USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 821 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 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 84 TYR OH : rot 30:sc= -1.14 USER MOD Set 2.1: A 31 ASN : amide:sc= -1.72! C(o=-0.41!,f=-3.8!) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.183 K(o=-0.41,f=-4.8!) USER MOD Set 2.3: A 53 HIS : no HE2:sc= 1.12 K(o=-0.41,f=-11!) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.196 (180deg=-0.876) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0773 (180deg=-0.0125) USER MOD Single : A 10 CYS SG : rot -14:sc= 1.21 USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 1.08 (180deg=0.965) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= 1.2 (180deg=1.01) USER MOD Single : A 22 CYS SG : rot -5:sc= -0.288 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -159:sc= 0.975 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -145:sc= 1.11 (180deg=0.81) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.08) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 65 LYS NZ :NH3+ 151:sc= 0.689 (180deg=-1.82!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0313) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= 2.37 (180deg=1.57) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 76:sc= 0.0843 USER MOD Single : A 80 ASN : amide:sc= -0.0113 X(o=-0.011,f=0.0011) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00843 USER MOD Single : A 85 MET CE :methyl 153:sc= -0.425 (180deg=-1.86!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 0.972 (180deg=0.564) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 33:sc= 0.0363 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.254 14.423 -13.317 1.00 0.00 N ATOM 2 CA MET A 1 -2.082 13.039 -12.818 1.00 0.00 C ATOM 3 C MET A 1 -1.687 13.058 -11.347 1.00 0.00 C ATOM 4 O MET A 1 -1.149 14.053 -10.862 1.00 0.00 O ATOM 5 CB MET A 1 -0.999 12.312 -13.624 1.00 0.00 C ATOM 6 CG MET A 1 0.393 12.914 -13.466 1.00 0.00 C ATOM 7 SD MET A 1 1.673 11.955 -14.290 1.00 0.00 S ATOM 8 CE MET A 1 1.568 10.406 -13.392 1.00 0.00 C ATOM 0 H1 MET A 1 -1.831 14.506 -14.264 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.268 14.650 -13.369 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.784 15.087 -12.669 1.00 0.00 H new ATOM 0 HA MET A 1 -3.029 12.512 -12.933 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.970 11.267 -13.316 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.273 12.326 -14.679 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.392 13.928 -13.867 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.631 12.991 -12.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.519 9.879 -13.463 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.342 10.607 -12.345 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.778 9.789 -13.821 1.00 0.00 H new ATOM 20 N PRO A 2 -1.960 11.968 -10.608 1.00 0.00 N ATOM 21 CA PRO A 2 -1.496 11.824 -9.227 1.00 0.00 C ATOM 22 C PRO A 2 0.025 11.718 -9.169 1.00 0.00 C ATOM 23 O PRO A 2 0.601 10.674 -9.494 1.00 0.00 O ATOM 24 CB PRO A 2 -2.150 10.520 -8.743 1.00 0.00 C ATOM 25 CG PRO A 2 -3.214 10.214 -9.743 1.00 0.00 C ATOM 26 CD PRO A 2 -2.751 10.808 -11.043 1.00 0.00 C ATOM 0 HA PRO A 2 -1.762 12.682 -8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.420 9.712 -8.686 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.572 10.639 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.362 9.138 -9.837 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.169 10.641 -9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.152 10.103 -11.619 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.589 11.104 -11.674 1.00 0.00 H new ATOM 34 N ALA A 3 0.669 12.797 -8.758 1.00 0.00 N ATOM 35 CA ALA A 3 2.122 12.880 -8.780 1.00 0.00 C ATOM 36 C ALA A 3 2.721 12.316 -7.498 1.00 0.00 C ATOM 37 O ALA A 3 3.360 13.041 -6.731 1.00 0.00 O ATOM 38 CB ALA A 3 2.560 14.321 -8.990 1.00 0.00 C ATOM 0 H ALA A 3 0.206 13.634 -8.403 1.00 0.00 H new ATOM 0 HA ALA A 3 2.489 12.278 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.649 14.372 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.167 14.686 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.179 14.939 -8.177 1.00 0.00 H new ATOM 44 N ILE A 4 2.517 11.013 -7.289 1.00 0.00 N ATOM 45 CA ILE A 4 2.933 10.335 -6.060 1.00 0.00 C ATOM 46 C ILE A 4 2.386 11.086 -4.849 1.00 0.00 C ATOM 47 O ILE A 4 3.067 11.911 -4.233 1.00 0.00 O ATOM 48 CB ILE A 4 4.478 10.165 -5.947 1.00 0.00 C ATOM 49 CG1 ILE A 4 5.031 9.269 -7.072 1.00 0.00 C ATOM 50 CG2 ILE A 4 4.860 9.573 -4.593 1.00 0.00 C ATOM 51 CD1 ILE A 4 5.103 9.931 -8.434 1.00 0.00 C ATOM 0 H ILE A 4 2.060 10.401 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 4 2.518 9.328 -6.091 1.00 0.00 H new ATOM 0 HB ILE A 4 4.919 11.157 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.030 8.934 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.407 8.379 -7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.943 9.463 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.520 10.236 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.390 8.596 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.504 9.225 -9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.104 10.240 -8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.753 10.804 -8.380 1.00 0.00 H new ATOM 63 N GLU A 5 1.132 10.812 -4.535 1.00 0.00 N ATOM 64 CA GLU A 5 0.428 11.556 -3.512 1.00 0.00 C ATOM 65 C GLU A 5 -0.037 10.621 -2.415 1.00 0.00 C ATOM 66 O GLU A 5 -0.395 9.469 -2.682 1.00 0.00 O ATOM 67 CB GLU A 5 -0.770 12.289 -4.124 1.00 0.00 C ATOM 68 CG GLU A 5 -0.379 13.367 -5.125 1.00 0.00 C ATOM 69 CD GLU A 5 -1.567 13.933 -5.879 1.00 0.00 C ATOM 70 OE1 GLU A 5 -2.518 14.417 -5.229 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.544 13.913 -7.128 1.00 0.00 O ATOM 0 H GLU A 5 0.581 10.076 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 5 1.107 12.292 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.416 11.563 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.355 12.743 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.130 14.175 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.333 12.952 -5.838 1.00 0.00 H new ATOM 78 N VAL A 6 -0.010 11.112 -1.188 1.00 0.00 N ATOM 79 CA VAL A 6 -0.492 10.348 -0.056 1.00 0.00 C ATOM 80 C VAL A 6 -1.956 9.973 -0.262 1.00 0.00 C ATOM 81 O VAL A 6 -2.800 10.827 -0.540 1.00 0.00 O ATOM 82 CB VAL A 6 -0.327 11.121 1.272 1.00 0.00 C ATOM 83 CG1 VAL A 6 1.139 11.195 1.668 1.00 0.00 C ATOM 84 CG2 VAL A 6 -0.906 12.525 1.158 1.00 0.00 C ATOM 0 H VAL A 6 0.342 12.040 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 6 0.111 9.442 0.010 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.875 10.581 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.235 11.743 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.533 10.187 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.701 11.709 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.778 13.049 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.387 13.069 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.968 12.462 0.918 1.00 0.00 H new ATOM 94 N GLY A 7 -2.244 8.691 -0.160 1.00 0.00 N ATOM 95 CA GLY A 7 -3.592 8.231 -0.375 1.00 0.00 C ATOM 96 C GLY A 7 -3.702 7.268 -1.532 1.00 0.00 C ATOM 97 O GLY A 7 -4.675 6.522 -1.626 1.00 0.00 O ATOM 0 H GLY A 7 -1.569 7.961 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.955 7.746 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.239 9.089 -0.559 1.00 0.00 H new ATOM 101 N ARG A 8 -2.725 7.274 -2.428 1.00 0.00 N ATOM 102 CA ARG A 8 -2.757 6.342 -3.538 1.00 0.00 C ATOM 103 C ARG A 8 -2.030 5.056 -3.172 1.00 0.00 C ATOM 104 O ARG A 8 -0.983 5.081 -2.519 1.00 0.00 O ATOM 105 CB ARG A 8 -2.167 6.948 -4.815 1.00 0.00 C ATOM 106 CG ARG A 8 -2.449 6.090 -6.037 1.00 0.00 C ATOM 107 CD ARG A 8 -2.042 6.766 -7.334 1.00 0.00 C ATOM 108 NE ARG A 8 -2.556 6.032 -8.490 1.00 0.00 N ATOM 109 CZ ARG A 8 -2.158 6.214 -9.751 1.00 0.00 C ATOM 110 NH1 ARG A 8 -1.209 7.096 -10.043 1.00 0.00 N ATOM 111 NH2 ARG A 8 -2.721 5.504 -10.721 1.00 0.00 N ATOM 0 H ARG A 8 -1.919 7.899 -2.408 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.803 6.113 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.582 7.944 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.090 7.066 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.916 5.144 -5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.513 5.855 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.420 7.788 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.955 6.827 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.273 5.327 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.775 7.644 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.914 7.226 -11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.451 4.827 -10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.424 5.636 -11.688 1.00 0.00 H new ATOM 125 N ILE A 9 -2.611 3.936 -3.581 1.00 0.00 N ATOM 126 CA ILE A 9 -2.048 2.624 -3.318 1.00 0.00 C ATOM 127 C ILE A 9 -0.892 2.350 -4.275 1.00 0.00 C ATOM 128 O ILE A 9 -0.894 2.818 -5.413 1.00 0.00 O ATOM 129 CB ILE A 9 -3.124 1.522 -3.471 1.00 0.00 C ATOM 130 CG1 ILE A 9 -4.369 1.875 -2.646 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.571 0.167 -3.041 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.506 0.891 -2.806 1.00 0.00 C ATOM 0 H ILE A 9 -3.486 3.914 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.680 2.610 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.406 1.461 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.093 1.928 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.716 2.867 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.343 -0.594 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.713 -0.090 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.262 0.215 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.350 1.207 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.811 0.854 -3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.178 -0.099 -2.489 1.00 0.00 H new ATOM 144 N CYS A 10 0.109 1.633 -3.794 1.00 0.00 N ATOM 145 CA CYS A 10 1.221 1.199 -4.618 1.00 0.00 C ATOM 146 C CYS A 10 1.498 -0.276 -4.358 1.00 0.00 C ATOM 147 O CYS A 10 1.277 -0.768 -3.250 1.00 0.00 O ATOM 148 CB CYS A 10 2.465 2.050 -4.330 1.00 0.00 C ATOM 149 SG CYS A 10 2.851 2.219 -2.569 1.00 0.00 S ATOM 0 H CYS A 10 0.173 1.336 -2.820 1.00 0.00 H new ATOM 0 HA CYS A 10 0.965 1.329 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.321 1.607 -4.838 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.320 3.043 -4.756 1.00 0.00 H new ATOM 0 HG CYS A 10 1.832 1.828 -1.862 1.00 0.00 H new ATOM 155 N VAL A 11 1.957 -0.983 -5.375 1.00 0.00 N ATOM 156 CA VAL A 11 2.206 -2.410 -5.244 1.00 0.00 C ATOM 157 C VAL A 11 3.700 -2.710 -5.207 1.00 0.00 C ATOM 158 O VAL A 11 4.501 -2.051 -5.878 1.00 0.00 O ATOM 159 CB VAL A 11 1.530 -3.217 -6.379 1.00 0.00 C ATOM 160 CG1 VAL A 11 2.115 -2.845 -7.730 1.00 0.00 C ATOM 161 CG2 VAL A 11 1.648 -4.713 -6.134 1.00 0.00 C ATOM 0 H VAL A 11 2.164 -0.597 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 11 1.765 -2.722 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 11 0.471 -2.961 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.624 -3.425 -8.511 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.958 -1.782 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.184 -3.060 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.164 -5.254 -6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.701 -4.992 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.164 -4.967 -5.191 1.00 0.00 H new ATOM 171 N LYS A 12 4.069 -3.703 -4.409 1.00 0.00 N ATOM 172 CA LYS A 12 5.460 -4.101 -4.268 1.00 0.00 C ATOM 173 C LYS A 12 5.818 -5.080 -5.383 1.00 0.00 C ATOM 174 O LYS A 12 5.801 -6.296 -5.195 1.00 0.00 O ATOM 175 CB LYS A 12 5.685 -4.726 -2.884 1.00 0.00 C ATOM 176 CG LYS A 12 7.083 -4.512 -2.310 1.00 0.00 C ATOM 177 CD LYS A 12 8.081 -5.549 -2.805 1.00 0.00 C ATOM 178 CE LYS A 12 9.447 -5.343 -2.166 1.00 0.00 C ATOM 179 NZ LYS A 12 10.374 -6.474 -2.441 1.00 0.00 N ATOM 0 H LYS A 12 3.418 -4.250 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 12 6.108 -3.229 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.954 -4.312 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.493 -5.797 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.435 -3.516 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.035 -4.549 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.715 -6.550 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.170 -5.484 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.885 -4.418 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.328 -5.227 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.241 -6.357 -1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.913 -7.371 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.617 -6.486 -3.452 1.00 0.00 H new ATOM 193 N VAL A 13 6.104 -4.529 -6.556 1.00 0.00 N ATOM 194 CA VAL A 13 6.356 -5.328 -7.751 1.00 0.00 C ATOM 195 C VAL A 13 7.604 -6.193 -7.616 1.00 0.00 C ATOM 196 O VAL A 13 7.601 -7.362 -8.006 1.00 0.00 O ATOM 197 CB VAL A 13 6.478 -4.438 -9.009 1.00 0.00 C ATOM 198 CG1 VAL A 13 5.122 -3.873 -9.393 1.00 0.00 C ATOM 199 CG2 VAL A 13 7.472 -3.308 -8.783 1.00 0.00 C ATOM 0 H VAL A 13 6.168 -3.522 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 13 5.495 -5.988 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 13 6.845 -5.059 -9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.226 -3.249 -10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.433 -4.691 -9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.732 -3.273 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.539 -2.697 -9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.138 -2.691 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.452 -3.726 -8.554 1.00 0.00 H new ATOM 209 N LYS A 14 8.658 -5.632 -7.041 1.00 0.00 N ATOM 210 CA LYS A 14 9.927 -6.339 -6.915 1.00 0.00 C ATOM 211 C LYS A 14 9.925 -7.266 -5.701 1.00 0.00 C ATOM 212 O LYS A 14 10.901 -7.339 -4.956 1.00 0.00 O ATOM 213 CB LYS A 14 11.084 -5.339 -6.818 1.00 0.00 C ATOM 214 CG LYS A 14 11.935 -5.271 -8.076 1.00 0.00 C ATOM 215 CD LYS A 14 11.142 -4.765 -9.270 1.00 0.00 C ATOM 216 CE LYS A 14 11.939 -4.908 -10.559 1.00 0.00 C ATOM 217 NZ LYS A 14 11.224 -4.342 -11.734 1.00 0.00 N ATOM 0 H LYS A 14 8.661 -4.688 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 14 10.062 -6.952 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.681 -4.348 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.718 -5.610 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.788 -4.615 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.334 -6.261 -8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.209 -5.322 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.877 -3.719 -9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.900 -4.407 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.149 -5.963 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.807 -4.464 -12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.318 -4.837 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.046 -3.329 -11.578 1.00 0.00 H new ATOM 231 N GLY A 15 8.821 -7.970 -5.504 1.00 0.00 N ATOM 232 CA GLY A 15 8.728 -8.930 -4.425 1.00 0.00 C ATOM 233 C GLY A 15 8.849 -10.352 -4.929 1.00 0.00 C ATOM 234 O GLY A 15 9.790 -11.065 -4.584 1.00 0.00 O ATOM 0 H GLY A 15 7.981 -7.892 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.514 -8.734 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.776 -8.807 -3.909 1.00 0.00 H new ATOM 238 N ARG A 16 7.890 -10.751 -5.754 1.00 0.00 N ATOM 239 CA ARG A 16 7.880 -12.070 -6.379 1.00 0.00 C ATOM 240 C ARG A 16 6.669 -12.198 -7.292 1.00 0.00 C ATOM 241 O ARG A 16 6.805 -12.264 -8.510 1.00 0.00 O ATOM 242 CB ARG A 16 7.859 -13.194 -5.332 1.00 0.00 C ATOM 243 CG ARG A 16 7.763 -14.582 -5.944 1.00 0.00 C ATOM 244 CD ARG A 16 7.711 -15.663 -4.879 1.00 0.00 C ATOM 245 NE ARG A 16 7.309 -16.956 -5.432 1.00 0.00 N ATOM 246 CZ ARG A 16 7.169 -18.068 -4.712 1.00 0.00 C ATOM 247 NH1 ARG A 16 7.513 -18.086 -3.430 1.00 0.00 N ATOM 248 NH2 ARG A 16 6.713 -19.171 -5.291 1.00 0.00 N ATOM 0 H ARG A 16 7.093 -10.168 -6.010 1.00 0.00 H new ATOM 0 HA ARG A 16 8.796 -12.170 -6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.763 -13.133 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.014 -13.041 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.872 -14.643 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.621 -14.753 -6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.690 -15.758 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.010 -15.369 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 16 7.124 -17.010 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.887 -17.245 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.403 -18.941 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.472 -19.164 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.604 -20.026 -4.745 1.00 0.00 H new ATOM 262 N GLU A 17 5.488 -12.213 -6.689 1.00 0.00 N ATOM 263 CA GLU A 17 4.247 -12.369 -7.437 1.00 0.00 C ATOM 264 C GLU A 17 3.505 -11.036 -7.543 1.00 0.00 C ATOM 265 O GLU A 17 2.562 -10.903 -8.324 1.00 0.00 O ATOM 266 CB GLU A 17 3.366 -13.419 -6.759 1.00 0.00 C ATOM 267 CG GLU A 17 4.057 -14.765 -6.591 1.00 0.00 C ATOM 268 CD GLU A 17 3.198 -15.780 -5.865 1.00 0.00 C ATOM 269 OE1 GLU A 17 3.159 -15.755 -4.620 1.00 0.00 O ATOM 270 OE2 GLU A 17 2.550 -16.609 -6.537 1.00 0.00 O ATOM 0 H GLU A 17 5.363 -12.119 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 17 4.486 -12.701 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.061 -13.050 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.458 -13.555 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.323 -15.157 