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.604 4.057 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.687 3.127 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.422 2.479 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.015 4.062 1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.159 4.933 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.006 3.424 0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.090 2.944 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.950 2.100 0.484 1.00 0.00 H new ATOM 609 N ASN A 42 -10.660 7.677 1.172 1.00 0.00 N ATOM 610 CA ASN A 42 -10.973 8.820 0.331 1.00 0.00 C ATOM 611 C ASN A 42 -9.859 9.862 0.460 1.00 0.00 C ATOM 612 O ASN A 42 -9.436 10.449 -0.535 1.00 0.00 O ATOM 613 CB ASN A 42 -12.286 9.476 0.760 1.00 0.00 C ATOM 614 CG ASN A 42 -13.488 8.730 0.179 1.00 0.00 C ATOM 615 OD1 ASN A 42 -13.812 8.839 -0.992 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.129 7.967 1.060 1.00 0.00 N ATOM 0 H ASN A 42 -11.371 7.452 1.868 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.065 8.468 -0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.352 9.488 1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.303 10.514 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.945 7.428 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.805 7.921 2.026 1.00 0.00 H new ATOM 623 N ARG A 43 -9.417 10.059 1.693 1.00 0.00 N ATOM 624 CA ARG A 43 -8.361 11.020 1.964 1.00 0.00 C ATOM 625 C ARG A 43 -7.080 10.623 1.227 1.00 0.00 C ATOM 626 O ARG A 43 -6.201 11.455 1.011 1.00 0.00 O ATOM 627 CB ARG A 43 -8.071 11.111 3.464 1.00 0.00 C ATOM 628 CG ARG A 43 -9.110 11.983 4.171 1.00 0.00 C ATOM 629 CD ARG A 43 -8.581 13.403 4.384 1.00 0.00 C ATOM 630 NE ARG A 43 -9.573 14.206 5.133 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.517 15.538 5.264 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.516 16.225 4.696 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.461 16.183 5.962 1.00 0.00 N ATOM 0 H ARG A 43 -9.770 9.570 2.515 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.700 11.994 1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.072 10.112 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.075 11.526 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.025 12.017 3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.369 11.539 5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.639 13.371 4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.374 13.871 3.422 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.348 13.714 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.797 15.734 4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.473 17.239 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.223 15.660 6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.418 17.197 6.062 1.00 0.00 H new ATOM 647 N ILE A 44 -7.015 9.351 0.862 1.00 0.00 N ATOM 648 CA ILE A 44 -5.857 8.833 0.154 1.00 0.00 C ATOM 649 C ILE A 44 -6.041 9.056 -1.348 1.00 0.00 C ATOM 650 O ILE A 44 -5.202 9.681 -1.994 1.00 0.00 O ATOM 651 CB ILE A 44 -5.606 7.372 0.533 1.00 0.00 C ATOM 652 CG1 ILE A 44 -5.548 7.202 2.053 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.347 6.837 -0.152 1.00 0.00 C ATOM 654 CD1 ILE A 44 -4.878 8.407 2.714 1.00 0.00 C ATOM 0 H ILE A 44 -7.746 8.663 1.044 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.957 9.373 0.449 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.446 6.777 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.557 7.080 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.997 6.294 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.191 5.797 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.466 6.902 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.486 7.430 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.850 8.261 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.861 8.511 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.445 9.309 2.485 1.00 0.00 H new ATOM 666 N LEU A 45 -7.145 8.532 -1.861 1.00 0.00 N ATOM 667 CA LEU A 45 -7.450 8.666 -3.275 1.00 0.00 C ATOM 668 C LEU A 45 -7.321 10.135 -3.683 1.00 0.00 C ATOM 669 O LEU A 45 -6.748 10.444 -4.727 1.00 0.00 O ATOM 670 CB LEU A 45 -8.820 8.059 -3.587 1.00 0.00 C ATOM 671 CG LEU A 45 -8.933 6.542 -3.429 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.550 5.900 -3.297 1.00 0.00 C ATOM 673 CD2 LEU A 45 -9.847 6.179 -2.257 1.00 0.00 C ATOM 0 H LEU A 45 -7.839 8.014 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.734 8.104 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.559 8.528 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.085 8.318 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.391 6.138 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.659 4.821 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.962 6.115 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.043 6.306 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.910 5.095 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.441 6.597 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.843 6.587 -2.432 1.00 0.00 H new ATOM 685 N GLU A 46 -7.862 11.000 -2.839 1.00 0.00 N ATOM 686 CA GLU A 46 -7.815 12.429 -3.099 1.00 0.00 C ATOM 687 C GLU A 46 -6.364 12.914 -3.135 1.00 0.00 C ATOM 688 O GLU A 46 -5.994 13.714 -3.993 1.00 0.00 O ATOM 689 CB GLU A 46 -8.626 13.204 -2.059 1.00 0.00 C ATOM 690 CG GLU A 46 -7.851 13.335 -0.746 1.00 0.00 C ATOM 691 CD GLU A 46 -8.617 14.199 0.258 1.00 0.00 C ATOM 692 OE1 GLU A 46 -9.695 13.741 0.695 1.00 0.00 O ATOM 693 OE2 GLU A 46 -8.107 15.298 0.566 1.00 0.00 O ATOM 0 H GLU A 46 -8.335 10.739 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.265 12.616 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.866 14.195 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.573 12.695 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.677 12.346 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.873 13.776 -0.939 1.00 0.00 H new ATOM 700 N GLU A 47 -5.582 12.409 -2.192 1.00 0.00 N ATOM 701 CA GLU A 47 -4.180 12.781 -2.105 1.00 0.00 C ATOM 702 C GLU A 47 -3.414 12.251 -3.319 1.00 0.00 C ATOM 703 O GLU A 47 -2.655 12.988 -3.948 1.00 0.00 O ATOM 704 CB GLU A 47 -3.558 12.274 -0.802 1.00 0.00 C ATOM 705 CG GLU A 47 -3.913 13.194 0.368 1.00 0.00 C ATOM 706 CD GLU A 47 -2.952 14.382 0.443 1.00 0.00 C ATOM 707 OE1 GLU A 47 -1.737 14.141 0.274 1.00 0.00 O ATOM 708 OE2 GLU A 47 -3.453 15.505 0.666 1.00 0.00 O ATOM 0 H GLU A 47 -5.892 11.746 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.113 13.869 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.911 11.264 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.475 12.218 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.935 13.555 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.876 12.632 1.301 1.00 0.00 H new ATOM 715 N ILE A 48 -3.639 10.979 -3.613 1.00 0.00 N ATOM 716 CA ILE A 48 -2.979 10.343 -4.740 1.00 0.00 C ATOM 717 C ILE A 48 -3.279 11.136 -6.014 1.00 0.00 C ATOM 718 O ILE A 48 -2.388 11.364 -6.831 1.00 0.00 O ATOM 719 CB ILE A 48 -3.372 8.867 -4.827 1.00 0.00 C ATOM 720 CG1 ILE A 48 -3.019 8.128 -3.535 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.744 8.204 -6.056 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.648 6.734 -3.511 1.00 0.00 C ATOM 0 H ILE A 48 -4.270 10.371 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.897 10.353 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.454 8.808 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.936 8.044 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.367 8.703 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.039 7.155 -6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.087 8.711 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.658 8.273 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.381 6.230 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.732 6.823 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.279 6.154 -4.357 1.00 0.00 H new ATOM 734 N GLU A 49 -4.536 11.533 -6.144 1.00 0.00 N ATOM 735 CA GLU A 49 -4.965 12.295 -7.304 1.00 0.00 C ATOM 736 C GLU A 49 -4.331 13.687 -7.288 1.00 0.00 C ATOM 737 O GLU A 49 -3.886 14.182 -8.322 1.00 0.00 O ATOM 738 CB GLU A 49 -6.490 12.387 -7.367 1.00 0.00 C ATOM 739 CG GLU A 49 -7.104 11.052 -7.792 1.00 0.00 C ATOM 740 CD GLU A 49 -7.597 11.110 -9.239 1.00 0.00 C ATOM 741 OE1 GLU A 49 -8.532 11.902 -9.488 1.00 0.00 O ATOM 742 OE2 GLU A 49 -7.029 10.362 -10.063 1.00 0.00 O ATOM 0 H GLU A 49 -5.272 11.341 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.629 11.774 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.881 12.677 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.782 13.166 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.364 10.258 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.934 10.803 -7.131 1.00 0.00 H new ATOM 749 N LYS A 50 -4.311 14.280 -6.103 1.00 0.00 N ATOM 750 CA LYS A 50 -3.739 15.606 -5.939 1.00 0.00 C ATOM 751 C LYS A 50 -2.216 15.517 -6.049 1.00 0.00 C ATOM 752 O LYS A 50 -1.548 16.521 -6.291 1.00 0.00 O ATOM 753 CB LYS A 50 -4.226 16.241 -4.635 1.00 0.00 C ATOM 754 CG LYS A 50 -3.123 16.229 -3.575 1.00 0.00 C ATOM 755 CD LYS A 50 -3.663 16.680 -2.216 1.00 0.00 C ATOM 756 CE LYS A 50 -4.662 17.828 -2.377 1.00 0.00 C ATOM 757 NZ LYS A 50 -4.723 18.638 -1.141 1.00 0.00 N ATOM 0 H LYS A 50 -4.682 13.867 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.078 16.269 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.544 17.267 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.097 15.699 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.707 15.225 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.310 16.886 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.146 15.841 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.837 16.998 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.369 18.457 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.650 17.429 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.405 19.413 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.024 18.037 -0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.783 19.034 -0.939 1.00 0.00 H new ATOM 771 N SER A 51 -1.711 14.305 -5.867 1.00 0.00 N ATOM 772 CA SER A 51 -0.279 14.072 -5.943 1.00 0.00 C ATOM 773 C SER A 51 0.137 13.840 -7.397 1.00 0.00 C ATOM 774 O SER A 51 -0.557 13.150 -8.143 1.00 0.00 O ATOM 775 CB SER A 51 0.132 12.880 -5.077 1.00 0.00 C ATOM 776 OG SER A 51 1.542 12.823 -4.880 1.00 0.00 O ATOM 0 H SER A 51 -2.268 13.474 -5.667 1.00 0.00 H new ATOM 0 HA SER A 51 0.232 14.956 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.367 12.946 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.206 11.957 -5.548 1.00 0.00 H new ATOM 0 HG SER A 51 1.821 13.561 -4.299 1.00 0.00 H new ATOM 782 N LYS A 52 1.268 14.430 -7.757 1.00 0.00 N ATOM 783 CA LYS A 52 1.784 14.296 -9.108 1.00 0.00 C ATOM 784 C LYS A 52 2.717 13.085 -9.176 1.00 0.00 C ATOM 785 O LYS A 52 3.527 12.971 -10.094 1.00 0.00 O ATOM 786 CB LYS A 52 2.439 15.602 -9.564 1.00 0.00 C ATOM 787 CG LYS A 52 1.427 16.503 -10.275 1.00 0.00 C ATOM 788 CD LYS A 52 0.714 17.420 -9.278 1.00 0.00 C ATOM 789 CE LYS A 52 1.259 18.847 -9.361 1.00 0.00 C ATOM 790 NZ LYS A 52 0.212 19.774 -9.845 1.00 0.00 N ATOM 0 H LYS A 52 1.841 15.002 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 52 0.970 14.112 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.855 16.125 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.270 15.382 -10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.936 17.105 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.694 15.890 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.357 17.423 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.844 17.035 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.610 19.166 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.118 18.876 