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.988 -14.624 -6.041 1.00 0.00 H new ATOM 277 N ALA A 18 3.943 -10.064 -6.734 1.00 0.00 N ATOM 278 CA ALA A 18 3.410 -8.700 -6.764 1.00 0.00 C ATOM 279 C ALA A 18 1.937 -8.653 -6.359 1.00 0.00 C ATOM 280 O ALA A 18 1.098 -8.119 -7.085 1.00 0.00 O ATOM 281 CB ALA A 18 3.617 -8.065 -8.137 1.00 0.00 C ATOM 0 H ALA A 18 4.678 -10.203 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 18 3.966 -8.119 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.213 -7.053 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.682 -8.030 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.104 -8.658 -8.893 1.00 0.00 H new ATOM 287 N GLY A 19 1.627 -9.213 -5.195 1.00 0.00 N ATOM 288 CA GLY A 19 0.269 -9.143 -4.684 1.00 0.00 C ATOM 289 C GLY A 19 0.176 -8.264 -3.452 1.00 0.00 C ATOM 290 O GLY A 19 -0.915 -7.825 -3.065 1.00 0.00 O ATOM 0 H GLY A 19 2.287 -9.712 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.391 -8.754 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.080 -10.147 -4.442 1.00 0.00 H new ATOM 294 N SER A 20 1.325 -8.003 -2.846 1.00 0.00 N ATOM 295 CA SER A 20 1.400 -7.182 -1.650 1.00 0.00 C ATOM 296 C SER A 20 1.335 -5.706 -2.019 1.00 0.00 C ATOM 297 O SER A 20 2.121 -5.223 -2.836 1.00 0.00 O ATOM 298 CB SER A 20 2.697 -7.489 -0.901 1.00 0.00 C ATOM 299 OG SER A 20 2.886 -8.891 -0.772 1.00 0.00 O ATOM 0 H SER A 20 2.227 -8.353 -3.169 1.00 0.00 H new ATOM 0 HA SER A 20 0.553 -7.410 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.542 -7.051 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.669 -7.029 0.087 1.00 0.00 H new ATOM 0 HG SER A 20 3.722 -9.066 -0.292 1.00 0.00 H new ATOM 305 N LYS A 21 0.387 -4.995 -1.424 1.00 0.00 N ATOM 306 CA LYS A 21 0.196 -3.584 -1.727 1.00 0.00 C ATOM 307 C LYS A 21 0.431 -2.744 -0.481 1.00 0.00 C ATOM 308 O LYS A 21 0.282 -3.231 0.640 1.00 0.00 O ATOM 309 CB LYS A 21 -1.224 -3.334 -2.238 1.00 0.00 C ATOM 310 CG LYS A 21 -1.689 -4.322 -3.291 1.00 0.00 C ATOM 311 CD LYS A 21 -3.125 -4.047 -3.706 1.00 0.00 C ATOM 312 CE LYS A 21 -3.832 -5.320 -4.138 1.00 0.00 C ATOM 313 NZ LYS A 21 -3.990 -6.271 -3.003 1.00 0.00 N ATOM 0 H LYS A 21 -0.260 -5.371 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 21 0.912 -3.302 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.913 -3.368 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.277 -2.327 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.038 -4.262 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.608 -5.337 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.665 -3.594 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.137 -3.327 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.812 -5.072 -4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.266 -5.798 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.745 -6.951 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.097 -6.782 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.238 -5.745 -2.141 1.00 0.00 H new ATOM 327 N CYS A 22 0.794 -1.489 -0.683 1.00 0.00 N ATOM 328 CA CYS A 22 0.984 -0.556 0.415 1.00 0.00 C ATOM 329 C CYS A 22 0.445 0.815 0.028 1.00 0.00 C ATOM 330 O CYS A 22 0.388 1.156 -1.150 1.00 0.00 O ATOM 331 CB CYS A 22 2.464 -0.455 0.784 1.00 0.00 C ATOM 332 SG CYS A 22 3.210 -2.028 1.274 1.00 0.00 S ATOM 0 H CYS A 22 0.964 -1.090 -1.606 1.00 0.00 H new ATOM 0 HA CYS A 22 0.437 -0.923 1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.013 -0.054 -0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.576 0.258 1.600 1.00 0.00 H new ATOM 0 HG CYS A 22 2.291 -2.946 1.329 1.00 0.00 H new ATOM 338 N VAL A 23 0.037 1.586 1.015 1.00 0.00 N ATOM 339 CA VAL A 23 -0.490 2.920 0.773 1.00 0.00 C ATOM 340 C VAL A 23 0.522 3.973 1.211 1.00 0.00 C ATOM 341 O VAL A 23 1.132 3.844 2.275 1.00 0.00 O ATOM 342 CB VAL A 23 -1.823 3.145 1.523 1.00 0.00 C ATOM 343 CG1 VAL A 23 -2.393 4.524 1.228 1.00 0.00 C ATOM 344 CG2 VAL A 23 -2.830 2.060 1.165 1.00 0.00 C ATOM 0 H VAL A 23 0.059 1.313 1.998 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.677 3.012 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.620 3.088 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.330 4.654 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.682 5.287 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.575 4.621 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.761 2.236 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.021 2.081 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.429 1.085 1.443 1.00 0.00 H new ATOM 354 N ILE A 24 0.717 4.989 0.380 1.00 0.00 N ATOM 355 CA ILE A 24 1.600 6.095 0.722 1.00 0.00 C ATOM 356 C ILE A 24 0.964 6.939 1.822 1.00 0.00 C ATOM 357 O ILE A 24 -0.025 7.633 1.588 1.00 0.00 O ATOM 358 CB ILE A 24 1.886 6.986 -0.504 1.00 0.00 C ATOM 359 CG1 ILE A 24 2.389 6.133 -1.674 1.00 0.00 C ATOM 360 CG2 ILE A 24 2.906 8.061 -0.151 1.00 0.00 C ATOM 361 CD1 ILE A 24 2.602 6.913 -2.954 1.00 0.00 C ATOM 0 H ILE A 24 0.275 5.069 -0.536 1.00 0.00 H new ATOM 0 HA ILE A 24 2.544 5.676 1.070 1.00 0.00 H new ATOM 0 HB ILE A 24 0.959 7.475 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.328 5.659 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.673 5.333 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.098 8.682 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.516 8.681 0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.835 7.590 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.958 6.241 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.660 7.365 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.341 7.696 -2.784 1.00 0.00 H new ATOM 373 N VAL A 25 1.520 6.859 3.022 1.00 0.00 N ATOM 374 CA VAL A 25 0.940 7.547 4.169 1.00 0.00 C ATOM 375 C VAL A 25 1.745 8.785 4.551 1.00 0.00 C ATOM 376 O VAL A 25 1.203 9.728 5.139 1.00 0.00 O ATOM 377 CB VAL A 25 0.815 6.616 5.395 1.00 0.00 C ATOM 378 CG1 VAL A 25 -0.185 5.506 5.120 1.00 0.00 C ATOM 379 CG2 VAL A 25 2.167 6.034 5.780 1.00 0.00 C ATOM 0 H VAL A 25 2.367 6.329 3.228 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.059 7.858 3.864 1.00 0.00 H new ATOM 0 HB VAL A 25 0.453 7.210 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.261 4.859 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.161 5.941 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.148 4.920 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.049 5.383 6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.567 5.459 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.855 6.843 6.025 1.00 0.00 H new ATOM 389 N ASP A 26 3.030 8.793 4.208 1.00 0.00 N ATOM 390 CA ASP A 26 3.884 9.927 4.533 1.00 0.00 C ATOM 391 C ASP A 26 5.105 9.959 3.625 1.00 0.00 C ATOM 392 O ASP A 26 5.538 8.926 3.111 1.00 0.00 O ATOM 393 CB ASP A 26 4.322 9.871 6.004 1.00 0.00 C ATOM 394 CG ASP A 26 4.988 11.158 6.455 1.00 0.00 C ATOM 395 OD1 ASP A 26 4.274 12.073 6.918 1.00 0.00 O ATOM 396 OD2 ASP A 26 6.221 11.274 6.335 1.00 0.00 O ATOM 0 H ASP A 26 3.497 8.035 3.710 1.00 0.00 H new ATOM 0 HA ASP A 26 3.309 10.839 4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.453 9.674 6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.012 9.039 6.144 1.00 0.00 H new ATOM 401 N ILE A 27 5.641 11.147 3.405 1.00 0.00 N ATOM 402 CA ILE A 27 6.833 11.315 2.594 1.00 0.00 C ATOM 403 C ILE A 27 8.006 11.724 3.482 1.00 0.00 C ATOM 404 O ILE A 27 7.992 12.792 4.095 1.00 0.00 O ATOM 405 CB ILE A 27 6.616 12.376 1.491 1.00 0.00 C ATOM 406 CG1 ILE A 27 5.392 12.014 0.639 1.00 0.00 C ATOM 407 CG2 ILE A 27 7.857 12.496 0.619 1.00 0.00 C ATOM 408 CD1 ILE A 27 5.028 13.067 -0.387 1.00 0.00 C ATOM 0 H ILE A 27 5.265 12.017 3.781 1.00 0.00 H new ATOM 0 HA ILE A 27 7.053 10.363 2.110 1.00 0.00 H new ATOM 0 HB ILE A 27 6.435 13.341 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.584 11.072 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.538 11.851 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.688 13.247 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.707 12.792 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.067 11.535 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.154 12.740 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.803 14.006 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.865 13.214 -1.070 1.00 0.00 H new ATOM 420 N ILE A 28 9.007 10.860 3.565 1.00 0.00 N ATOM 421 CA ILE A 28 10.136 11.085 4.455 1.00 0.00 C ATOM 422 C ILE A 28 11.204 11.943 3.784 1.00 0.00 C ATOM 423 O ILE A 28 11.661 12.938 4.347 1.00 0.00 O ATOM 424 CB ILE A 28 10.770 9.749 4.905 1.00 0.00 C ATOM 425 CG1 ILE A 28 9.719 8.845 5.562 1.00 0.00 C ATOM 426 CG2 ILE A 28 11.934 10.000 5.860 1.00 0.00 C ATOM 427 CD1 ILE A 28 9.099 9.429 6.816 1.00 0.00 C ATOM 0 H ILE A 28 9.060 9.996 3.026 1.00 0.00 H new ATOM 0 HA ILE A 28 9.751 11.610 5.329 1.00 0.00 H new ATOM 0 HB ILE A 28 11.155 9.240 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.929 8.640 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.181 7.889 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 28 12.366 9.047 6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 28 12.694 10.599 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.574 10.533 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.367 8.730 7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.878 9.607 7.558 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.606 10.371 6.574 1.00 0.00 H new ATOM 439 N ASP A 29 11.579 11.563 2.575 1.00 0.00 N ATOM 440 CA ASP A 29 12.659 12.226 1.860 1.00 0.00 C ATOM 441 C ASP A 29 12.253 12.434 0.403 1.00 0.00 C ATOM 442 O ASP A 29 11.074 12.352 0.065 1.00 0.00 O ATOM 443 CB ASP A 29 13.934 11.370 1.960 1.00 0.00 C ATOM 444 CG ASP A 29 15.200 12.103 1.559 1.00 0.00 C ATOM 445 OD1 ASP A 29 15.763 12.832 2.400 1.00 0.00 O ATOM 446 OD2 ASP A 29 15.648 11.938 0.404 1.00 0.00 O ATOM 0 H ASP A 29 11.148 10.793 2.063 1.00 0.00 H new ATOM 0 HA ASP A 29 12.859 13.201 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.041 11.014 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.820 10.490 1.327 1.00 0.00 H new ATOM 451 N ASP A 30 13.228 12.696 -0.451 1.00 0.00 N ATOM 452 CA ASP A 30 12.988 12.875 -1.877 1.00 0.00 C ATOM 453 C ASP A 30 12.888 11.511 -2.538 1.00 0.00 C ATOM 454 O ASP A 30 11.985 11.240 -3.328 1.00 0.00 O ATOM 455 CB ASP A 30 14.135 13.685 -2.505 1.00 0.00 C ATOM 456 CG ASP A 30 13.963 13.926 -3.997 1.00 0.00 C ATOM 457 OD1 ASP A 30 14.322 13.036 -4.801 1.00 0.00 O ATOM 458 OD2 ASP A 30 13.500 15.023 -4.375 1.00 0.00 O ATOM 0 H ASP A 30 14.206 12.791 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 30 12.056 13.420 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.211 14.646 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.075 13.160 -2.336 1.00 0.00 H new ATOM 463 N ASN A 31 13.820 10.645 -2.173 1.00 0.00 N ATOM 464 CA ASN A 31 13.895 9.301 -2.730 1.00 0.00 C ATOM 465 C ASN A 31 13.145 8.309 -1.842 1.00 0.00 C ATOM 466 O ASN A 31 12.557 7.341 -2.327 1.00 0.00 O ATOM 467 CB ASN A 31 15.368 8.903 -2.871 1.00 0.00 C ATOM 468 CG ASN A 31 15.588 7.478 -3.354 1.00 0.00 C ATOM 469 OD1 ASN A 31 14.781 6.912 -4.091 1.00 0.00 O ATOM 470 ND2 ASN A 31 16.708 6.896 -2.945 1.00 0.00 N ATOM 0 H ASN A 31 14.544 10.851 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 31 13.423 9.286 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.852 9.589 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.860 9.027 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.926 5.945 -3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 31 17.351 7.400 -2.334 1.00 0.00 H new ATOM 477 N PHE A 32 13.150 8.568 -0.541 1.00 0.00 N ATOM 478 CA PHE A 32 12.541 7.661 0.429 1.00 0.00 C ATOM 479 C PHE A 32 11.162 8.146 0.861 1.00 0.00 C ATOM 480 O PHE A 32 10.962 9.330 1.129 1.00 0.00 O ATOM 481 CB PHE A 32 13.443 7.501 1.660 1.00 0.00 C ATOM 482 CG PHE A 32 14.585 6.548 1.456 1.00 0.00 C ATOM 483 CD1 PHE A 32 15.635 6.867 0.614 1.00 0.00 C ATOM 484 CD2 PHE A 32 14.601 5.329 2.111 1.00 0.00 C ATOM 485 CE1 PHE A 32 16.681 5.986 0.427 1.00 0.00 C ATOM 486 CE2 PHE A 32 15.644 4.442 1.929 1.00 0.00 C ATOM 487 CZ PHE A 32 16.688 4.772 1.086 1.00 0.00 C ATOM 0 H PHE A 32 13.570 9.401 -0.130 1.00 0.00 H new ATOM 0 HA PHE A 32 12.425 6.694 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.842 8.477 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.839 7.155 2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.636 7.815 0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 32 13.788 5.068 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.494 6.246 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.644 3.493 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.507 4.083 0.943 1.00 0.00 H new ATOM 497 N VAL A 33 10.218 7.217 0.936 1.00 0.00 N ATOM 498 CA VAL A 33 8.861 7.527 1.362 1.00 0.00 C ATOM 499 C VAL A 33 8.388 6.510 2.396 1.00 0.00 C ATOM 500 O VAL A 33 9.032 5.478 2.601 1.00 0.00 O ATOM 501 CB VAL A 33 7.867 7.542 0.178 1.00 0.00 C ATOM 502 CG1 VAL A 33 8.164 8.700 -0.768 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.903 6.217 -0.576 1.00 0.00 C ATOM 0 H VAL A 33 10.370 6.235 0.705 1.00 0.00 H new ATOM 0 HA VAL A 33 8.885 8.525 1.799 1.00 0.00 H new ATOM 0 HB VAL A 33 6.865 7.680 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.451 8.688 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.078 9.643 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.175 8.598 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.196 6.251 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.907 6.046 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.632 5.406 0.100 1.00 0.00 H new ATOM 513 N LEU A 34 7.271 6.793 3.046 1.00 0.00 N ATOM 514 CA LEU A 34 6.728 5.879 4.029 1.00 0.00 C ATOM 515 C LEU A 34 5.425 5.286 3.521 1.00 0.00 C ATOM 516 O LEU A 34 4.435 5.996 3.315 1.00 0.00 O ATOM 517 CB LEU A 34 6.507 6.595 5.363 1.00 0.00 C ATOM 518 CG LEU A 34 6.049 5.701 6.517 1.00 0.00 C ATOM 519 CD1 LEU A 34 7.091 4.631 6.815 1.00 0.00 C ATOM 520 CD2 LEU A 34 5.768 6.536 7.756 1.00 0.00 C ATOM 0 H LEU A 34 6.727 7.645 2.910 1.00 0.00 H new ATOM 0 HA LEU A 34 7.442 5.072 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.437 7.085 5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.765 7.380 5.217 1.00 0.00 H new ATOM 0 HG LEU A 34 5.126 5.203 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.746 4.006 7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.242 4.013 5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.032 5.107 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.443 5.885 8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.675 7.062 8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.984 7.261 7.536 1.00 0.00 H new ATOM 532 N VAL A 35 5.434 3.982 3.310 1.00 0.00 N ATOM 533 CA VAL A 35 4.259 3.271 2.841 1.00 0.00 C ATOM 534 C VAL A 35 3.929 2.129 3.788 1.00 0.00 C ATOM 535 O VAL A 35 4.817 1.575 4.438 1.00 0.00 O ATOM 536 CB VAL A 35 4.455 2.717 1.408 1.00 0.00 C ATOM 537 CG1 VAL A 35 4.630 3.853 0.407 1.00 0.00 C ATOM 538 CG2 VAL A 35 5.646 1.770 1.349 1.00 0.00 C ATOM 0 H VAL A 35 6.251 3.389 3.458 1.00 0.00 H new ATOM 0 HA VAL A 35 3.433 3.982 2.817 1.00 0.00 H new ATOM 0 HB VAL A 35 3.559 2.157 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.766 3.440 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.745 4.488 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.505 4.444 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.762 1.395 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.550 2.303 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.480 0.933 2.028 1.00 0.00 H new ATOM 548 N THR A 36 2.656 1.799 3.887 1.00 0.00 N ATOM 549 CA THR A 36 2.228 0.713 4.744 1.00 0.00 C ATOM 550 C THR A 36 0.944 0.089 4.213 1.00 0.00 C ATOM 551 O THR A 36 0.116 0.769 3.605 1.00 0.00 O ATOM 552 CB THR A 36 2.017 1.194 6.200 1.00 0.00 C ATOM 553 OG1 THR A 36 1.709 0.085 7.055 1.00 0.00 O ATOM 554 CG2 THR A 36 0.902 2.226 6.292 1.00 0.00 C ATOM 0 H THR A 36 1.902 2.267 3.385 1.00 0.00 H new ATOM 0 HA THR A 36 3.017 -0.039 4.744 1.00 0.00 H new ATOM 0 HB THR A 36 2.947 1.660 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.580 0.405 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.782 2.541 7.329 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.154 3.090 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.030 1.787 5.936 1.00 0.00 H new ATOM 562 N GLY A 37 0.806 -1.207 4.410 1.00 0.00 N ATOM 563 CA GLY A 37 -0.423 -1.881 4.064 1.00 0.00 C ATOM 564 C GLY A 37 -1.240 -2.145 5.304 1.00 0.00 C ATOM 565 O GLY A 37 -0.811 -2.939 6.141 1.00 0.00 O ATOM 0 H GLY A 37 1.528 -1.809 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.996 -1.272 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.201 -2.821 3.559 1.00 0.00 H new ATOM 569 N PRO A 38 -2.410 -1.476 5.442 1.00 0.00 N ATOM 570 CA PRO A 38 -3.260 -1.527 6.637 1.00 0.00 C ATOM 571 C PRO A 38 -3.164 -2.846 7.389 1.00 0.00 C ATOM 572 O PRO A 38 -3.546 -3.897 6.876 1.00 0.00 O ATOM 573 CB PRO A 38 -4.653 -1.333 6.046 1.00 0.00 C ATOM 574 CG PRO A 38 -4.445 -0.420 4.883 1.00 0.00 C ATOM 575 CD PRO A 38 -3.018 -0.614 4.412 1.00 0.00 C ATOM 0 HA PRO A 38 -2.975 -0.784 7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.086 -2.283 5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.336 -0.897 6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.149 -0.649 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.617 0.617 5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.984 -1.084 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.493 0.338 4.329 1.00 0.00 H new ATOM 583 N LYS A 39 -2.646 -2.780 8.607 1.00 0.00 N ATOM 584 CA LYS A 39 -2.333 -3.973 9.378 1.00 0.00 C ATOM 585 C LYS A 39 -3.609 -4.715 9.752 1.00 0.00 C ATOM 586 O LYS A 39 -3.647 -5.945 9.790 1.00 0.00 O ATOM 587 CB LYS A 39 -1.548 -3.588 10.634 1.00 0.00 C ATOM 588 CG LYS A 39 -0.999 -4.775 11.403 1.00 0.00 C ATOM 589 CD