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.598 20.738 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.104 19.478 -10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.595 19.759 -9.190 1.00 0.00 H new ATOM 804 N ALA A 53 2.572 12.211 -8.190 1.00 0.00 N ATOM 805 CA ALA A 53 3.391 11.012 -8.126 1.00 0.00 C ATOM 806 C ALA A 53 2.786 9.937 -9.030 1.00 0.00 C ATOM 807 O ALA A 53 1.569 9.878 -9.202 1.00 0.00 O ATOM 808 CB ALA A 53 3.510 10.552 -6.672 1.00 0.00 C ATOM 0 H ALA A 53 1.900 12.309 -7.429 1.00 0.00 H new ATOM 0 HA ALA A 53 4.399 11.216 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.124 9.653 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.973 11.340 -6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.518 10.335 -6.277 1.00 0.00 H new ATOM 814 N ASN A 54 3.663 9.113 -9.585 1.00 0.00 N ATOM 815 CA ASN A 54 3.230 8.043 -10.468 1.00 0.00 C ATOM 816 C ASN A 54 3.508 6.694 -9.801 1.00 0.00 C ATOM 817 O ASN A 54 3.001 5.664 -10.241 1.00 0.00 O ATOM 818 CB ASN A 54 3.993 8.081 -11.794 1.00 0.00 C ATOM 819 CG ASN A 54 5.452 8.483 -11.576 1.00 0.00 C ATOM 820 OD1 ASN A 54 5.760 9.543 -11.055 1.00 0.00 O ATOM 821 ND2 ASN A 54 6.332 7.581 -12.002 1.00 0.00 N ATOM 0 H ASN A 54 4.671 9.165 -9.440 1.00 0.00 H new ATOM 0 HA ASN A 54 2.165 8.174 -10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.949 7.102 -12.271 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.515 8.788 -12.473 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.332 7.757 -11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.007 6.714 -12.429 1.00 0.00 H new ATOM 828 N HIS A 55 4.312 6.745 -8.749 1.00 0.00 N ATOM 829 CA HIS A 55 4.664 5.540 -8.018 1.00 0.00 C ATOM 830 C HIS A 55 4.305 5.714 -6.540 1.00 0.00 C ATOM 831 O HIS A 55 4.889 6.548 -5.850 1.00 0.00 O ATOM 832 CB HIS A 55 6.136 5.183 -8.232 1.00 0.00 C ATOM 833 CG HIS A 55 6.499 3.784 -7.796 1.00 0.00 C ATOM 834 ND1 HIS A 55 7.758 3.242 -7.985 1.00 0.00 N ATOM 835 CD2 HIS A 55 5.755 2.822 -7.177 1.00 0.00 C ATOM 836 CE1 HIS A 55 7.761 2.010 -7.499 1.00 0.00 C ATOM 837 NE2 HIS A 55 6.519 1.751 -6.999 1.00 0.00 N ATOM 0 H HIS A 55 4.729 7.602 -8.386 1.00 0.00 H new ATOM 0 HA HIS A 55 4.088 4.698 -8.401 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.377 5.297 -9.289 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.755 5.895 -7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.720 2.916 -6.882 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.600 1.330 -7.499 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.225 0.878 -6.560 1.00 0.00 H new ATOM 845 N PHE A 56 3.347 4.912 -6.098 1.00 0.00 N ATOM 846 CA PHE A 56 2.904 4.967 -4.716 1.00 0.00 C ATOM 847 C PHE A 56 3.222 3.661 -3.986 1.00 0.00 C ATOM 848 O PHE A 56 3.582 2.666 -4.614 1.00 0.00 O ATOM 849 CB PHE A 56 1.388 5.169 -4.740 1.00 0.00 C ATOM 850 CG PHE A 56 0.948 6.517 -5.314 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.867 7.607 -4.504 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.638 6.626 -6.634 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.459 8.858 -5.037 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.230 7.877 -7.166 1.00 0.00 C ATOM 855 CZ PHE A 56 0.149 8.967 -6.357 1.00 0.00 C ATOM 0 H PHE A 56 2.866 4.221 -6.673 1.00 0.00 H new ATOM 0 HA PHE A 56 3.414 5.777 -4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.935 4.370 -5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.003 5.075 -3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.113 7.521 -3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.702 5.761 -7.277 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.395 9.723 -4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.016 7.963 -8.214 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.161 9.919 -6.762 1.00 0.00 H new ATOM 865 N LEU A 57 3.076 3.705 -2.670 1.00 0.00 N ATOM 866 CA LEU A 57 3.343 2.537 -1.848 1.00 0.00 C ATOM 867 C LEU A 57 2.502 2.614 -0.572 1.00 0.00 C ATOM 868 O LEU A 57 2.150 3.702 -0.121 1.00 0.00 O ATOM 869 CB LEU A 57 4.844 2.396 -1.588 1.00 0.00 C ATOM 870 CG LEU A 57 5.643 1.650 -2.658 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.156 2.613 -3.730 1.00 0.00 C ATOM 872 CD2 LEU A 57 6.776 0.837 -2.028 1.00 0.00 C ATOM 0 H LEU A 57 2.776 4.531 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 57 3.047 1.627 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.268 3.394 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.981 1.882 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 57 4.976 0.944 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.721 2.057 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.311 3.109 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.802 3.360 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.329 0.316 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.449 1.506 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.358 0.109 -1.333 1.00 0.00 H new ATOM 884 N ILE A 58 2.206 1.444 -0.025 1.00 0.00 N ATOM 885 CA ILE A 58 1.413 1.365 1.190 1.00 0.00 C ATOM 886 C ILE A 58 2.330 1.040 2.371 1.00 0.00 C ATOM 887 O ILE A 58 3.130 0.109 2.303 1.00 0.00 O ATOM 888 CB ILE A 58 0.261 0.373 1.015 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.698 0.835 -0.084 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.461 0.132 2.342 1.00 0.00 C ATOM 891 CD1 ILE A 58 -0.852 -0.238 -1.164 1.00 0.00 C ATOM 0 H ILE A 58 2.501 0.543 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 58 0.945 2.326 1.403 1.00 0.00 H new ATOM 0 HB ILE A 58 0.678 -0.583 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.672 1.062 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.326 1.756 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.275 -0.577 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.242 -0.273 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.865 1.074 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.539 0.116 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.120 -0.445 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.247 -1.150 -0.717 1.00 0.00 H new ATOM 903 N LEU A 59 2.182 1.827 3.427 1.00 0.00 N ATOM 904 CA LEU A 59 2.987 1.636 4.622 1.00 0.00 C ATOM 905 C LEU A 59 2.204 0.790 5.628 1.00 0.00 C ATOM 906 O LEU A 59 1.217 1.253 6.198 1.00 0.00 O ATOM 907 CB LEU A 59 3.449 2.984 5.179 1.00 0.00 C ATOM 908 CG LEU A 59 4.302 2.928 6.447 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.660 2.280 6.167 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.448 4.318 7.071 1.00 0.00 C ATOM 0 H LEU A 59 1.517 2.598 3.480 1.00 0.00 H new ATOM 0 HA LEU A 59 3.898 1.088 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.018 3.499 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.567 3.591 5.384 1.00 0.00 H new ATOM 0 HG LEU A 59 3.790 2.300 7.176 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.246 2.253 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.510 1.264 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.192 2.861 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.059 4.250 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.926 4.989 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.463 4.706 7.329 1.00 0.00 H new ATOM 922 N PHE A 60 2.674 -0.434 5.817 1.00 0.00 N ATOM 923 CA PHE A 60 2.031 -1.348 6.745 1.00 0.00 C ATOM 924 C PHE A 60 2.671 -1.262 8.132 1.00 0.00 C ATOM 925 O PHE A 60 3.637 -0.527 8.329 1.00 0.00 O ATOM 926 CB PHE A 60 2.229 -2.761 6.191 1.00 0.00 C ATOM 927 CG PHE A 60 1.522 -3.012 4.858 1.00 0.00 C ATOM 928 CD1 PHE A 60 0.218 -2.657 4.702 1.00 0.00 C ATOM 929 CD2 PHE A 60 2.197 -3.589 3.828 1.00 0.00 C ATOM 930 CE1 PHE A 60 -0.438 -2.890 3.465 1.00 0.00 C ATOM 931 CE2 PHE A 60 1.541 -3.822 2.591 1.00 0.00 C ATOM 932 CZ PHE A 60 0.237 -3.467 2.435 1.00 0.00 C ATOM 0 H PHE A 60 3.493 -0.814 5.343 1.00 0.00 H new ATOM 0 HA PHE A 60 0.976 -1.095 6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.296 -2.944 6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.866 -3.482 6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.318 -2.198 5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.232 -3.870 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.473 -2.609 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.077 -4.281 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.262 -3.643 1.494 1.00 0.00 H new ATOM 942 N ARG A 61 2.106 -2.024 9.057 1.00 0.00 N ATOM 943 CA ARG A 61 2.609 -2.043 10.420 1.00 0.00 C ATOM 944 C ARG A 61 3.925 -2.821 10.489 1.00 0.00 C ATOM 945 O ARG A 61 4.938 -2.295 10.947 1.00 0.00 O ATOM 946 CB ARG A 61 1.596 -2.681 11.373 1.00 0.00 C ATOM 947 CG ARG A 61 1.902 -2.313 12.826 1.00 0.00 C ATOM 948 CD ARG A 61 1.361 -0.923 13.164 1.00 0.00 C ATOM 949 NE ARG A 61 1.399 -0.708 14.628 1.00 0.00 N ATOM 950 CZ ARG A 61 0.626 -1.364 15.504 1.00 0.00 C ATOM 951 NH1 ARG A 61 -0.249 -2.280 15.070 1.00 0.00 N ATOM 952 NH2 ARG A 61 0.729 -1.103 16.815 1.00 0.00 N ATOM 0 H ARG A 61 1.305 -2.633 8.889 1.00 0.00 H new ATOM 0 HA ARG A 61 2.777 -1.010 10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.590 -2.350 11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.615 -3.765 11.257 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.459 -3.052 13.493 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.979 -2.339 12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.955 -0.160 12.660 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.339 -0.823 12.800 1.00 0.00 H new ATOM 0 HE ARG A 61 2.055 -0.017 14.993 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.327 -2.478 14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.837 -2.779 15.737 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.396 -0.405 17.145 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.141 -1.602 17.482 1.00 0.00 H new ATOM 966 N ASP A 62 3.866 -4.062 10.028 1.00 0.00 N ATOM 967 CA ASP A 62 5.041 -4.917 10.032 1.00 0.00 C ATOM 968 C ASP A 62 4.676 -6.279 9.436 1.00 0.00 C ATOM 969 O ASP A 62 5.384 -6.791 8.571 1.00 0.00 O ATOM 970 CB ASP A 62 5.551 -5.146 11.456 1.00 0.00 C ATOM 971 CG ASP A 62 7.068 -5.036 11.625 1.00 0.00 C ATOM 972 OD1 ASP A 62 7.556 -3.885 11.634 1.00 0.00 O ATOM 973 OD2 ASP A 62 7.705 -6.105 11.741 1.00 0.00 O ATOM 0 H ASP A 62 3.024 -4.495 9.650 1.00 0.00 H new ATOM 0 HA ASP A 62 5.818 -4.426 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.073 -4.423 12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.235 -6.136 11.784 1.00 0.00 H new ATOM 978 N SER A 63 3.572 -6.826 9.923 1.00 0.00 N ATOM 979 CA SER A 63 3.105 -8.118 9.449 1.00 0.00 C ATOM 980 C SER A 63 1.604 -8.058 9.161 1.00 0.00 C ATOM 981 O SER A 63 1.148 -8.539 8.125 1.00 0.00 O ATOM 982 CB SER A 63 3.406 -9.219 10.468 1.00 0.00 C ATOM 983 OG SER A 63 2.871 -8.918 11.754 1.00 0.00 O ATOM 0 H SER A 63 2.987 -6.398 10.641 1.00 0.00 H new ATOM 0 HA SER A 63 3.636 -8.357 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.991 -10.163 10.115 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.485 -9.355 10.547 1.00 0.00 H new ATOM 0 HG SER A 63 3.083 -9.646 12.375 1.00 0.00 H new ATOM 989 N SER A 64 0.877 -7.462 10.095 1.00 0.00 N ATOM 990 CA SER A 64 -0.563 -7.333 9.954 1.00 0.00 C ATOM 991 C SER A 64 -0.921 -7.024 8.499 1.00 0.00 C ATOM 992 O SER A 64 -1.954 -7.467 8.002 1.00 0.00 O ATOM 993 CB SER A 64 -1.112 -6.245 10.878 1.00 0.00 C ATOM 994 OG SER A 64 -1.526 -6.771 12.136 1.00 0.00 O ATOM 0 H SER A 64 1.259 -7.063 10.953 1.00 0.00 H new ATOM 0 HA SER A 64 -1.020 -8.280 10.241 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.347 -5.485 11.037 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.956 -5.752 10.396 1.00 0.00 H new ATOM 0 HG SER A 64 -1.869 -6.045 12.697 1.00 0.00 H new ATOM 1000 N CYS A 65 -0.045 -6.264 7.856 1.00 0.00 N ATOM 1001 CA CYS A 65 -0.255 -5.890 6.468 1.00 0.00 C ATOM 1002 C CYS A 65 -1.464 -4.955 6.401 1.00 0.00 C ATOM 1003 O CYS A 65 -2.299 -5.077 5.506 1.00 0.00 O ATOM 1004 CB CYS A 65 -0.433 -7.117 5.572 1.00 0.00 C ATOM 1005 SG CYS A 65 0.838 -7.120 4.255 1.00 0.00 S ATOM 0 H CYS A 65 0.811 -5.898 8.271 1.00 0.00 H new ATOM 0 HA CYS A 65 0.626 -5.371 6.091 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.354 -8.027 6.167 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.428 -7.112 5.128 1.00 0.00 H new ATOM 0 HG CYS A 65 1.107 -5.896 3.908 1.00 0.00 H new ATOM 1011 N GLN A 66 -1.520 -4.041 7.359 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.613 -3.086 7.419 1.00 0.00 C ATOM 1013 C GLN A 66 -2.110 -1.682 7.078 1.00 0.00 C ATOM 1014 O GLN A 66 -1.253 -1.139 7.773 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.285 -3.108 8.794 1.00 0.00 C ATOM 1016 CG GLN A 66 -2.333 -2.597 9.878 1.00 0.00 C ATOM 1017 CD GLN A 66 -2.908 -2.847 11.274 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -3.204 -3.966 11.660 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -3.048 -1.746 12.006 1.00 0.00 N ATOM 0 H GLN A 66 -0.826 -3.942 8.100 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.361 -3.373 6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.183 -2.491 8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.601 -4.124 9.032 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.368 -3.095 9.784 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.157 -1.530 9.739 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.780 -0.840 11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.423 -1.807 12.953 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.664 -1.134 6.006 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.283 0.197 5.564 1.00 0.00 C ATOM 1030 C PHE A 67 -2.240 1.174 6.739 1.00 0.00 C ATOM 1031 O PHE A 67 -3.210 1.295 7.487 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.349 0.660 4.569 1.00 0.00 C ATOM 1033 CG PHE A 67 -3.182 2.110 4.109 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.533 3.130 4.937 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.684 2.378 2.872 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -3.379 4.476 4.510 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.530 3.723 2.445 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.880 4.744 3.273 1.00 0.00 C ATOM 0 H PHE A 67 -3.374 -1.588 5.431 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.291 0.169 5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.325 0.007 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.332 0.545 5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.929 2.917 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.406 1.568 2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.658 5.286 5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.135 3.936 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.762 5.767 2.948 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.106 1.848 6.867 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.924 2.811 7.939 1.00 0.00 C ATOM 1050 C ARG A 68 -0.797 4.225 7.367 1.00 0.00 C ATOM 1051 O ARG A 68 -1.126 5.202 8.038 1.00 0.00 O ATOM 1052 CB ARG A 68 0.323 2.488 8.765 1.00 0.00 C ATOM 1053 CG ARG A 68 0.112 1.227 9.605 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.803 1.510 10.798 1.00 0.00 C ATOM 1055 NE ARG A 68 -0.044 2.199 11.866 1.00 0.00 N ATOM 1056 CZ ARG A 68 -0.440 2.266 13.144 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -1.588 1.687 13.522 1.00 0.00 N ATOM 1058 NH2 ARG A 68 0.313 2.913 14.045 1.00 0.00 N ATOM 0 H ARG A 68 -0.304 1.746 6.245 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.799 2.755 8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.177 2.349 8.102 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.559 3.329 9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.323 0.442 8.986 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.074 0.857 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.645 2.127 10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.217 0.576 11.179 1.00 0.00 H new ATOM 0 HE ARG A 68 0.835 2.651 11.613 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.161 1.195 12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.889 1.738 14.495 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.187 3.354 13.757 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.012 2.965 15.018 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.318 4.288 6.133 1.00 0.00 N ATOM 1073 CA ALA A 69 -0.143 5.565 5.463 1.00 0.00 C ATOM 1074 C ALA A 69 0.252 5.322 4.005 1.00 0.00 C ATOM 1075 O ALA A 69 0.784 4.264 3.671 1.00 0.00 O ATOM 1076 CB ALA A 69 0.894 6.400 6.217 1.00 0.00 C ATOM 0 H ALA A 69 -0.046 3.475 5.580 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.076 6.128 5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.025 7.358 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.552 6.570 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.845 5.868 6.237 1.00 0.00 H new ATOM 1082 N LEU A 70 -0.022 6.318 3.176 1.00 0.00 N ATOM 1083 CA LEU A 70 0.299 6.225 1.762 1.00 0.00 C ATOM 1084 C LEU A 70 1.493 7.131 1.454 1.00 0.00 C ATOM 1085 O LEU A 70 1.582 8.244 1.971 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.937 6.527 0.912 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.764 6.373 -0.601 1.00 0.00 C ATOM 1088 CD1 LEU A 70 0.001 7.560 -1.189 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -0.100 5.037 -0.944 1.00 0.00 C ATOM 0 H LEU A 70 -0.463 7.194 3.456 1.00 0.00 H new ATOM 0 HA LEU A 70 0.595 5.208 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.745 5.870 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.255 7.549 1.119 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.753 6.368 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.110 7.425 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.549 8.481 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.987 7.621 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.011 4.953 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.882 4.987 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.720 4.218 -0.578 1.00 0.00 H new ATOM 1101 N TYR A 71 2.381 6.620 0.614 1.00 0.00 N ATOM 1102 CA TYR A 71 3.566 7.369 0.231 1.00 0.00 C ATOM 1103 C TYR A 71 3.781 7.318 -1.283 1.00 0.00 C ATOM 1104 O TYR A 71 3.085 6.589 -1.989 1.00 0.00 O ATOM 1105 CB TYR A 71 4.742 6.680 0.924 1.00 0.00 C ATOM 1106 CG TYR A 71 4.881 7.028 2.407 1.00 0.00 C ATOM 1107 CD1 TYR A 71 3.909 6.633 3.303 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.979 7.739 2.849 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.040 6.961 4.699 1.00 0.00 C ATOM 1110 CE2 TYR A 71 6.110 8.067 4.245 1.00 0.00 C ATOM 1111 CZ TYR A 71 5.134 7.662 5.101 1.00 0.00 C ATOM 1112 OH TYR A 71 5.257 7.972 6.420 1.00 0.00 O ATOM 0 H TYR A 71 2.304 5.697 0.188 1.00 0.00 H new ATOM 0 HA TYR A 71 3.467 8.416 0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.628 5.601 0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.664 6.952 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.050 6.078 2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.740 8.049 2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.287 6.657 5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.964 8.622 4.604 1.00 0.00 H new ATOM 0 HH TYR A 71 6.030 8.561 6.547 1.00 0.00 H new ATOM 1122 N THR A 72 4.748 8.101 -1.738 1.00 0.00 N ATOM 1123 CA THR A 72 5.063 8.154 -3.156 1.00 0.00 C ATOM 1124 C THR A 72 6.565 7.965 -3.375 1.00 0.00 C ATOM 1125 O THR A 72 7.378 8.659 -2.765 1.00 0.00 O ATOM 1126 CB THR A 72 4.530 9.477 -3.709 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.705 10.398 -2.636 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.017 9.450 -3.934 1.00 0.00 C ATOM 0 H THR A 72 5.324 8.704 -1.150 1.00 0.00 H new ATOM 0 HA THR A 72 4.582 7.341 -3.699 1.00 0.00 H new ATOM 0 HB THR A 72 5.033 9.706 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.386 11.283 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.690 10.413 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.769 8.664 -4.647 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.512 9.254 -2.988 1.00 0.00 H new ATOM 1136 N LEU A 73 6.889 7.023 -4.248 1.00 0.00 N ATOM 1137 CA LEU A 73 8.280 6.734 -4.556 1.00 0.00 C ATOM 1138 C LEU A 73 8.848 7.855 -5.428 1.00 0.00 C ATOM 1139 O LEU A 73 8.218 8.271 -6.399 1.00 0.00 O ATOM 1140 CB LEU A 73 8.413 5.342 -5.178 1.00 0.00 C ATOM 1141 CG LEU A 73 9.809 4.961 -5.675 1.00 0.00 C ATOM 1142 CD1 LEU A 73 10.878 5.338 -4.648 1.00 0.00 C ATOM 1143 CD2 LEU A 73 9.871 3.478 -6.048 1.00 0.00 C ATOM 0 H LEU A 73 6.213 6.450 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 73 8.875 6.708 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.098 4.604 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.719 5.272 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 73 10.017 5.531 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.861 5.056 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.851 6.413 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.685 4.813 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.874 3.233 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.634 2.873 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.150 3.271 -6.839 1.00 0.00 H new ATOM 1155 N SER A 74 10.034 8.311 -5.051 1.00 0.00 N ATOM 1156 CA SER A 74 10.694 9.376 -5.788 1.00 0.00 C ATOM 1157 C SER A 74 11.371 8.807 -7.036 1.00 0.00 C ATOM 1158 O SER A 74 12.274 7.978 -6.933 1.00 0.00 O ATOM 1159 CB SER A 74 11.719 10.098 -4.911 1.00 0.00 C ATOM 1160 OG SER A 74 11.096 10.858 -3.878 1.00 0.00 O ATOM 0 H SER A 74 10.554 7.963 -4.246 1.00 0.00 H new ATOM 0 HA SER A 74 9.939 10.101 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.395 9.367 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.326 10.758 -5.531 1.00 0.00 H new ATOM 0 HG SER A 74 11.783 11.303 -3.339 1.00 0.00 H new ATOM 1166 N GLY A 75 10.909 9.274 -8.186 1.00 0.00 N ATOM 1167 CA GLY A 75 11.459 8.822 -9.453 1.00 0.00 C ATOM 1168 C GLY A 75 12.915 9.266 -9.608 1.00 0.00 C ATOM 1169 O GLY A 75 13.685 8.637 -10.333 1.00 0.00 O ATOM 0 H GLY A 75 10.160 9.961 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.398 7.735 -9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.864 9.221 -10.275 1.00 0.00 H new ATOM 1173 N GLU A 76 13.248 10.345 -8.916 1.00 0.00 N ATOM 1174 CA GLU A 76 14.598 10.880 -8.967 1.00 0.00 C ATOM 1175 C GLU A 76 15.548 10.003 -8.148 1.00 0.00 C ATOM 1176 O GLU A 76 16.730 9.895 -8.470 1.00 0.00 O ATOM 1177 CB GLU A 76 14.633 12.330 -8.480 1.00 0.00 C ATOM 1178 CG GLU A 76 14.198 12.427 -7.016 1.00 0.00 C ATOM 1179 CD GLU A 76 12.950 13.300 -6.871 1.00 0.00 C ATOM 1180 OE1 GLU A 76 13.004 14.451 -7.355 1.00 0.00 O ATOM 1181 OE2 GLU A 76 11.971 12.796 -6.280 1.00 0.00 O ATOM 0 H GLU A 76 12.606 10.864 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 76 14.931 10.872 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.641 12.731 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.977 12.941 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.995 11.429 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.009 12.844 -6.419 1.00 0.00 H new ATOM 1188 N THR A 77 14.995 9.401 -7.106 1.00 0.00 N ATOM 1189 CA THR A 77 15.779 8.538 -6.238 1.00 0.00 C ATOM 1190 C THR A 77 15.021 7.240 -5.952 1.00 0.00 C ATOM 1191 O THR A 77 14.302 6.733 -6.813 1.00 0.00 O ATOM 1192 CB THR A 77 16.129 9.328 -4.976 1.00 0.00 C ATOM 1193 OG1 THR A 77 14.877 9.503 -4.317 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.589 10.754 -5.287 1.00 0.00 C ATOM 0 H THR A 77 14.014 9.493 -6.843 1.00 0.00 H new ATOM 0 HA THR A 77 16.710 8.235 -6.717 1.00 0.00 H new ATOM 0 HB THR A 77 16.912 8.806 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.021 9.557 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 77 16.825 11.271 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.477 10.720 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.793 11.288 -5.807 1.00 0.00 H new ATOM 1202 N GLU A 