LYS A 39 -0.313 -4.333 12.684 1.00 0.00 C ATOM 590 CE LYS A 39 0.263 -5.517 13.445 1.00 0.00 C ATOM 591 NZ LYS A 39 0.835 -5.108 14.755 1.00 0.00 N ATOM 0 H LYS A 39 -2.432 -1.905 9.085 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.719 -4.637 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.721 -2.938 10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.196 -3.009 11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.810 -5.463 11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.291 -5.320 10.778 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.485 -3.629 12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.027 -3.805 13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.518 -6.260 13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.037 -5.993 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.217 -5.943 15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.598 -4.418 14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.091 -4.676 15.339 1.00 0.00 H new ATOM 605 N ASP A 40 -4.663 -3.954 9.993 1.00 0.00 N ATOM 606 CA ASP A 40 -5.941 -4.525 10.390 1.00 0.00 C ATOM 607 C ASP A 40 -6.623 -5.212 9.208 1.00 0.00 C ATOM 608 O ASP A 40 -7.477 -6.080 9.386 1.00 0.00 O ATOM 609 CB ASP A 40 -6.835 -3.423 10.953 1.00 0.00 C ATOM 610 CG ASP A 40 -8.152 -3.945 11.487 1.00 0.00 C ATOM 611 OD1 ASP A 40 -8.153 -4.563 12.571 1.00 0.00 O ATOM 612 OD2 ASP A 40 -9.196 -3.699 10.851 1.00 0.00 O ATOM 0 H ASP A 40 -4.660 -2.937 9.921 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.767 -5.278 11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.305 -2.905 11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.031 -2.688 10.173 1.00 0.00 H new ATOM 617 N ILE A 41 -6.225 -4.830 8.001 1.00 0.00 N ATOM 618 CA ILE A 41 -6.833 -5.375 6.794 1.00 0.00 C ATOM 619 C ILE A 41 -5.891 -6.366 6.109 1.00 0.00 C ATOM 620 O ILE A 41 -6.130 -7.576 6.116 1.00 0.00 O ATOM 621 CB ILE A 41 -7.214 -4.253 5.801 1.00 0.00 C ATOM 622 CG1 ILE A 41 -8.123 -3.220 6.482 1.00 0.00 C ATOM 623 CG2 ILE A 41 -7.897 -4.845 4.572 1.00 0.00 C ATOM 624 CD1 ILE A 41 -8.491 -2.049 5.592 1.00 0.00 C ATOM 0 H ILE A 41 -5.486 -4.147 7.832 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.741 -5.896 7.096 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.304 -3.747 5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.036 -3.715 6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.624 -2.843 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.160 -4.044 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.219 -5.542 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.801 -5.373 4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.134 -1.362 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.585 -1.528 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.019 -2.414 4.711 1.00 0.00 H new ATOM 636 N THR A 42 -4.815 -5.845 5.539 1.00 0.00 N ATOM 637 CA THR A 42 -3.867 -6.651 4.787 1.00 0.00 C ATOM 638 C THR A 42 -2.808 -7.253 5.710 1.00 0.00 C ATOM 639 O THR A 42 -2.422 -8.413 5.555 1.00 0.00 O ATOM 640 CB THR A 42 -3.182 -5.795 3.710 1.00 0.00 C ATOM 641 OG1 THR A 42 -4.097 -4.797 3.238 1.00 0.00 O ATOM 642 CG2 THR A 42 -2.726 -6.660 2.547 1.00 0.00 C ATOM 0 H THR A 42 -4.575 -4.855 5.585 1.00 0.00 H new ATOM 0 HA THR A 42 -4.418 -7.463 4.311 1.00 0.00 H new ATOM 0 HB THR A 42 -2.308 -5.315 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.813 -4.485 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.244 -6.035 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.019 -7.408 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.588 -7.159 2.105 1.00 0.00 H new ATOM 650 N GLY A 43 -2.343 -6.458 6.670 1.00 0.00 N ATOM 651 CA GLY A 43 -1.379 -6.947 7.638 1.00 0.00 C ATOM 652 C GLY A 43 0.052 -6.865 7.142 1.00 0.00 C ATOM 653 O GLY A 43 0.879 -7.723 7.467 1.00 0.00 O ATOM 0 H GLY A 43 -2.617 -5.483 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.472 -6.371 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.613 -7.982 7.885 1.00 0.00 H new ATOM 657 N VAL A 44 0.357 -5.829 6.374 1.00 0.00 N ATOM 658 CA VAL A 44 1.685 -5.674 5.799 1.00 0.00 C ATOM 659 C VAL A 44 2.591 -4.883 6.738 1.00 0.00 C ATOM 660 O VAL A 44 2.271 -3.757 7.123 1.00 0.00 O ATOM 661 CB VAL A 44 1.629 -4.969 4.426 1.00 0.00 C ATOM 662 CG1 VAL A 44 3.020 -4.821 3.829 1.00 0.00 C ATOM 663 CG2 VAL A 44 0.713 -5.724 3.472 1.00 0.00 C ATOM 0 H VAL A 44 -0.297 -5.084 6.135 1.00 0.00 H new ATOM 0 HA VAL A 44 2.094 -6.675 5.659 1.00 0.00 H new ATOM 0 HB VAL A 44 1.221 -3.970 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.950 -4.321 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.643 -4.229 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.466 -5.807 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.687 -5.211 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.089 -6.738 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.293 -5.764 3.889 1.00 0.00 H new ATOM 673 N LYS A 45 3.714 -5.484 7.113 1.00 0.00 N ATOM 674 CA LYS A 45 4.688 -4.818 7.965 1.00 0.00 C ATOM 675 C LYS A 45 5.437 -3.761 7.164 1.00 0.00 C ATOM 676 O LYS A 45 6.198 -4.080 6.248 1.00 0.00 O ATOM 677 CB LYS A 45 5.668 -5.835 8.561 1.00 0.00 C ATOM 678 CG LYS A 45 6.611 -5.240 9.598 1.00 0.00 C ATOM 679 CD LYS A 45 7.486 -6.307 10.237 1.00 0.00 C ATOM 680 CE LYS A 45 6.647 -7.378 10.916 1.00 0.00 C ATOM 681 NZ LYS A 45 7.487 -8.410 11.577 1.00 0.00 N ATOM 0 H LYS A 45 3.972 -6.432 6.839 1.00 0.00 H new ATOM 0 HA LYS A 45 4.163 -4.332 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.102 -6.646 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.257 -6.274 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.241 -4.486 9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.031 -4.734 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.118 -6.765 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.150 -5.846 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.996 -6.913 11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.002 -7.855 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.875 -9.120 12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.091 -8.873 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.085 -7.960 12.300 1.00 0.00 H new ATOM 695 N ARG A 46 5.198 -2.504 7.507 1.00 0.00 N ATOM 696 CA ARG A 46 5.760 -1.380 6.774 1.00 0.00 C ATOM 697 C ARG A 46 7.256 -1.230 7.016 1.00 0.00 C ATOM 698 O ARG A 46 7.767 -1.570 8.084 1.00 0.00 O ATOM 699 CB ARG A 46 5.048 -0.088 7.170 1.00 0.00 C ATOM 700 CG ARG A 46 5.238 0.294 8.628 1.00 0.00 C ATOM 701 CD ARG A 46 4.515 1.587 8.957 1.00 0.00 C ATOM 702 NE ARG A 46 4.828 2.066 10.299 1.00 0.00 N ATOM 703 CZ ARG A 46 4.550 3.292 10.734 1.00 0.00 C ATOM 704 NH1 ARG A 46 3.921 4.152 9.943 1.00 0.00 N ATOM 705 NH2 ARG A 46 4.897 3.647 11.963 1.00 0.00 N ATOM 0 H ARG A 46 4.612 -2.235 8.297 1.00 0.00 H new ATOM 0 HA ARG A 46 5.610 -1.578 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.412 0.724 6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.982 -0.195 6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.866 -0.506 9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.301 0.405 8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.788 2.350 8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.440 1.433 8.870 1.00 0.00 H new ATOM 0 HE ARG A 46 5.288 1.422 10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.650 3.873 9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.709 5.092 10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.375 2.981 12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.686 4.586 12.301 1.00 0.00 H new ATOM 719 N ARG A 47 7.947 -0.713 6.014 1.00 0.00 N ATOM 720 CA ARG A 47 9.369 -0.431 6.111 1.00 0.00 C ATOM 721 C ARG A 47 9.676 0.888 5.426 1.00 0.00 C ATOM 722 O ARG A 47 8.881 1.372 4.619 1.00 0.00 O ATOM 723 CB ARG A 47 10.195 -1.552 5.475 1.00 0.00 C ATOM 724 CG ARG A 47 10.245 -2.822 6.305 1.00 0.00 C ATOM 725 CD ARG A 47 10.973 -3.938 5.575 1.00 0.00 C ATOM 726 NE ARG A 47 12.325 -3.551 5.159 1.00 0.00 N ATOM 727 CZ ARG A 47 13.398 -4.329 5.298 1.00 0.00 C ATOM 728 NH1 ARG A 47 13.310 -5.485 5.944 1.00 0.00 N ATOM 729 NH2 ARG A 47 14.571 -3.931 4.825 1.00 0.00 N ATOM 0 H ARG A 47 7.538 -0.477 5.110 1.00 0.00 H new ATOM 0 HA ARG A 47 9.637 -0.366 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.779 -1.786 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.212 -1.194 5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.745 -2.619 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.231 -3.143 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.032 -4.813 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.396 -4.230 4.697 1.00 0.00 H new ATOM 0 HE ARG A 47 12.452 -2.631 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.417 -5.783 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.135 -6.076 6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.652 -3.029 