78 15.206 6.739 -4.740 1.00 0.00 N ATOM 1203 CA GLU A 78 14.549 5.510 -4.329 1.00 0.00 C ATOM 1204 C GLU A 78 13.826 5.714 -2.996 1.00 0.00 C ATOM 1205 O GLU A 78 13.265 4.772 -2.439 1.00 0.00 O ATOM 1206 CB GLU A 78 15.550 4.356 -4.239 1.00 0.00 C ATOM 1207 CG GLU A 78 16.289 4.166 -5.565 1.00 0.00 C ATOM 1208 CD GLU A 78 17.237 2.967 -5.497 1.00 0.00 C ATOM 1209 OE1 GLU A 78 18.207 3.054 -4.715 1.00 0.00 O ATOM 1210 OE2 GLU A 78 16.969 1.990 -6.230 1.00 0.00 O ATOM 0 H GLU A 78 15.802 7.162 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 78 13.809 5.247 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.268 4.554 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.028 3.437 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.568 4.019 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.853 5.067 -5.803 1.00 0.00 H new ATOM 1217 N GLU A 79 13.862 6.952 -2.524 1.00 0.00 N ATOM 1218 CA GLU A 79 13.218 7.292 -1.267 1.00 0.00 C ATOM 1219 C GLU A 79 11.712 7.470 -1.474 1.00 0.00 C ATOM 1220 O GLU A 79 11.256 7.668 -2.598 1.00 0.00 O ATOM 1221 CB GLU A 79 13.839 8.548 -0.654 1.00 0.00 C ATOM 1222 CG GLU A 79 15.245 8.262 -0.123 1.00 0.00 C ATOM 1223 CD GLU A 79 16.235 8.060 -1.273 1.00 0.00 C ATOM 1224 OE1 GLU A 79 16.619 9.085 -1.877 1.00 0.00 O ATOM 1225 OE2 GLU A 79 16.585 6.887 -1.522 1.00 0.00 O ATOM 0 H GLU A 79 14.327 7.731 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 79 13.375 6.471 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.883 9.339 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.207 8.912 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.576 9.089 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.226 7.372 0.506 1.00 0.00 H new ATOM 1232 N LEU A 80 10.982 7.392 -0.370 1.00 0.00 N ATOM 1233 CA LEU A 80 9.538 7.542 -0.417 1.00 0.00 C ATOM 1234 C LEU A 80 9.125 8.732 0.452 1.00 0.00 C ATOM 1235 O LEU A 80 9.558 8.849 1.597 1.00 0.00 O ATOM 1236 CB LEU A 80 8.850 6.231 -0.030 1.00 0.00 C ATOM 1237 CG LEU A 80 8.958 5.092 -1.047 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.485 3.816 -0.388 1.00 0.00 C ATOM 1239 CD2 LEU A 80 7.621 4.861 -1.755 1.00 0.00 C ATOM 0 H LEU A 80 11.364 7.227 0.561 1.00 0.00 H new ATOM 0 HA LEU A 80 9.211 7.759 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.270 5.888 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.794 6.436 0.146 1.00 0.00 H new ATOM 0 HG LEU A 80 9.681 5.382 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.552 3.023 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.473 4.005 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.806 3.510 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.725 4.047 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.860 4.602 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.325 5.770 -2.279 1.00 0.00 H new ATOM 1251 N SER A 81 8.293 9.585 -0.127 1.00 0.00 N ATOM 1252 CA SER A 81 7.816 10.762 0.580 1.00 0.00 C ATOM 1253 C SER A 81 6.452 10.477 1.211 1.00 0.00 C ATOM 1254 O SER A 81 5.650 9.730 0.653 1.00 0.00 O ATOM 1255 CB SER A 81 7.726 11.968 -0.357 1.00 0.00 C ATOM 1256 OG SER A 81 7.551 13.188 0.359 1.00 0.00 O ATOM 0 H SER A 81 7.937 9.485 -1.078 1.00 0.00 H new ATOM 0 HA SER A 81 8.530 11.001 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.633 12.028 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.894 11.830 -1.047 1.00 0.00 H new ATOM 0 HG SER A 81 7.500 13.934 -0.274 1.00 0.00 H new ATOM 1262 N ARG A 82 6.231 11.087 2.366 1.00 0.00 N ATOM 1263 CA ARG A 82 4.978 10.908 3.079 1.00 0.00 C ATOM 1264 C ARG A 82 3.868 11.727 2.416 1.00 0.00 C ATOM 1265 O ARG A 82 3.799 12.943 2.593 1.00 0.00 O ATOM 1266 CB ARG A 82 5.111 11.334 4.543 1.00 0.00 C ATOM 1267 CG ARG A 82 3.844 10.994 5.330 1.00 0.00 C ATOM 1268 CD ARG A 82 3.526 12.084 6.355 1.00 0.00 C ATOM 1269 NE ARG A 82 2.081 12.402 6.325 1.00 0.00 N ATOM 1270 CZ ARG A 82 1.547 13.521 6.833 1.00 0.00 C ATOM 1271 NH1 ARG A 82 2.335 14.436 7.413 1.00 0.00 N ATOM 1272 NH2 ARG A 82 0.225 13.725 6.761 1.00 0.00 N ATOM 0 H ARG A 82 6.899 11.706 2.826 1.00 0.00 H new ATOM 0 HA ARG A 82 4.724 9.849 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.969 10.835 4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.301 12.406 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.005 10.879 4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.973 10.038 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.813 11.751 7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.108 12.980 6.138 1.00 0.00 H new ATOM 0 HE ARG A 82 1.452 11.727 5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.342 14.281 7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.928 15.288 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.375 13.028 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.181 14.577 7.148 1.00 0.00 H new ATOM 1286 N LEU A 83 3.028 11.029 1.667 1.00 0.00 N ATOM 1287 CA LEU A 83 1.925 11.676 0.977 1.00 0.00 C ATOM 1288 C LEU A 83 0.874 12.111 2.000 1.00 0.00 C ATOM 1289 O LEU A 83 0.593 13.300 2.139 1.00 0.00 O ATOM 1290 CB LEU A 83 1.374 10.767 -0.123 1.00 0.00 C ATOM 1291 CG LEU A 83 0.253 11.356 -0.982 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.710 12.642 -1.673 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.273 10.324 -1.981 1.00 0.00 C ATOM 0 H LEU A 83 3.089 10.021 1.523 1.00 0.00 H new ATOM 0 HA LEU A 83 2.269 12.578 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.197 10.484 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.007 9.851 0.340 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.577 11.620 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.105 13.040 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.997 13.377 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.565 12.427 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.069 10.769 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.538 10.005 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.664 9.461 -1.441 1.00 0.00 H new ATOM 1305 N ALA A 84 0.321 11.124 2.689 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.693 11.389 3.695 1.00 0.00 C ATOM 1307 C ALA A 84 -0.667 10.278 4.746 1.00 0.00 C ATOM 1308 O ALA A 84 -0.093 9.214 4.515 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.060 11.521 3.019 1.00 0.00 C ATOM 0 H ALA A 84 0.556 10.139 2.570 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.489 12.330 4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.821 11.720 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.034 12.343 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.299 10.594 2.498 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.294 10.562 5.877 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.350 9.600 6.964 1.00 0.00 C ATOM 1317 C GLY A 85 -0.547 10.089 8.171 1.00 0.00 C ATOM 1318 O GLY A 85 -0.711 11.226 8.611 1.00 0.00 O ATOM 0 H GLY A 85 -1.768 11.445 6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.387 9.435 7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.958 8.641 6.626 1.00 0.00 H new ATOM 1322 N TYR A 86 0.305 9.206 8.673 1.00 0.00 N ATOM 1323 CA TYR A 86 1.133 9.534 9.820 1.00 0.00 C ATOM 1324 C TYR A 86 2.330 8.586 9.921 1.00 0.00 C ATOM 1325 O TYR A 86 2.159 7.370 9.995 1.00 0.00 O ATOM 1326 CB TYR A 86 0.244 9.345 11.051 1.00 0.00 C ATOM 1327 CG TYR A 86 -0.532 10.600 11.456 1.00 0.00 C ATOM 1328 CD1 TYR A 86 0.142 11.778 11.704 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -1.906 10.554 11.572 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -0.588 12.959 12.085 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -2.637 11.735 11.953 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.941 12.880 12.191 1.00 0.00 C ATOM 1333 OH TYR A 86 -2.631 13.995 12.551 1.00 0.00 O ATOM 0 H TYR A 86 0.439 8.264 8.306 1.00 0.00 H new ATOM 0 HA TYR A 86 1.520 10.550 9.735 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.464 8.540 10.855 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.864 9.027 11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.217 11.814 11.612 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.434 9.632 11.377 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -0.072 13.887 12.282 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.713 11.712 12.048 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.589 13.790 12.585 1.00 0.00 H new ATOM 1343 N GLY A 87 3.515 9.178 9.920 1.00 0.00 N ATOM 1344 CA GLY A 87 4.740 8.401 10.011 1.00 0.00 C ATOM 1345 C GLY A 87 5.966 9.277 9.743 1.00 0.00 C ATOM 1346 O GLY A 87 5.951 10.474 10.024 1.00 0.00 O ATOM 0 H GLY A 87 3.653 10.187 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.818 7.953 11.002 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.710 7.582 9.292 1.00 0.00 H new ATOM 1350 N PRO A 88 7.024 8.629 9.187 1.00 0.00 N ATOM 1351 CA PRO A 88 8.256 9.336 8.878 1.00 0.00 C ATOM 1352 C PRO A 88 8.090 10.207 7.630 1.00 0.00 C ATOM 1353 O PRO A 88 7.679 9.719 6.579 1.00 0.00 O ATOM 1354 CB PRO A 88 9.302 8.247 8.706 1.00 0.00 C ATOM 1355 CG PRO A 88 8.529 6.961 8.467 1.00 0.00 C ATOM 1356 CD PRO A 88 7.077 7.212 8.839 1.00 0.00 C ATOM 0 HA PRO A 88 8.550 10.032 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.962 8.468 7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.931 8.166 9.593 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.608 6.657 7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.942 6.151 9.068 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.410 6.983 8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.769 6.587 9.677 1.00 0.00 H new ATOM 1364 N ARG A 89 8.418 11.481 7.789 1.00 0.00 N ATOM 1365 CA ARG A 89 8.310 12.424 6.689 1.00 0.00 C ATOM 1366 C ARG A 89 8.703 11.751 5.373 1.00 0.00 C ATOM 1367 O ARG A 89 8.036 11.933 4.355 1.00 0.00 O ATOM 1368 CB ARG A 89 9.206 13.643 6.919 1.00 0.00 C ATOM 1369 CG ARG A 89 8.870 14.764 5.934 1.00 0.00 C ATOM 1370 CD ARG A 89 8.986 16.135 6.603 1.00 0.00 C ATOM 1371 NE ARG A 89 9.352 17.159 5.599 1.00 0.00 N ATOM 1372 CZ ARG A 89 9.516 18.459 5.878 1.00 0.00 C ATOM 1373 NH1 ARG A 89 9.349 18.902 7.132 1.00 0.00 N ATOM 1374 NH2 ARG A 89 9.848 19.317 4.904 1.00 0.00 N ATOM 0 H ARG A 89 8.759 11.882 8.663 1.00 0.00 H new ATOM 0 HA ARG A 89 7.273 12.755 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 89 9.082 14.002 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.252 13.357 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.543 14.715 5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.858 14.626 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.040 16.399 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.738 16.102 7.391 1.00 0.00 H new ATOM 0 HE ARG A 89 9.488 16.856 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.097 18.249 7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.474 19.892 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.976 18.980 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.973 20.307 5.117 1.00 0.00 H new ATOM 1388 N THR A 90 9.784 10.988 5.435 1.00 0.00 N ATOM 1389 CA THR A 90 10.274 10.287 4.260 1.00 0.00 C ATOM 1390 C THR A 90 10.780 8.895 4.642 1.00 0.00 C ATOM 1391 O THR A 90 10.926 8.586 5.824 1.00 0.00 O ATOM 1392 CB THR A 90 11.341 11.161 3.599 1.00 0.00 C ATOM 1393 OG1 THR A 90 10.593 12.144 2.887 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.113 10.418 2.507 1.00 0.00 C ATOM 0 H THR A 90 10.335 10.840 6.281 1.00 0.00 H new ATOM 0 HA THR A 90 9.476 10.121 3.537 1.00 0.00 H new ATOM 0 HB THR A 90 12.038 11.518 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.208 12.755 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.858 11.084 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.611 9.550 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.421 10.090 1.731 1.00 0.00 H new ATOM 1402 N VAL A 91 11.035 8.091 3.620 1.00 0.00 N ATOM 1403 CA VAL A 91 11.522 6.739 3.834 1.00 0.00 C ATOM 1404 C VAL A 91 12.632 6.436 2.826 1.00 0.00 C ATOM 1405 O VAL A 91 12.572 6.878 1.679 1.00 0.00 O ATOM 1406 CB VAL A 91 10.360 5.747 3.760 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.870 4.304 3.773 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.362 5.986 4.894 1.00 0.00 C ATOM 0 H VAL A 91 10.913 8.350 2.641 1.00 0.00 H new ATOM 0 HA VAL A 91 11.953 6.641 4.831 1.00 0.00 H new ATOM 0 HB VAL A 91 9.839 5.910 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.024 3.619 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.524 4.141 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.426 4.123 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.546 5.267 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.865 5.864 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.963 6.998 4.820 1.00 0.00 H new ATOM 1418 N THR A 92 13.620 5.684 3.289 1.00 0.00 N ATOM 1419 CA THR A 92 14.742 5.317 2.442 1.00 0.00 C ATOM 1420 C THR A 92 14.807 3.798 2.273 1.00 0.00 C ATOM 1421 O THR A 92 14.170 3.058 3.021 1.00 0.00 O ATOM 1422 CB THR A 92 16.011 5.916 3.052 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.323 5.040 4.132 1.00 0.00 O ATOM 1424 CG2 THR A 92 15.755 7.265 3.728 1.00 0.00 C ATOM 0 H THR A 92 13.667 5.319 4.240 1.00 0.00 H new ATOM 0 HA THR A 92 14.627 5.720 1.436 1.00 0.00 H new ATOM 0 HB THR A 92 16.766 6.037 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.135 5.353 4.583 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.688 7.646 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.369 7.972 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.026 7.138 4.528 1.00 0.00 H new ATOM 1432 N PRO A 93 15.605 3.367 1.259 1.00 0.00 N ATOM 1433 CA PRO A 93 15.762 1.949 0.982 1.00 0.00 C ATOM 1434 C PRO A 93 16.666 1.284 2.022 1.00 0.00 C ATOM 1435 O PRO A 93 16.828 0.065 2.020 1.00 0.00 O ATOM 1436 CB PRO A 93 16.329 1.884 -0.427 1.00 0.00 C ATOM 1437 CG PRO A 93 16.902 3.263 -0.709 1.00 0.00 C ATOM 1438 CD PRO A 93 16.375 4.214 0.353 1.00 0.00 C ATOM 0 HA PRO A 93 14.822 1.401 1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.100 1.118 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.553 1.628 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.991 3.235 -0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.610 3.602 -1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.190 4.715 0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.752 4.993 -0.087 1.00 0.00 H new ATOM 1446 N ALA A 94 17.230 2.115 2.886 1.00 0.00 N ATOM 1447 CA ALA A 94 18.114 1.622 3.929 1.00 0.00 C ATOM 1448 C ALA A 94 17.288 1.276 5.170 1.00 0.00 C ATOM 1449 O ALA A 94 17.774 0.601 6.075 1.00 0.00 O ATOM 1450 CB ALA A 94 19.192 2.668 4.220 1.00 0.00 C ATOM 0 H ALA A 94 17.092 3.126 2.885 1.00 0.00 H new ATOM 0 HA ALA A 94 18.620 0.712 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.855 2.299 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.769 2.858 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.721 3.594 4.551 1.00 0.00 H new ATOM 1456 N MET A 95 16.052 1.755 5.171 1.00 0.00 N ATOM 1457 CA MET A 95 15.154 1.505 6.286 1.00 0.00 C ATOM 1458 C MET A 95 14.123 0.432 5.929 1.00 0.00 C ATOM 1459 O MET A 95 13.589 -0.238 6.811 1.00 0.00 O ATOM 1460 CB MET A 95 14.433 2.801 6.662 1.00 0.00 C ATOM 1461 CG MET A 95 15.339 3.710 7.495 1.00 0.00 C ATOM 1462 SD MET A 95 14.360 4.646 8.658 1.00 0.00 S ATOM 1463 CE MET A 95 12.967 5.065 7.624 1.00 0.00 C ATOM 0 H MET A 95 15.652 2.314 4.418 1.00 0.00 H new ATOM 0 HA MET A 95 15.744 1.149 7.131 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.120 3.323 5.758 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.529 2.568 7.225 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.078 3.111 8.028 1.00 0.00 H new ATOM 0 HG3 MET A 95 15.889 4.387 6.841 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.462 5.941 8.031 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.316 5.283 6.615 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.271 4.227 7.594 1.00 0.00 H new ATOM 1473 N VAL A 96 13.874 0.304 4.634 1.00 0.00 N ATOM 1474 CA VAL A 96 12.917 -0.676 4.149 1.00 0.00 C ATOM 1475 C VAL A 96 13.436 -2.083 4.451 1.00 0.00 C ATOM 1476 O VAL A 96 14.554 -2.430 4.073 1.00 0.00 O ATOM 1477 CB VAL A 96 12.641 -0.447 2.662 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.850 -0.844 1.813 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.386 -1.199 2.214 1.00 0.00 C ATOM 0 H VAL A 96 14.318 0.863 3.906 1.00 0.00 H new ATOM 0 HA VAL A 96 11.963 -0.564 4.664 1.00 0.00 H new ATOM 0 HB VAL A 96 12.463 0.618 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.628 -0.671 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.712 -0.244 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.073 -1.900 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.213 -1.019 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.522 -2.267 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.527 -0.848 2.786 1.00 0.00 H new ATOM 1489 N GLU A 97 12.600 -2.855 5.130 1.00 0.00 N ATOM 1490 CA GLU A 97 12.961 -4.216 5.487 1.00 0.00 C ATOM 1491 C GLU A 97 12.549 -5.183 4.375 1.00 0.00 C ATOM 1492 O GLU A 97 13.387 -5.898 3.828 1.00 0.00 O ATOM 1493 CB GLU A 97 12.332 -4.617 6.823 1.00 0.00 C ATOM 1494 CG GLU A 97 12.682 -6.063 7.181 1.00 0.00 C ATOM 1495 CD GLU A 97 11.528 -6.738 7.925 1.00 0.00 C ATOM 1496 OE1 GLU A 97 10.384 -6.603 7.440 1.00 0.00 O ATOM 1497 OE2 GLU A 97 11.816 -7.374 8.962 1.00 0.00 O ATOM 0 H GLU A 97 11.674 -2.564 5.442 1.00 0.00 H new ATOM 0 HA GLU A 97 14.044 -4.266 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.683 -3.949 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.249 -4.504 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.910 -6.621 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.579 -6.081 7.800 1.00 0.00 H new ATOM 1504 N GLY A 98 11.259 -5.174 4.074 1.00 0.00 N ATOM 1505 CA GLY A 98 10.726 -6.042 3.038 1.00 0.00 C ATOM 1506 C GLY A 98 9.891 -5.246 2.032 1.00 0.00 C ATOM 1507 O GLY A 98 9.301 -4.224 2.381 1.00 0.00 O ATOM 0 H GLY A 98 10.567 -4.579 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.545 -6.543 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.112 -6.820 3.491 1.00 0.00 H new ATOM 1511 N ILE A 99 9.867 -5.744 0.805 1.00 0.00 N ATOM 1512 CA ILE A 99 9.114 -5.092 -0.253 1.00 0.00 C ATOM 1513 C ILE A 99 8.195 -6.115 -0.923 1.00 0.00 C ATOM 1514 O ILE A 99 8.447 -7.318 -0.858 1.00 0.00 O ATOM 1515 CB ILE A 99 10.060 -4.385 -1.226 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.372 -5.157 -1.375 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.294 -2.933 -0.804 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.229 -4.571 -2.499 1.00 0.00 C ATOM 0 H ILE A 99 10.357 -6.592 0.519 1.00 0.00 H new ATOM 0 HA ILE A 99 8.475 -4.311 0.159 1.00 0.00 H new ATOM 0 HB ILE A 99 9.587 -4.364 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.925 -5.125 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.159 -6.205 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.970 -2.453 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.343 -2.400 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.736 -2.910 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.156 -5.138 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.682 -4.627 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.460 -3.530 -2.275 1.00 0.00 H new ATOM 1530 N TYR A 100 7.149 -5.601 -1.553 1.00 0.00 N ATOM 1531 CA TYR A 100 6.191 -6.454 -2.234 1.00 0.00 C ATOM 1532 C TYR A 100 5.571 -5.734 -3.433 1.00 0.00 C ATOM 1533 O TYR A 100 5.581 -4.506 -3.498 1.00 0.00 O ATOM 1534 CB TYR A 100 5.093 -6.756 -1.212 1.00 0.00 C ATOM 1535 CG TYR A 100 5.620 -7.142 0.171 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.211 -6.188 0.975 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.505 -8.443 0.616 1.00 0.00 C ATOM 1538 CE1 TYR A 100 6.707 -6.551 2.277 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.001 -8.806 1.918 1.00 0.00 C ATOM 1540 CZ TYR A 100 6.577 -7.842 2.685 1.00 0.00 C ATOM 1541 OH TYR A 100 7.046 -8.185 3.915 1.00 0.00 O ATOM 0 H TYR A 100 6.944 -4.603 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 100 6.677 -7.357 -2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.451 -5.880 -1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.470 -7.566 -1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.301 -5.169 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.043 -9.190 -0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.172 -5.815 2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.917 -9.821 2.277 1.00 0.00 H new ATOM 0 HH TYR A 100 6.884 -9.139 4.073 1.00 0.00 H new ATOM 1551 N LYS A 101 5.046 -6.530 -4.354 1.00 0.00 N ATOM 1552 CA LYS A 101 4.422 -5.983 -5.547 1.00 0.00 C ATOM 1553 C LYS A 101 2.932 -6.330 -5.543 1.00 0.00 C ATOM 1554 O LYS A 101 2.441 -6.965 -4.611 1.00 0.00 O ATOM 1555 CB LYS A 101 5.160 -6.456 -6.801 1.00 0.00 C ATOM 1556 CG LYS A 101 4.764 -7.889 -7.164 1.00 0.00 C ATOM 1557 CD LYS A 101 5.959 -8.836 -7.044 1.00 0.00 C ATOM 1558 CE LYS A 101 7.025 -8.508 -8.092 1.00 0.00 C ATOM 1559 NZ LYS A 101 8.241 -9.321 -7.866 1.00 0.00 N ATOM 0 H LYS A 101 5.040 -7.548 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 101 4.496 -4.896 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.933 -5.790 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.236 -6.403 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.962 -8.226 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.375 -7.916 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.390 -8.759 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.625 -9.866 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.633 -8.700 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.275 -7.448 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.954 -9.086 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.623 -9.118 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.001 -10.331 -7.933 1.00 0.00 H new ATOM 1573 N TYR A 102 2.254 -5.899 -6.596 1.00 0.00 N ATOM 1574 CA TYR A 102 0.830 -6.156 -6.726 1.00 0.00 C ATOM 1575 C TYR A 102 0.534 -6.987 -7.976 1.00 0.00 C ATOM 1576 O TYR A 102 0.779 -6.539 -9.096 1.00 0.00 O ATOM 1577 CB TYR A 102 0.165 -4.785 -6.870 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.346 -4.847 -7.101 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.841 -5.227 -8.332 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.214 -4.524 -6.078 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.263 -5.285 -8.549 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.636 -4.582 -6.294 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.091 -4.960 -7.519 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.434 -5.016 -7.724 1.00 0.00 O ATOM 0 H TYR A 102 2.665 -5.373 -7.368 1.00 0.00 H new ATOM 0 HA TYR A 102 0.461 -6.711 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.361 -4.201 -5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.628 -4.254 -7.702 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.162 -5.481 -9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.826 -4.227 -5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.664 -5.580 -9.508 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.326 -4.331 -5.502 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.635 -5.705 -8.391 1.00 0.00 H new ATOM 1594 N ASN A 103 0.011 -8.182 -7.744 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.320 -9.079 -8.837 1.00 0.00 C ATOM 1596 C ASN A 103 -1.567 -8.560 -9.557 1.00 0.00 C ATOM 1597 O ASN A 103 -2.685 -8.739 -9.076 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.624 -10.487 -8.321 1.00 0.00 C ATOM 1599 CG ASN A 103 0.449 -11.480 -8.774 1.00 0.00 C ATOM 1600 OD1 ASN A 103 0.402 -12.032 -9.861 1.00 0.00 O ATOM 1601 ND2 ASN A 103 1.416 -11.675 -7.882 1.00 0.00 N ATOM 0 H ASN A 103 -0.192 -8.550 -6.814 1.00 0.00 H new ATOM 0 HA ASN A 103 0.535 -9.119 -9.512 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.678 -10.476 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.600 -10.809 -8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.179 -12.319 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.395 -11.180 -6.990 1.00 0.00 H new ATOM 1608 N SER A 104 -1.333 -7.928 -10.697 1.00 0.00 N ATOM 1609 CA SER A 104 -2.423 -7.382 -11.487 1.00 0.00 C ATOM 1610 C SER A 104 -3.002 -8.465 -12.399 1.00 0.00 C ATOM 1611 O SER A 104 -3.824 -8.177 -13.268 1.00 0.00 O ATOM 1612 CB SER A 104 -1.956 -6.184 -12.317 1.00 0.00 C ATOM 1613 OG SER A 104 -2.468 -4.953 -11.813 1.00 0.00 O ATOM 0 H SER A 104 -0.404 -7.782 -11.093 1.00 0.00 H new ATOM 0 HA SER A 104 -3.200 -7.037 -10.805 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.867 -6.149 -12.322 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.275 -6.313 -13.351 1.00 0.00 H new ATOM 0 HG SER A 104 -2.479 -4.980 -10.833 1.00 0.00 H new ATOM 1619 N ASP A 105 -2.551 -9.690 -12.170 1.00 0.00 N ATOM 1620 CA ASP A 105 -3.014 -10.818 -12.960 1.00 0.00 C ATOM 1621 C ASP A 105 -3.705 -11.828 -12.042 1.00 0.00 C ATOM 1622 O ASP A 105 -4.739 -12.390 -12.400 1.00 0.00 O ATOM 1623 CB ASP A 105 -1.844 -11.526 -13.647 1.00 0.00 C ATOM 1624 CG ASP A 105 -1.948 -11.616 -15.171 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -2.994 -11.179 -15.695 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -0.978 -12.121 -15.777 1.00 0.00 O ATOM 0 H ASP A 105 -1.870 -9.926 -11.448 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.702 -10.441 -13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.922 -11.004 -13.391 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -1.762 -12.535 -13.243 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.106 -12.028 -10.877 1.00 0.00 N ATOM 1632 CA ARG A 106 -3.652 -12.960 -9.906 1.00 0.00 C ATOM 1633 C ARG A 106 -4.503 -12.215 -8.875 1.00 0.00 C ATOM 1634 O ARG A 106 -5.239 -12.835 -8.108 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.536 -13.719 -9.184 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.040 -14.896 -10.025 1.00 0.00 C ATOM 1637 CD ARG A 106 -1.796 -16.129 -9.153 1.00 0.00 C ATOM 1638 NE ARG A 106 -0.862 -17.054 -9.834 1.00 0.00 N ATOM 1639 CZ ARG A 106 -1.205 -17.848 -10.857 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -2.461 -17.835 -11.324 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -0.292 -18.656 -11.414 1.00 0.00 N ATOM 0 H ARG A 106 -2.248 -11.560 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.273 -13.675 -10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.707 -13.042 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.901 -14.082 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.774 -15.131 -10.796 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.118 -14.619 -10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.385 -15.828 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.740 -16.635 -8.952 1.00 0.00 H new ATOM 0 HE ARG A 106 0.102 -17.089 -9.504 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.156 -17.220 -10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.722 -18.440 -12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.664 -18.666 -11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.553 -19.260 -12.193 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.373 -10.897 -8.889 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.121 -10.061 -7.965 1.00 0.00 C ATOM 1657 C LYS A 107 -4.694 -10.385 -6.532 1.00 0.00 C ATOM 1658 O LYS A 107 -5.528 -10.434 -5.629 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.625 -10.208 -8.207 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.031 -9.568 -9.536 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.552 -9.565 -9.701 1.00 0.00 C ATOM 1662 CE LYS A 107 -9.019 -10.786 -10.496 1.00 0.00 C ATOM 1663 NZ LYS A 107 -10.386 -11.179 -10.086 1.00 0.00 N ATOM 0 H LYS A 107 -3.761 -10.387 -9.526 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.896 -9.008 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.895 -11.264 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.176 -9.741 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.655 -8.546 -9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.573 -10.113 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.028 -9.561 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.864 -8.653 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.003 -10.561 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.332 -11.617 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.688 -12.009 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.391 -11.414 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.041 -10.391 -10.262 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.397 -10.598 -6.369 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.850 -10.916 -5.061 1.00 0.00 C ATOM 1679 C ARG A 108 -1.587 -10.092 -4.799 1.00 0.00 C ATOM 1680 O ARG A 108 -1.272 -9.175 -5.556 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.511 -12.404 -4.952 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.722 -13.269 -5.305 1.00 0.00 C ATOM 1683 CD ARG A 108 -4.550 -13.587 -4.058 1.00 0.00 C ATOM 1684 NE ARG A 108 -4.078 -14.848 -3.444 1.00 0.00 N ATOM 1685 CZ ARG A 108 -4.300 -15.192 -2.168 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -4.987 -14.371 -1.363 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -3.834 -16.357 -1.698 1.00 0.00 N ATOM 0 H ARG A 108 -2.709 -10.557 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.608 -10.672 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.683 -12.642 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -2.180 -12.632 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.343 -12.751 -6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.388 -14.196 -5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.469 -12.771 -3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.604 -13.674 -4.324 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.550 -15.496 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.341 -13.484 -1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.156 -14.633 -0.392 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.310 -16.982 -2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.003 -16.619 -0.727 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.899 -10.448 -3.724 1.00 0.00 N ATOM 1702 CA PHE A 109 0.322 -9.753 -3.353 1.00 0.00 C ATOM 1703 C PHE A 109 1.531 -10.686 -3.436 1.00 0.00 C ATOM 1704 O PHE A 109 1.427 -11.872 -3.126 1.00 0.00 O ATOM 1705 CB PHE A 109 0.150 -9.287 -1.906 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.020 -7.774 -1.755 1.00 0.00 C ATOM 1707 CD1 PHE A 109 -0.590 -7.050 -2.755 1.00 0.00 C ATOM 1708 CD2 PHE A 109 0.400 -7.153 -0.620 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.747 -5.646 -2.615 1.00 0.00 C ATOM 1710 CE2 PHE A 109 0.242 -5.749 -0.480 1.00 0.00 C ATOM 1711 CZ PHE A 109 -0.328 -5.025 -1.480 1.00 0.00 C ATOM 0 H PHE A 109 -1.164 -11.209 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 109 0.495 -8.917 -4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.719 -9.785 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.018 -9.604 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.923 -7.543 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.853 -7.728 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.199 -5.071 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.575 -5.256 0.421 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.448 -3.957 -1.373 1.00 0.00 H new ATOM 1721 N THR A 110 2.651 -10.116 -3.855 1.00 0.00 N ATOM 1722 CA THR A 110 3.879 -10.883 -3.982 1.00 0.00 C ATOM 1723 C THR A 110 5.056 -10.107 -3.387 1.00 0.00 C ATOM 1724 O THR A 110 4.992 -8.887 -3.246 1.00 0.00 O ATOM 1725 CB THR A 110 4.067 -11.232 -5.460 1.00 0.00 C ATOM 1726 OG1 THR A 110 2.993 -12.124 -5.745 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.323 -12.071 -5.708 1.00 0.00 C ATOM 0 H THR A 110 2.734 -9.132 -4.111 1.00 0.00 H new ATOM 0 HA THR A 110 3.825 -11.814 -3.417 1.00 0.00 H new ATOM 0 HB THR A 110 4.121 -10.314 -6.046 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.265 -12.749 -6.450 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.409 -12.291 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.202 -11.516 -5.380 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.253 -13.004 -5.149 1.00 0.00 H new ATOM 1735 N GLN A 111 6.103 -10.848 -3.053 1.00 0.00 N ATOM 1736 CA GLN A 111 7.292 -10.245 -2.476 1.00 0.00 C ATOM 1737 C GLN A 111 8.335 -9.982 -3.564 1.00 0.00 C ATOM 1738 O GLN A 111 8.272 -10.567 -4.644 1.00 0.00 O ATOM 1739 CB GLN A 111 7.869 -11.125 -1.365 1.00 0.00 C ATOM 1740 CG GLN A 111 8.404 -10.272 -0.212 1.00 0.00 C ATOM 1741 CD GLN A 111 9.284 -11.105 0.722 1.00 0.00 C ATOM 1742 OE1 GLN A 111 8.946 -12.209 1.117 1.00 0.00 O ATOM 1743 NE2 GLN A 111 10.430 -10.515 1.054 1.00 0.00 N ATOM 0 H GLN A 111 6.152 -11.860 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 111 7.012 -9.291 -2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.099 -11.801 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.671 -11.745 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.979 -9.436 -0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 111 7.571 -9.848 0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.652 -9.589 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.087 -10.989 1.674 1.00 0.00 H new ATOM 1752 N ILE A 112 9.271 -9.101 -3.241 1.00 0.00 N ATOM 1753 CA ILE A 112 10.326 -8.753 -4.178 1.00 0.00 C ATOM 1754 C ILE A 112 11.612 -9.482 -3.784 1.00 0.00 C ATOM 1755 O ILE A 112 11.910 -9.626 -2.599 1.00 0.00 O ATOM 1756 CB ILE A 112 10.483 -7.234 -4.268 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.154 -6.528 -3.993 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.082 -6.824 -5.615 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.184 -6.710 -5.162 1.00 0.00 C ATOM 0 H ILE A 112 9.321 -8.618 -2.344 1.00 0.00 H new ATOM 0 HA ILE A 112 10.067 -9.083 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 112 11.182 -6.916 -3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.709 -6.926 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.331 -5.466 -3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.183 -5.739 -5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.063 -7.284 -5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.427 -7.156 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.247 -6.198 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.622 -6.289 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.991 -7.772 -5.312 1.00 0.00 H new ATOM 1771 N PRO A 113 12.359 -9.935 -4.826 1.00 0.00 N ATOM 1772 CA PRO A 113 13.606 -10.645 -4.601 1.00 0.00 C ATOM 1773 C PRO A 113 14.717 -9.682 -4.178 1.00 0.00 C ATOM 1774 O PRO A 113 15.822 -10.110 -3.847 1.00 0.00 O ATOM 1775 CB PRO A 113 13.900 -11.351 -5.915 1.00 0.00 C ATOM 1776 CG PRO A 113 13.061 -10.641 -6.965 1.00 0.00 C ATOM 1777 CD PRO A 113 12.037 -9.782 -6.242 1.00 0.00 C ATOM 0 HA PRO A 113 13.539 -11.364 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.961 -11.296 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.641 -12.408 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.692 -10.025 -7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.564 -11.365 -7.610 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.104 -8.739 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.021 -10.113 -6.455 1.00 0.00 H new ATOM 1785 N ALA A 114 14.386 -8.399 -4.204 1.00 0.00 N ATOM 1786 CA ALA A 114 15.342 -7.372 -3.828 1.00 0.00 C ATOM 1787 C ALA A 114 14.853 -6.665 -2.562 1.00 0.00 C ATOM 1788 O ALA A 114 13.673 -6.737 -2.223 1.00 0.00 O ATOM 1789 CB ALA A 114 15.539 -6.404 -4.996 1.00 0.00 C ATOM 0 H ALA A 114 13.469 -8.048 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 114 16.312 -7.815 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.256 -5.634 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.915 -6.950 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.586 -5.938 -5.247 1.00 0.00 H new ATOM 1795 N LYS A 115 15.785 -5.998 -1.897 1.00 0.00 N ATOM 1796 CA LYS A 115 15.463 -5.279 -0.676 1.00 0.00 C ATOM 1797 C LYS A 115 15.406 -3.779 -0.972 1.00 0.00 C ATOM 1798 O LYS A 115 15.245 -2.969 -0.062 1.00 0.00 O ATOM 1799 CB LYS A 115 16.445 -5.649 0.438 1.00 0.00 C ATOM 1800 CG LYS A 115 15.725 -6.341 1.597 1.00 0.00 C ATOM 1801 CD LYS A 115 16.597 -7.440 2.206 1.00 0.00 C ATOM 1802 CE LYS A 115 15.738 -8.506 2.890 1.00 0.00 C ATOM 1803 NZ LYS A 115 16.319 -9.851 2.683 1.00 0.00 N ATOM 0 H LYS A 115 16.763 -5.940 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 115 14.478 -5.570 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.219 -6.306 0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.945 -4.751 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.471 -5.607 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.787 -6.770 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.203 -7.902 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.286 -7.004 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.667 -8.294 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.724 -8.476 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.724 -10.562 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.365 -10.057 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.278 -9.881 3.085 1.00 0.00 H new ATOM 1817 N THR A 116 15.542 -3.456 -2.250 1.00 0.00 N ATOM 1818 CA THR A 116 15.508 -2.067 -2.678 1.00 0.00 C ATOM 1819 C THR A 116 14.204 -1.770 -3.421 1.00 0.00 C ATOM 1820 O THR A 116 13.491 -2.689 -3.823 1.00 0.00 O ATOM 1821 CB THR A 116 16.759 -1.800 -3.516 1.00 0.00 C ATOM 1822 OG1 THR A 116 17.835 -2.194 -2.669 1.00 0.00 O ATOM 1823 CG2 THR A 116 16.998 -0.307 -3.752 1.00 0.00 C ATOM 0 H THR A 116 15.676 -4.131 -3.003 1.00 0.00 H new ATOM 0 HA THR A 116 15.521 -1.389 -1.824 1.00 0.00 H new ATOM 0 HB THR A 116 16.668 -2.309 -4.475 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.686 -2.056 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 116 17.898 -0.173 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.144 0.119 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.122 0.198 -2.794 1.00 0.00 H new ATOM 1831 N MET A 117 13.931 -0.484 -3.582 1.00 0.00 N ATOM 1832 CA MET A 117 12.725 -0.054 -4.269 1.00 0.00 C ATOM 1833 C MET A 117 12.761 -0.461 -5.744 1.00 0.00 C ATOM 1834 O MET A 117 13.782 -0.941 -6.235 1.00 0.00 O ATOM 1835 CB MET A 117 12.590 1.466 -4.162 1.00 0.00 C ATOM 1836 CG MET A 117 11.479 1.850 -3.182 1.00 0.00 C ATOM 1837 SD MET A 117 11.950 1.400 -1.520 1.00 0.00 S ATOM 1838 CE MET A 117 10.474 0.540 -1.002 1.00 0.00 C ATOM 0 H MET A 117 14.525 0.275 -3.248 1.00 0.00 H new ATOM 0 HA MET A 117 11.869 -0.537 -3.798 1.00 0.00 H new ATOM 0 HB2 MET A 117 13.536 1.896 -3.832 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.374 1.886 -5.145 1.00 0.00 H new ATOM 0 HG2 MET A 117 11.288 2.922 -3.237 1.00 0.00 H new ATOM 0 HG3 MET A 117 10.552 1.347 -3.455 1.00 0.00 H new ATOM 0 HE1 MET A 117 10.217 0.838 0.014 1.00 0.00 H new ATOM 0 HE2 MET A 117 9.652 0.791 -1.673 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.650 -0.535 -1.031 1.00 0.00 H new ATOM 1848 N SER A 118 11.634 -0.253 -6.409 1.00 0.00 N ATOM 1849 CA SER A 118 11.524 -0.592 -7.818 1.00 0.00 C ATOM 1850 C SER A 118 10.060 -0.523 -8.259 1.00 0.00 C ATOM 1851 O SER A 118 9.157 -0.804 -7.473 1.00 0.00 O ATOM 1852 CB SER A 118 12.097 -1.983 -8.097 1.00 0.00 C ATOM 1853 OG SER A 118 13.469 -1.927 -8.481 1.00 0.00 O ATOM 0 H SER A 118 10.790 0.146 -5.999 1.00 0.00 H new ATOM 0 HA SER A 118 12.105 0.131 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.995 -2.603 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.518 -2.462 -8.887 1.00 0.00 H new ATOM 0 HG SER A 118 13.990 -1.495 -7.772 1.00 0.00 H new ATOM 1859 N MET A 119 9.872 -0.149 -9.516 1.00 0.00 N ATOM 1860 CA MET A 119 8.533 -0.040 -10.072 1.00 0.00 C ATOM 1861 C MET A 119 7.732 -1.320 -9.825 1.00 0.00 C ATOM 1862 O MET A 119 6.503 -1.307 -9.882 1.00 0.00 O ATOM 1863 CB MET A 119 8.625 0.224 -11.576 1.00 0.00 C ATOM 1864 CG MET A 119 7.316 0.811 -12.110 1.00 0.00 C ATOM 1865 SD MET A 119 7.512 2.558 -12.419 1.00 0.00 S ATOM 1866 CE MET A 119 7.484 3.174 -10.744 1.00 0.00 C ATOM 0 H MET A 119 10.624 0.082 -10.165 1.00 0.00 H new ATOM 0 HA MET A 119 8.021 0.787 -9.580 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.446 0.912 -11.779 1.00 0.00 H new ATOM 0 HB3 MET A 119 8.851 -0.705 -12.099 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.027 0.301 -13.029 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.514 0.648 -11.390 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.257 4.240 -10.752 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.720 2.645 -10.174 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.458 3.014 -10.281 1.00 0.00 H new ATOM 1876 N SER A 120 8.460 -2.394 -9.557 1.00 0.00 N ATOM 1877 CA SER A 120 7.832 -3.679 -9.302 1.00 0.00 C ATOM 1878 C SER A 120 7.524 -3.824 -7.811 1.00 0.00 C ATOM 1879 O SER A 120 7.700 -4.899 -7.239 1.00 0.00 O ATOM 1880 CB SER A 120 8.722 -4.830 -9.775 1.00 0.00 C ATOM 1881 OG SER A 120 8.453 -5.193 -11.127 1.00 0.00 O ATOM 0 H SER A 120 9.479 -2.401 -9.511 1.00 0.00 H new ATOM 0 HA SER A 120 6.899 -3.722 -9.865 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.769 -4.542 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.569 -5.695 -9.130 1.00 0.00 H new ATOM 0 HG SER A 120 9.043 -5.930 -11.391 1.00 0.00 H new ATOM 1887 N VAL A 121 7.070 -2.727 -7.223 1.00 0.00 N ATOM 1888 CA VAL A 121 6.735 -2.719 -5.809 1.00 0.00 C ATOM 1889 C VAL A 121 5.388 -2.020 -5.612 1.00 0.00 C ATOM 1890 O VAL A 121 5.077 -1.056 -6.309 1.00 0.00 O ATOM 1891 CB VAL A 121 7.867 -2.072 -5.008 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.432 -1.799 -3.567 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.129 -2.936 -5.046 1.00 0.00 C ATOM 0 H VAL A 121 6.926 -1.837 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 121 6.630 -3.737 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 121 8.103 -1.115 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.255 -1.339 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.575 -1.126 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.156 -2.738 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.918 -2.453 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.913 -3.915 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.457 -3.056 -6.079 1.00 0.00 H new ATOM 1903 N ASP A 122 4.625 -2.535 -4.659 1.00 0.00 N ATOM 1904 CA ASP A 122 3.319 -1.972 -4.361 1.00 0.00 C ATOM 1905 C ASP A 122 3.056 -2.073 -2.857 1.00 0.00 C ATOM 1906 O ASP A 122 1.909 -2.001 -2.418 1.00 0.00 O ATOM 1907 CB ASP A 122 2.211 -2.738 -5.087 1.00 0.00 C ATOM 1908 CG ASP A 122 1.955 -2.293 -6.528 1.00 0.00 C ATOM 1909 OD1 ASP A 122 2.824 -2.587 -7.377 1.00 0.00 O ATOM 1910 OD2 ASP A 122 0.895 -1.668 -6.749 1.00 0.00 O ATOM 0 H ASP A 122 4.886 -3.336 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 122 3.316 -0.933 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.464 -3.798 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.286 -2.633 -4.520 1.00 0.00 H new ATOM 1915 N ALA A 123 4.137 -2.238 -2.110 1.00 0.00 N ATOM 1916 CA ALA A 123 4.038 -2.349 -0.664 1.00 0.00 C ATOM 1917 C ALA A 123 5.439 -2.516 -0.072 1.00 0.00 C ATOM 1918 O ALA A 123 6.326 -3.075 -0.715 1.00 0.00 O ATOM 1919 CB ALA A 123 3.110 -3.512 -0.304 1.00 0.00 C ATOM 0 H ALA A 123 5.086 -2.298 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 123 3.607 -1.443 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.035 -3.596 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.120 -3.331 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.513 -4.439 -0.713 1.00 0.00 H new ATOM 1925 N PHE A 124 5.594 -2.020 1.147 1.00 0.00 N ATOM 1926 CA PHE A 124 6.872 -2.107 1.833 1.00 0.00 C ATOM 1927 C PHE A 124 6.690 -1.987 3.347 1.00 0.00 C ATOM 1928 O PHE A 124 5.685 -1.455 3.815 1.00 0.00 O ATOM 1929 CB PHE A 124 7.725 -0.938 1.338 1.00 0.00 C ATOM 1930 CG PHE A 124 7.297 0.423 1.892 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.103 0.961 1.524 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.109 1.094 2.751 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.705 2.224 2.038 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.712 2.357 3.264 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.518 2.895 2.897 1.00 0.00 C ATOM 0 H PHE A 124 4.856 -1.557 1.677 1.00 0.00 H new ATOM 0 HA PHE A 124 7.342 -3.069 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.765 -1.119 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.682 -0.906 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.458 0.428 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.057 0.666 3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.757 2.651 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.358 2.890 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.216 3.855 3.288 1.00 0.00 H new ATOM 1945 N THR A 125 7.680 -2.489 4.071 1.00 0.00 N ATOM 1946 CA THR A 125 7.642 -2.444 5.523 1.00 0.00 C ATOM 1947 C THR A 125 9.000 -2.012 6.079 1.00 0.00 C ATOM 1948 O THR A 125 9.969 -2.768 6.018 1.00 0.00 O ATOM 1949 CB THR A 125 7.188 -3.816 6.027 1.00 0.00 C ATOM 1950 OG1 THR A 125 7.983 -4.738 5.287 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.752 -4.146 5.613 1.00 0.00 C ATOM 0 H THR A 125 8.513 -2.929 3.679 1.00 0.00 H new ATOM 0 HA THR A 125 6.929 -1.699 5.877 1.00 0.00 H new ATOM 0 HB THR A 125 7.269 -3.849 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.925 -4.475 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.480 -5.130 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.074 -3.397 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.678 -4.147 4.526 1.00 0.00 H new ATOM 1959 N ILE A 126 9.028 -0.798 6.608 1.00 0.00 N ATOM 1960 CA ILE A 126 10.252 -0.256 7.174 1.00 0.00 C ATOM 1961 C ILE A 126 10.731 -1.165 8.307 1.00 0.00 C ATOM 1962 O ILE A 126 9.993 -2.038 8.761 1.00 0.00 O ATOM 1963 CB ILE A 126 10.047 1.200 7.598 1.00 0.00 C ATOM 1964 CG1 ILE A 126 8.949 1.313 8.657 1.00 0.00 C ATOM 1965 CG2 ILE A 126 9.768 2.090 6.385 1.00 0.00 C ATOM 1966 CD1 ILE A 126 8.898 2.725 9.244 1.00 0.00 C ATOM 0 H ILE A 126 8.223 -0.174 6.657 1.00 0.00 H new ATOM 0 HA ILE A 126 11.043 -0.237 6.424 1.00 0.00 H new ATOM 0 HB ILE A 126 10.971 1.557 8.053 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.985 1.064 8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.130 0.591 9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.626 3.119 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.612 2.042 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.867 1.743 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.109 2.779 9.994 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.856 2.961 9.707 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.692 3.442 8.449 1.00 0.00 H new ATOM 1978 N GLN A 127 11.963 -0.929 8.732 1.00 0.00 N ATOM 1979 CA GLN A 127 12.549 -1.715 9.804 1.00 0.00 C ATOM 1980 C GLN A 127 11.648 -1.682 11.041 1.00 0.00 C ATOM 1981 O GLN A 127 10.618 -1.010 11.044 1.00 0.00 O ATOM 1982 CB GLN A 127 13.958 -1.223 10.139 1.00 0.00 C ATOM 1983 CG GLN A 127 15.004 -1.915 9.263 1.00 0.00 C ATOM 1984 CD GLN A 127 15.804 -2.939 10.070 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.363 -3.449 11.087 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.003 -3.211 9.562 1.00 0.00 N ATOM 0 H GLN A 127 12.572 -0.204 8.353 1.00 0.00 H new ATOM 0 HA GLN A 127 12.632 -2.748 9.466 1.00 0.00 H new ATOM 0 HB2 GLN A 127 14.014 -0.144 9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.174 -1.416 11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.512 -2.410 8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.680 -1.171 8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.311 -2.749 8.707 1.00 0.00 H new ATOM 0 HE22 GLN A 127 17.614 -3.882 10.028 1.00 0.00 H new ATOM 1995 N GLY A 128 12.070 -2.415 12.060 1.00 0.00 N ATOM 1996 CA GLY A 128 11.314 -2.478 13.300 1.00 0.00 C ATOM 1997 C GLY A 128 11.896 -1.524 14.346 1.00 0.00 C ATOM 1998 O GLY A 128 11.176 -1.040 15.218 1.00 0.00 O ATOM 0 H GLY A 128 12.925 -2.970 12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.272 -2.221 13.108 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.326 -3.497 13.686 1.00 0.00 H new ATOM 2002 N HIS A 129 13.193 -1.284 14.224 1.00 0.00 N ATOM 2003 CA HIS A 129 13.880 -0.397 15.148 1.00 0.00 C ATOM 2004 C HIS A 129 13.360 1.031 14.970 1.00 0.00 C ATOM 2005 O HIS A 129 13.507 1.864 15.863 1.00 0.00 O ATOM 2006 CB HIS A 129 15.396 -0.502 14.976 1.00 0.00 C ATOM 2007 CG HIS A 129 15.894 -0.049 13.624 1.00 0.00 C ATOM 2008 ND1 HIS A 129 16.192 -0.931 12.600 1.00 0.00 N ATOM 2009 CD2 HIS A 129 16.141 1.201 13.139 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.600 -0.233 11.551 1.00 0.00 C ATOM 2011 NE2 HIS A 129 16.569 1.089 11.887 1.00 0.00 N ATOM 0 H HIS A 129 13.787 -1.688 13.500 1.00 0.00 H new ATOM 0 HA HIS A 129 13.668 -0.699 16.174 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.881 0.094 15.749 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.699 -1.537 15.135 1.00 0.00 H new ATOM 0 HD1 HIS A 129 16.111 -1.947 12.645 1.00 0.00 H new ATOM 0 HD2 HIS A 129 16.011 2.126 13.681 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.904 -0.639 10.597 1.00 0.00 H new ATOM 2019 N LEU A 130 12.763 1.269 13.812 1.00 0.00 N ATOM 2020 CA LEU A 130 12.221 2.582 13.506 1.00 0.00 C ATOM 2021 C LEU A 130 11.159 2.946 14.546 1.00 0.00 C ATOM 2022 O LEU A 130 11.346 3.876 15.329 1.00 0.00 O ATOM 2023 CB LEU A 130 11.711 2.629 12.064 1.00 0.00 C ATOM 2024 CG LEU A 130 12.708 3.125 11.015 1.00 0.00 C ATOM 2025 CD1 LEU A 130 14.147 2.965 11.508 1.00 0.00 C ATOM 2026 CD2 LEU A 130 12.481 2.431 9.671 1.00 0.00 C ATOM 0 H LEU A 130 12.643 0.575 13.074 1.00 0.00 H new ATOM 0 HA LEU A 130 13.002 3.340 13.568 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.386 1.628 11.782 1.00 0.00 H new ATOM 0 HB3 LEU A 130 10.831 3.271 12.032 1.00 0.00 H new ATOM 0 HG LEU A 130 12.538 4.190 10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.836 3.325 10.744 1.00 0.00 H new ATOM 0 HD12 LEU A 130 14.285 3.543 12.422 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.347 1.913 11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 130 13.203 2.802 8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 130 12.607 1.355 9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 130 11.471 2.641 9.319 1.00 0.00 H new ATOM 2038 N TRP A 131 10.069 2.194 14.520 1.00 0.00 N ATOM 2039 CA TRP A 131 8.978 2.425 15.451 1.00 0.00 C ATOM 2040 C TRP A 131 9.567 2.499 16.861 1.00 0.00 C ATOM 2041 O TRP A 131 9.648 3.576 17.448 1.00 0.00 O ATOM 2042 CB TRP A 131 7.899 1.350 15.309 1.00 0.00 C ATOM 2043 CG TRP A 131 7.490 1.065 13.862 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.855 0.033 13.090 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.618 1.870 13.041 1.00 0.00 C ATOM 2046 NE1 TRP A 131 7.284 0.113 11.836 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.508 1.265 11.806 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.944 3.069 13.333 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.732 1.787 10.763 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 5.172 3.577 12.281 1.00 0.00 C ATOM 2051 CH2 TRP A 131 5.051 2.981 11.031 1.00 0.00 C ATOM 0 H TRP A 131 9.918 1.424 13.869 1.00 0.00 H new ATOM 0 HA TRP A 131 8.478 3.369 15.233 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.259 0.426 15.762 1.00 0.00 H new ATOM 0 HB3 TRP A 131 7.017 1.658 15.871 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.513 -0.762 13.409 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.409 -0.551 11.072 1.00 0.00 H new ATOM 0 HE3 TRP A 131 6.016 3.559 14.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.663 1.295 9.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.633 4.497 12.453 1.00 0.00 H new ATOM 0 HH2 TRP A 131 4.435 3.437 10.270 1.00 0.00 H new ATOM 2062 N GLN A 132 9.963 1.339 17.364 1.00 0.00 N ATOM 2063 CA GLN A 132 10.542 1.258 18.694 1.00 0.00 C ATOM 2064 C GLN A 132 11.933 1.895 18.707 1.00 0.00 C ATOM 2065 O GLN A 132 12.934 1.205 18.888 1.00 0.00 O ATOM 2066 CB GLN A 132 10.598 -0.191 19.180 1.00 0.00 C ATOM 2067 CG GLN A 132 11.187 -1.108 18.106 1.00 0.00 C ATOM 2068 CD GLN A 132 11.797 -2.364 18.731 1.00 0.00 C ATOM 2069 OE1 GLN A 132 11.220 -3.000 19.598 1.00 0.00 O ATOM 2070 NE2 GLN A 132 12.993 -2.685 18.244 1.00 0.00 N ATOM 0 H GLN A 132 9.894 0.447 16.874 1.00 0.00 H new ATOM 0 HA GLN A 132 9.903 1.813 19.381 1.00 0.00 H new ATOM 0 HB2 GLN A 132 11.202 -0.251 20.086 1.00 0.00 H new ATOM 0 HB3 GLN A 132 9.596 -0.529 19.442 1.00 0.00 H new ATOM 0 HG2 GLN A 132 10.408 -1.391 17.398 1.00 0.00 H new ATOM 0 HG3 GLN A 132 11.950 -0.571 17.543 1.00 0.00 H new ATOM 0 HE21 GLN A 132 13.420 -2.109 17.518 1.00 0.00 H new ATOM 0 HE22 GLN A 132 13.483 -3.507 18.596 1.00 0.00 H new ATOM 2079 N SER A 133 11.950 3.206 18.512 1.00 0.00 N ATOM 2080 CA SER A 133 13.202 3.944 18.499 1.00 0.00 C ATOM 2081 C SER A 133 13.911 3.795 19.846 1.00 0.00 C ATOM 2082 O SER A 133 13.271 3.526 20.862 1.00 0.00 O ATOM 2083 CB SER A 133 12.966 5.422 18.183 1.00 0.00 C ATOM 2084 OG SER A 133 13.665 5.836 17.012 1.00 0.00 O ATOM 0 H SER A 133 11.117 3.776 18.362 1.00 0.00 H new ATOM 0 HA SER A 133 13.836 3.530 17.715 1.00 0.00 H new ATOM 0 HB2 SER A 133 11.899 5.598 18.049 1.00 0.00 H new ATOM 0 HB3 SER A 133 13.286 6.029 19.030 1.00 0.00 H new ATOM 0 HG SER A 133 13.487 6.785 16.843 1.00 0.00 H new ATOM 2090 N LYS A 134 15.223 3.977 19.812 1.00 0.00 N ATOM 2091 CA LYS A 134 16.026 3.867 21.018 1.00 0.00 C ATOM 2092 C LYS A 134 17.363 4.578 20.802 1.00 0.00 C ATOM 2093 O LYS A 134 17.790 5.373 21.637 1.00 0.00 O ATOM 2094 CB LYS A 134 16.169 2.402 21.434 1.00 0.00 C ATOM 2095 CG LYS A 134 16.915 1.599 20.367 1.00 0.00 C ATOM 2096 CD LYS A 134 16.723 0.095 20.577 1.00 0.00 C ATOM 2097 CE LYS A 134 16.244 -0.581 19.291 1.00 0.00 C ATOM 2098 NZ LYS A 134 17.070 -1.773 18.995 1.00 0.00 N ATOM 0 H LYS A 134 15.750 4.200 18.968 1.00 0.00 H new ATOM 0 HA LYS A 134 15.531 4.365 21.852 1.00 0.00 H new ATOM 0 HB2 LYS A 134 16.704 2.340 22.381 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.182 1.969 21.597 1.00 0.00 H new ATOM 0 HG2 LYS A 134 16.555 1.880 19.377 1.00 0.00 H new ATOM 0 HG3 LYS A 134 17.977 1.842 20.401 1.00 0.00 H new ATOM 0 HD2 LYS A 134 17.662 -0.354 20.900 1.00 0.00 H new ATOM 0 HD3 LYS A 134 15.998 -0.075 21.373 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.198 -0.872 19.393 1.00 0.00 H new ATOM 0 HE3 LYS A 134 16.299 0.123 18.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 16.732 -2.221 18.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 18.063 -1.487 18.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 16.996 -2.450 19.781 1.00 0.00 H new ATOM 2112 N LYS A 135 17.988 4.266 19.676 1.00 0.00 N ATOM 2113 CA LYS A 135 19.268 4.865 19.339 1.00 0.00 C ATOM 2114 C LYS A 135 19.324 5.126 17.833 1.00 0.00 C ATOM 2115 O LYS A 135 19.214 4.198 17.034 1.00 0.00 O ATOM 2116 CB LYS A 135 20.418 3.997 19.856 1.00 0.00 C ATOM 2117 CG LYS A 135 21.666 4.842 20.120 1.00 0.00 C ATOM 2118 CD LYS A 135 21.862 5.078 21.619 1.00 0.00 C ATOM 2119 CE LYS A 135 23.231 4.574 22.079 1.00 0.00 C ATOM 2120 NZ LYS A 135 23.533 5.066 23.442 1.00 0.00 N ATOM 0 H LYS A 135 17.631 3.606 18.985 1.00 0.00 H new ATOM 0 HA LYS A 135 19.379 5.830 19.834 1.00 0.00 H new ATOM 0 HB2 LYS A 135 20.114 3.494 20.774 1.00 0.00 H new ATOM 0 HB3 LYS A 135 20.648 3.220 19.127 1.00 0.00 H new ATOM 0 HG2 LYS A 135 22.542 4.340 19.710 1.00 0.00 H new ATOM 0 HG3 LYS A 135 21.577 5.799 19.606 1.00 0.00 H new ATOM 0 HD2 LYS A 135 21.770 6.142 21.838 1.00 0.00 H new ATOM 0 HD3 LYS A 135 21.077 4.568 22.177 1.00 0.00 H new ATOM 0 HE2 LYS A 135 23.247 3.484 22.068 1.00 0.00 H new ATOM 0 HE3 LYS A 135 24.001 4.911 21.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 24.466 4.715 23.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 23.538 6.106 23.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 22.807 4.723 24.103 1.00 0.00 H new ATOM 2134 N SER A 136 19.494 6.395 17.491 1.00 0.00 N ATOM 2135 CA SER A 136 19.565 6.791 16.095 1.00 0.00 C ATOM 2136 C SER A 136 20.424 8.049 15.950 1.00 0.00 C ATOM 2137 O SER A 136 20.063 9.112 16.453 1.00 0.00 O ATOM 2138 CB SER A 136 18.169 7.032 15.518 1.00 0.00 C ATOM 2139 OG SER A 136 17.523 8.144 16.132 1.00 0.00 O ATOM 0 H SER A 136 19.585 7.162 18.157 1.00 0.00 H new ATOM 0 HA SER A 136 20.025 5.978 15.533 1.00 0.00 H new ATOM 0 HB2 SER A 136 18.245 7.204 14.444 1.00 0.00 H new ATOM 0 HB3 SER A 136 17.561 6.138 15.655 1.00 0.00 H new ATOM 0 HG SER A 136 18.195 8.802 16.407 1.00 0.00 H new ATOM 2145 N GLY A 137 21.543 7.887 15.261 1.00 0.00 N ATOM 2146 CA GLY A 137 22.456 8.997 15.044 1.00 0.00 C ATOM 2147 C GLY A 137 23.545 8.623 14.037 1.00 0.00 C ATOM 2148 O GLY A 137 24.676 8.328 14.421 1.00 0.00 O ATOM 0 H GLY A 137 21.839 7.004 14.845 1.00 0.00 H new ATOM 0 HA2 GLY A 137 21.902 9.863 14.681 1.00 0.00 H new ATOM 0 HA3 GLY A 137 22.914 9.286 15.990 1.00 0.00 H new ATOM 2152 N PRO A 138 23.156 8.647 12.734 1.00 0.00 N ATOM 2153 CA PRO A 138 24.086 8.314 11.669 1.00 0.00 C ATOM 2154 C PRO A 138 25.078 9.454 11.430 1.00 0.00 C ATOM 2155 O PRO A 138 24.675 10.597 11.218 1.00 0.00 O ATOM 2156 CB PRO A 138 23.212 8.023 10.460 1.00 0.00 C ATOM 2157 CG PRO A 138 21.862 8.652 10.761 1.00 0.00 C ATOM 2158 CD PRO A 138 21.825 8.991 12.243 1.00 0.00 C ATOM 0 HA PRO A 138 24.710 7.453 11.909 1.00 0.00 H new ATOM 0 HB2 PRO A 138 23.646 8.445 9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 138 23.115 6.950 10.297 1.00 0.00 H new ATOM 0 HG2 PRO A 138 21.717 9.550 10.160 1.00 0.00 H new ATOM 0 HG3 PRO A 138 21.055 7.964 10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 138 21.604 10.046 12.403 1.00 0.00 H new ATOM 0 HD3 PRO A 138 21.053 8.422 12.760 1.00 0.00 H new ATOM 2166 N SER A 139 26.355 9.104 11.472 1.00 0.00 N ATOM 2167 CA SER A 139 27.406 10.084 11.263 1.00 0.00 C ATOM 2168 C SER A 139 28.608 9.425 10.583 1.00 0.00 C ATOM 2169 O SER A 139 28.931 9.744 9.440 1.00 0.00 O ATOM 2170 CB SER A 139 27.831 10.727 12.585 1.00 0.00 C ATOM 2171 OG SER A 139 28.246 12.080 12.412 1.00 0.00 O ATOM 0 H SER A 139 26.685 8.155 11.648 1.00 0.00 H new ATOM 0 HA SER A 139 27.016 10.870 10.617 1.00 0.00 H new ATOM 0 HB2 SER A 139 27.000 10.690 13.290 1.00 0.00 H new ATOM 0 HB3 SER A 139 28.646 10.151 13.023 1.00 0.00 H new ATOM 0 HG SER A 139 28.508 12.455 13.279 1.00 0.00 H new ATOM 2177 N SER A 140 29.238 8.519 11.316 1.00 0.00 N ATOM 2178 CA SER A 140 30.397 7.812 10.797 1.00 0.00 C ATOM 2179 C SER A 140 29.954 6.535 10.080 1.00 0.00 C ATOM 2180 O SER A 140 29.265 5.699 10.662 1.00 0.00 O ATOM 2181 CB SER A 140 31.384 7.476 11.918 1.00 0.00 C ATOM 2182 OG SER A 140 31.861 8.646 12.577 1.00 0.00 O ATOM 0 H SER A 140 28.968 8.258 12.264 1.00 0.00 H new ATOM 0 HA SER A 140 30.904 8.463 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 140 30.900 6.823 12.644 1.00 0.00 H new ATOM 0 HB3 SER A 140 32.228 6.923 11.505 1.00 0.00 H new ATOM 0 HG SER A 140 32.487 8.390 13.286 1.00 0.00 H new ATOM 2188 N GLY A 141 30.369 6.425 8.826 1.00 0.00 N ATOM 2189 CA GLY A 141 30.023 5.265 8.023 1.00 0.00 C ATOM 2190 C GLY A 141 31.280 4.566 7.501 1.00 0.00 C ATOM 2191 O GLY A 141 31.269 3.359 7.260 1.00 0.00 O ATOM 0 H GLY A 141 30.941 7.120 8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 141 29.436 4.567 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 141 29.398 5.572 7.184 1.00 0.00 H new TER 2195 GLY A 141