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.392 -4.526 4.931 1.00 0.00 H new ATOM 743 N ARG A 48 10.816 1.473 5.758 1.00 0.00 N ATOM 744 CA ARG A 48 11.249 2.718 5.138 1.00 0.00 C ATOM 745 C ARG A 48 11.949 2.403 3.823 1.00 0.00 C ATOM 746 O ARG A 48 13.053 1.858 3.813 1.00 0.00 O ATOM 747 CB ARG A 48 12.177 3.485 6.089 1.00 0.00 C ATOM 748 CG ARG A 48 11.564 3.719 7.462 1.00 0.00 C ATOM 749 CD ARG A 48 12.530 4.403 8.416 1.00 0.00 C ATOM 750 NE ARG A 48 11.995 4.450 9.782 1.00 0.00 N ATOM 751 CZ ARG A 48 12.666 4.907 10.840 1.00 0.00 C ATOM 752 NH1 ARG A 48 13.898 5.382 10.702 1.00 0.00 N ATOM 753 NH2 ARG A 48 12.104 4.877 12.044 1.00 0.00 N ATOM 0 H ARG A 48 11.462 1.105 6.456 1.00 0.00 H new ATOM 0 HA ARG A 48 10.385 3.350 4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.109 2.931 6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.431 4.446 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.667 4.329 7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.253 2.764 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.482 3.871 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.731 5.416 8.068 1.00 0.00 H new ATOM 0 HE ARG A 48 11.045 4.110 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.338 5.399 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.405 5.730 11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.161 4.505 12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.616 5.226 12.854 1.00 0.00 H new ATOM 767 N VAL A 49 11.286 2.714 2.717 1.00 0.00 N ATOM 768 CA VAL A 49 11.779 2.338 1.397 1.00 0.00 C ATOM 769 C VAL A 49 11.875 3.542 0.470 1.00 0.00 C ATOM 770 O VAL A 49 11.526 4.662 0.845 1.00 0.00 O ATOM 771 CB VAL A 49 10.881 1.271 0.732 1.00 0.00 C ATOM 772 CG1 VAL A 49 10.923 -0.035 1.506 1.00 0.00 C ATOM 773 CG2 VAL A 49 9.448 1.775 0.607 1.00 0.00 C ATOM 0 H VAL A 49 10.404 3.226 2.707 1.00 0.00 H new ATOM 0 HA VAL A 49 12.774 1.922 1.553 1.00 0.00 H new ATOM 0 HB VAL A 49 11.268 1.083 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.282 -0.769 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.947 -0.408 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.570 0.134 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.832 1.008 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.053 1.999 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.432 2.678 -0.003 1.00 0.00 H new ATOM 783 N ASN A 50 12.344 3.297 -0.746 1.00 0.00 N ATOM 784 CA ASN A 50 12.498 4.349 -1.739 1.00 0.00 C ATOM 785 C ASN A 50 11.584 4.104 -2.939 1.00 0.00 C ATOM 786 O ASN A 50 11.017 3.020 -3.093 1.00 0.00 O ATOM 787 CB ASN A 50 13.960 4.446 -2.198 1.00 0.00 C ATOM 788 CG ASN A 50 14.424 3.237 -2.993 1.00 0.00 C ATOM 789 OD1 ASN A 50 13.972 2.114 -2.770 1.00 0.00 O ATOM 790 ND2 ASN A 50 15.332 3.459 -3.933 1.00 0.00 N ATOM 0 H ASN A 50 12.626 2.372 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 50 12.212 5.294 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.083 5.341 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.600 4.565 -1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.679 2.685 -4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.684 4.404 -4.089 1.00 0.00 H new ATOM 797 N ILE A 51 11.466 5.114 -3.791 1.00 0.00 N ATOM 798 CA ILE A 51 10.568 5.069 -4.945 1.00 0.00 C ATOM 799 C ILE A 51 10.991 4.007 -5.968 1.00 0.00 C ATOM 800 O ILE A 51 10.149 3.415 -6.645 1.00 0.00 O ATOM 801 CB ILE A 51 10.505 6.451 -5.642 1.00 0.00 C ATOM 802 CG1 ILE A 51 10.016 7.525 -4.662 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.608 6.403 -6.874 1.00 0.00 C ATOM 804 CD1 ILE A 51 8.605 7.301 -4.164 1.00 0.00 C ATOM 0 H ILE A 51 11.987 5.987 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 51 9.582 4.801 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 51 11.512 6.711 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.692 7.558 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.069 8.499 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.582 7.386 -7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.001 5.673 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.599 6.115 -6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.331 8.101 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.917 7.298 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.549 6.343 -3.647 1.00 0.00 H new ATOM 816 N LEU A 52 12.285 3.737 -6.050 1.00 0.00 N ATOM 817 CA LEU A 52 12.836 2.883 -7.110 1.00 0.00 C ATOM 818 C LEU A 52 12.588 1.388 -6.864 1.00 0.00 C ATOM 819 O LEU A 52 13.382 0.547 -7.289 1.00 0.00 O ATOM 820 CB LEU A 52 14.344 3.129 -7.264 1.00 0.00 C ATOM 821 CG LEU A 52 14.754 4.425 -7.984 1.00 0.00 C ATOM 822 CD1 LEU A 52 14.402 5.656 -7.160 1.00 0.00 C ATOM 823 CD2 LEU A 52 16.245 4.405 -8.288 1.00 0.00 C ATOM 0 H LEU A 52 12.981 4.095 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 52 12.314 3.155 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.793 3.133 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.774 2.286 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 52 14.197 4.480 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.706 6.554 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.326 5.683 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.922 5.614 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.525 5.327 -8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.805 4.321 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.475 3.553 -8.928 1.00 0.00 H new ATOM 835 N HIS A 53 11.487 1.048 -6.197 1.00 0.00 N ATOM 836 CA HIS A 53 11.155 -0.356 -5.948 1.00 0.00 C ATOM 837 C HIS A 53 9.647 -0.608 -6.001 1.00 0.00 C ATOM 838 O HIS A 53 9.191 -1.719 -5.719 1.00 0.00 O ATOM 839 CB HIS A 53 11.703 -0.816 -4.589 1.00 0.00 C ATOM 840 CG HIS A 53 13.181 -1.074 -4.581 1.00 0.00 C ATOM 841 ND1 HIS A 53 14.089 -0.260 -3.941 1.00 0.00 N ATOM 842 CD2 HIS A 53 13.909 -2.067 -5.146 1.00 0.00 C ATOM 843 CE1 HIS A 53 15.306 -0.743 -4.106 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.225 -1.837 -4.835 1.00 0.00 N ATOM 0 H HIS A 53 10.815 1.717 -5.822 1.00 0.00 H new ATOM 0 HA HIS A 53 11.625 -0.934 -6.743 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.473 -0.057 -3.841 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.184 -1.727 -4.289 1.00 0.00 H new ATOM 0 HD1 HIS A 53 13.857 0.586 -3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.524 -2.888 -5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.215 -0.314 -3.710 1.00 0.00 H new ATOM 853 N LEU A 54 8.872 0.407 -6.370 1.00 0.00 N ATOM 854 CA LEU A 54 7.418 0.278 -6.381 1.00 0.00 C ATOM 855 C LEU A 54 6.772 1.194 -7.418 1.00 0.00 C ATOM 856 O LEU A 54 7.404 2.131 -7.912 1.00 0.00 O ATOM 857 CB LEU A 54 6.850 0.553 -4.976 1.00 0.00 C ATOM 858 CG LEU A 54 7.385 1.807 -4.262 1.00 0.00 C ATOM 859 CD1 LEU A 54 6.759 3.075 -4.824 1.00 0.00 C ATOM 860 CD2 LEU A 54 7.129 1.710 -2.768 1.00 0.00 C ATOM 0 H LEU A 54 9.221 1.320 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 54 7.177 -0.746 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.766 0.640 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.056 -0.313 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 54 8.460 1.860 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.158 3.942 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.992 3.156 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.678 3.037 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.512 2.603 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.057 1.627 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.634 0.830 -2.369 1.00 0.00 H new ATOM 872 N GLU A 55 5.520 0.902 -7.754 1.00 0.00 N ATOM 873 CA GLU A 55 4.746 1.739 -8.651 1.00 0.00 C ATOM 874 C GLU A 55 3.313 1.874 -8.135 1.00 0.00 C ATOM 875 O GLU A 55 2.794 0.956 -7.492 1.00 0.00 O ATOM 876 CB GLU A 55 4.749 1.157 -10.065 1.00 0.00 C ATOM 877 CG GLU A 55 4.174 -0.244 -10.171 1.00 0.00 C ATOM 878 CD GLU A 55 4.151 -0.747 -11.602 1.00 0.00 C ATOM 879 OE1 GLU A 55 3.152 -0.500 -12.316 1.00 0.00 O ATOM 880 OE2 GLU A 55 5.133 -1.393 -12.025 1.00 0.00 O ATOM 0 H GLU A 55 5.019 0.082 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 55 5.203 2.728 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.181 1.819 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.774 1.145 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.765 -0.925 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.161 -0.251 -9.769 1.00 0.00 H new ATOM 887 N PRO A 56 2.670 3.027 -8.386 1.00 0.00 N ATOM 888 CA PRO A 56 1.300 3.294 -7.929 1.00 0.00 C ATOM 889 C PRO A 56 0.258 2.445 -8.656 1.00 0.00 C ATOM 890 O PRO A 56 0.411 2.129 -9.838 1.00 0.00 O ATOM 891 CB PRO A 56 1.087 4.784 -8.250 1.00 0.00 C ATOM 892 CG PRO A 56 2.440 5.324 -8.580 1.00 0.00 C ATOM 893 CD PRO A 56 3.224 4.167 -9.124 1.00 0.00 C ATOM 0 HA PRO A 56 1.181 3.049 -6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.400 4.910 -9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.652 5.309 -7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.371 6.128 -9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.921 5.740 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.089 4.057 -10.200 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.293 4.283 -8.947 1.00 0.00 H new ATOM 901 N THR A 57 -0.801 2.090 -7.943 1.00 0.00 N ATOM 902 CA THR A 57 -1.867 1.266 -8.488 1.00 0.00 C ATOM 903 C THR A 57 -3.239 1.875 -8.214 1.00 0.00 C ATOM 904 O THR A 57 -3.457 2.481 -7.162 1.00 0.00 O ATOM 905 CB THR A 57 -1.828 -0.152 -7.885 1.00 0.00 C ATOM 906 OG1 THR A 57 -1.657 -0.070 -6.464 1.00 0.00 O ATOM 907 CG2 THR A 57 -0.705 -0.974 -8.491 1.00 0.00 C ATOM 0 H THR A 57 -0.944 2.365 -6.971 1.00 0.00 H new ATOM 0 HA THR A 57 -1.707 1.214 -9.565 1.00 0.00 H new ATOM 0 HB THR A 57 -2.773 -0.646 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.634 -0.973 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.702 -1.969 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.855 -1.058 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.250 -0.486 -8.295 1.00 0.00 H new ATOM 915 N ASP A 58 -4.139 1.714 -9.182 1.00 0.00 N ATOM 916 CA ASP A 58 -5.548 2.099 -9.047 1.00 0.00 C ATOM 917 C ASP A 58 -5.698 3.579 -8.665 1.00 0.00 C ATOM 918 O ASP A 58 -4.848 4.411 -8.998 1.00 0.00 O ATOM 919 CB ASP A 58 -6.246 1.190 -8.019 1.00 0.00 C ATOM 920 CG ASP A 58 -7.760 1.160 -8.181 1.00 0.00 C ATOM 921 OD1 ASP A 58 -8.259 0.386 -9.020 1.00 0.00 O ATOM 922 OD2 ASP A 58 -8.458 1.913 -7.468 1.00 0.00 O ATOM 0 H ASP A 58 -3.912 1.310 -10.091 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.029 1.969 -10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.856 0.177 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.001 1.533 -7.014 1.00 0.00 H new ATOM 927 N LYS A 59 -6.784 3.890 -7.975 1.00 0.00 N ATOM 928 CA LYS A 59 -7.140 5.253 -7.627 1.00 0.00 C ATOM 929 C LYS A 59 -6.622 5.606 -6.241 1.00 0.00 C ATOM 930 O LYS A 59 -6.198 4.731 -5.485 1.00 0.00 O ATOM 931 CB LYS A 59 -8.662 5.406 -7.663 1.00 0.00 C ATOM 932 CG LYS A 59 -9.299 4.866 -8.938 1.00 0.00 C ATOM 933 CD LYS A 59 -10.817 4.880 -8.864 1.00 0.00 C ATOM 934 CE LYS A 59 -11.335 4.016 -7.721 1.00 0.00 C ATOM 935 NZ LYS A 59 -10.955 2.583 -7.868 1.00 0.00 N ATOM 0 H LYS A 59 -7.449 3.194 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.684 5.930 -8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.091 4.889 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.915 6.461 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.972 5.464 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.954 3.847 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.165 5.904 -8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.230 4.522 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.945 4.397 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.421 4.097 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.721 1.982 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.794 2.368 -8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.084 2.398 -7.330 1.00 0.00 H new ATOM 949 N LYS A 60 -6.642 6.889 -5.913 1.00 0.00 N ATOM 950 CA LYS A 60 -6.212 7.337 -4.602 1.00 0.00 C ATOM 951 C LYS A 60 -7.405 7.684 -3.719 1.00 0.00 C ATOM 952 O LYS A 60 -8.484 8.021 -4.213 1.00 0.00 O ATOM 953 CB LYS A 60 -5.298 8.561 -4.710 1.00 0.00 C ATOM 954 CG LYS A 60 -5.882 9.707 -5.524 1.00 0.00 C ATOM 955 CD LYS A 60 -5.159 11.014 -5.232 1.00 0.00 C ATOM 956 CE LYS A 60 -5.708 11.687 -3.979 1.00 0.00 C ATOM 957 NZ LYS A 60 -6.903 12.522 -4.282 1.00 0.00 N ATOM 0 H LYS A 60 -6.951 7.635 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.659 6.514 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.072 8.921 -3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.353 8.256 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.807 9.477 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.942 9.816 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.094 10.822 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.263 11.687 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.972 10.927 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.933 12.309 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.309 12.882 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.624 13.322 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.612 11.946 -4.779 1.00 0.00 H new ATOM 971 N ILE A 61 -7.201 7.590 -2.416 1.00 0.00 N ATOM 972 CA ILE A 61 -8.166 8.091 -1.453 1.00 0.00 C ATOM 973 C ILE A 61 -7.739 9.486 -1.019 1.00 0.00 C ATOM 974 O ILE A 61 -6.553 9.819 -1.069 1.00 0.00 O ATOM 975 CB ILE A 61 -8.296 7.173 -0.214 1.00 0.00 C ATOM 976 CG1 ILE A 61 -6.947 7.026 0.497 1.00 0.00 C ATOM 977 CG2 ILE A 61 -8.842 5.812 -0.623 1.00 0.00 C ATOM 978 CD1 ILE A 61 -6.996 6.152 1.734 1.00 0.00 C ATOM 0 H ILE A 61 -6.371 7.169 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.144 8.116 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.996 7.631 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.223 6.608 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.586 8.015 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.929 5.175 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.824 5.936 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.165 5.349 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.003 6.097 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.694 6.579 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.326 5.150 1.459 1.00 0.00 H new ATOM 990 N ASP A 62 -8.691 10.311 -0.626 1.00 0.00 N ATOM 991 CA ASP A 62 -8.386 11.683 -0.272 1.00 0.00 C ATOM 992 C ASP A 62 -7.941 11.804 1.175 1.00 0.00 C ATOM 993 O ASP A 62 -8.762 11.896 2.089 1.00 0.00 O ATOM 994 CB ASP A 62 -9.582 12.590 -0.541 1.00 0.00 C ATOM 995 CG ASP A 62 -9.716 12.932 -2.011 1.00 0.00 C ATOM 996 OD1 ASP A 62 -8.743 13.468 -2.587 1.00 0.00 O ATOM 997 OD2 ASP A 62 -10.784 12.667 -2.592 1.00 0.00 O ATOM 0 H ASP A 62 -9.675 10.057 -0.544 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.556 12.005 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.493 12.100 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.478 13.508 0.037 1.00 0.00 H new ATOM 1002 N ILE A 63 -6.631 11.766 1.369 1.00 0.00 N ATOM 1003 CA ILE A 63 -6.031 11.990 2.674 1.00 0.00 C ATOM 1004 C ILE A 63 -4.848 12.936 2.533 1.00 0.00 C ATOM 1005 O ILE A 63 -4.468 13.297 1.418 1.00 0.00 O ATOM 1006 CB ILE A 63 -5.548 10.678 3.339 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -4.559 9.946 2.426 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -6.730 9.783 3.679 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -4.001 8.676 3.030 1.00 0.00 C ATOM 0 H ILE A 63 -5.956 11.579 0.627 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.802 12.422 3.312 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.035 10.931 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.056 9.704 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.734 10.617 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.370 8.866 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.394 10.304 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.274 9.537 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.309 8.212 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.475 8.913 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.817 7.986 3.244 1.00 0.00 H new ATOM 1021 N GLN A 64 -4.278 13.343 3.653 1.00 0.00 N ATOM 1022 CA GLN A 64 -3.125 14.218 3.632 1.00 0.00 C ATOM 1023 C GLN A 64 -1.951 13.574 4.357 1.00 0.00 C ATOM 1024 O GLN A 64 -2.099 12.517 4.972 1.00 0.00 O ATOM 1025 CB GLN A 64 -3.481 15.572 4.239 1.00 0.00 C ATOM 1026 CG GLN A 64 -4.473 16.353 3.391 1.00 0.00 C ATOM 1027 CD GLN A 64 -4.803 17.718 3.960 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -4.784 17.925 5.171 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -5.114 18.659 3.080 1.00 0.00 N ATOM 0 H GLN A 64 -4.596 13.081 4.586 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.824 14.381 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.900 15.421 5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.572 16.161 4.362 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.066 16.474 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.392 15.775 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.117 18.444 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.350 19.598 3.400 1.00 0.00 H new ATOM 1038 N LYS A 65 -0.791 14.215 4.267 1.00 0.00 N ATOM 1039 CA LYS A 65 0.450 13.675 4.810 1.00 0.00 C ATOM 1040 C LYS A 65 0.317 13.380 6.302 1.00 0.00 C ATOM 1041 O LYS A 65 -0.028 14.262 7.091 1.00 0.00 O ATOM 1042 CB LYS A 65 1.589 14.670 4.568 1.00 0.00 C ATOM 1043 CG LYS A 65 2.976 14.104 4.822 1.00 0.00 C ATOM 1044 CD LYS A 65 4.049 15.149 4.557 1.00 0.00 C ATOM 1045 CE LYS A 65 5.446 14.549 4.574 1.00 0.00 C ATOM 1046 NZ LYS A 65 5.804 13.985 5.901 1.00 0.00 N ATOM 0 H LYS A 65 -0.684 15.123 3.816 1.00 0.00 H new ATOM 0 HA LYS A 65 0.671 12.736 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.536 15.022 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.440 15.538 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.048 13.757 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.142 13.237 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.868 15.617 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.983 15.935 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.511 13.765 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.171 15.316 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.476 13.201 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.241 14.725 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.946 13.634 6.372 1.00 0.00 H new ATOM 1060 N GLY A 66 0.578 12.135 6.675 1.00 0.00 N ATOM 1061 CA GLY A 66 0.497 11.741 8.068 1.00 0.00 C ATOM 1062 C GLY A 66 -0.756 10.945 8.369 1.00 0.00 C ATOM 1063 O GLY A 66 -1.456 11.215 9.346 1.00 0.00 O ATOM 0 H GLY A 66 0.846 11.387 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.373 11.146 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.519 12.631 8.697 1.00 0.00 H new ATOM 1067 N ALA A 67 -1.045 9.959 7.532 1.00 0.00 N ATOM 1068 CA ALA A 67 -2.234 9.134 7.709 1.00 0.00 C ATOM 1069 C ALA A 67 -1.901 7.846 8.455 1.00 0.00 C ATOM 1070 O ALA A 67 -0.927 7.167 8.133 1.00 0.00 O ATOM 1071 CB ALA A 67 -2.859 8.819 6.359 1.00 0.00 C ATOM 0 H ALA A 67 -0.474 9.710 6.724 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.952 9.694 8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.746 8.202 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.140 9.748 5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.140 8.281 5.742 1.00 0.00 H new ATOM 1077 N SER A 68 -2.708 7.519 9.460 1.00 0.00 N ATOM 1078 CA SER A 68 -2.510 6.304 10.244 1.00 0.00 C ATOM 1079 C SER A 68 -3.334 5.147 9.673 1.00 0.00 C ATOM 1080 O SER A 68 -4.161 5.352 8.779 1.00 0.00 O ATOM 1081 CB SER A 68 -2.905 6.565 11.700 1.00 0.00 C ATOM 1082 OG SER A 68 -2.274 7.733 12.200 1.00 0.00 O ATOM 0 H SER A 68 -3.508 8.081 9.751 1.00 0.00 H new ATOM 0 HA SER A 68 -1.457 6.025 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.987 6.674 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.629 5.708 12.314 1.00 0.00 H new ATOM 0 HG SER A 68 -2.544 7.878 13.131 1.00 0.00 H new ATOM 1088 N ASP A 69 -3.105 3.940 10.198 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.834 2.738 9.773 1.00 0.00 C ATOM 1090 C ASP A 69 -5.339 2.943 9.878 1.00 0.00 C ATOM 1091 O ASP A 69 -6.074 2.703 8.923 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.410 1.537 10.633 1.00 0.00 C ATOM 1093 CG ASP A 69 -4.310 0.321 10.452 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -4.078 -0.463 9.507 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -5.240 0.139 11.273 1.00 0.00 O ATOM 0 H ASP A 69 -2.412 3.767 10.927 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.588 2.543 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.385 1.263 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.414 1.831 11.683 1.00 0.00 H new ATOM 1100 N GLU A 70 -5.780 3.409 11.041 1.00 0.00 N ATOM 1101 CA GLU A 70 -7.193 3.655 11.295 1.00 0.00 C ATOM 1102 C GLU A 70 -7.760 4.644 10.285 1.00 0.00 C ATOM 1103 O GLU A 70 -8.847 4.445 9.741 1.00 0.00 O ATOM 1104 CB GLU A 70 -7.370 4.207 12.705 1.00 0.00 C ATOM 1105 CG GLU A 70 -8.809 4.208 13.188 1.00 0.00 C ATOM 1106 CD GLU A 70 -8.933 4.695 14.614 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -8.984 5.924 14.821 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -8.968 3.851 15.535 1.00 0.00 O ATOM 0 H GLU A 70 -5.171 3.626 11.830 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.732 2.713 11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.766 3.617 13.394 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.986 5.226 12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.409 4.843 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.216 3.200 13.114 1.00 0.00 H new ATOM 1115 N GLU A 71 -7.008 5.707 10.049 1.00 0.00 N ATOM 1116 CA GLU A 71 -7.401 6.737 9.093 1.00 0.00 C ATOM 1117 C GLU A 71 -7.597 6.134 7.701 1.00 0.00 C ATOM 1118 O GLU A 71 -8.670 6.253 7.114 1.00 0.00 O ATOM 1119 CB GLU A 71 -6.335 7.836 9.038 1.00 0.00 C ATOM 1120 CG GLU A 71 -6.705 9.018 8.154 1.00 0.00 C ATOM 1121 CD GLU A 71 -7.761 9.911 8.774 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -8.907 9.451 8.959 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -7.449 11.084 9.072 1.00 0.00 O ATOM 0 H GLU A 71 -6.115 5.882 10.509 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.346 7.169 9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.149 8.197 10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.402 7.404 8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.811 9.608 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.067 8.648 7.195 1.00 0.00 H new ATOM 1130 N VAL A 72 -6.562 5.465 7.194 1.00 0.00 N ATOM 1131 CA VAL A 72 -6.611 4.853 5.867 1.00 0.00 C ATOM 1132 C VAL A 72 -7.732 3.821 5.792 1.00 0.00 C ATOM 1133 O VAL A 72 -8.438 3.720 4.788 1.00 0.00 O ATOM 1134 CB VAL A 72 -5.265 4.179 5.508 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -5.333 3.507 4.145 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -4.138 5.196 5.542 1.00 0.00 C ATOM 0 H VAL A 72 -5.677 5.333 7.684 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.804 5.649 5.148 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.065 3.409 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.373 3.042 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.112 2.745 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.563 4.252 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.198 4.706 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.341 5.988 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.065 5.624 6.542 1.00 0.00 H new ATOM 1146 N LYS A 73 -7.892 3.076 6.876 1.00 0.00 N ATOM 1147 CA LYS A 73 -8.932 2.063 6.997 1.00 0.00 C ATOM 1148 C LYS A 73 -10.314 2.671 6.778 1.00 0.00 C ATOM 1149 O LYS A 73 -11.116 2.153 5.999 1.00 0.00 O ATOM 1150 CB LYS A 73 -8.853 1.446 8.391 1.00 0.00 C ATOM 1151 CG LYS A 73 -9.768 0.257 8.625 1.00 0.00 C ATOM 1152 CD LYS A 73 -9.715 -0.176 10.084 1.00 0.00 C ATOM 1153 CE LYS A 73 -8.277 -0.328 10.560 1.00 0.00 C ATOM 1154 NZ LYS A 73 -8.189 -0.600 12.016 1.00 0.00 N ATOM 0 H LYS A 73 -7.300 3.158 7.703 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.777 1.298 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.825 1.135 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.089 2.216 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.791 0.519 8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.470 -0.571 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.230 0.558 10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.243 -1.122 10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.800 -1.140 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.723 0.582 10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.201 -0.796 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.527 0.229 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.778 -1.424 12.251 1.00 0.00 H new ATOM 1168 N LYS A 74 -10.576 3.777 7.459 1.00 0.00 N ATOM 1169 CA LYS A 74 -11.880 4.426 7.409 1.00 0.00 C ATOM 1170 C LYS A 74 -12.086 5.115 6.064 1.00 0.00 C ATOM 1171 O LYS A 74 -13.192 5.133 5.530 1.00 0.00 O ATOM 1172 CB LYS A 74 -11.997 5.432 8.558 1.00 0.00 C ATOM 1173 CG LYS A 74 -13.426 5.673 9.041 1.00 0.00 C ATOM 1174 CD LYS A 74 -14.179 6.650 8.150 1.00 0.00 C ATOM 1175 CE LYS A 74 -15.611 6.847 8.629 1.00 0.00 C ATOM 1176 NZ LYS A 74 -16.485 5.692 8.284 1.00 0.00 N ATOM 0 H LYS A 74 -9.897 4.248 8.058 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.658 3.671 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.397 5.079 9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.569 6.382 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.962 4.724 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.403 6.058 10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.662 7.609 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.184 6.280 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.614 6.992 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.019 7.755 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.309 5.679 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.807 5.783 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.950 4.807 8.393 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.021 5.679 5.519 1.00 0.00 N ATOM 1191 CA LYS A 75 -11.092 6.313 4.204 1.00 0.00 C ATOM 1192 C LYS A 75 -11.378 5.275 3.122 1.00 0.00 C ATOM 1193 O LYS A 75 -12.234 5.481 2.261 1.00 0.00 O ATOM 1194 CB LYS A 75 -9.792 7.052 3.890 1.00 0.00 C ATOM 1195 CG LYS A 75 -9.443 8.131 4.900 1.00 0.00 C ATOM 1196 CD LYS A 75 -10.527 9.187 5.002 1.00 0.00 C ATOM 1197 CE LYS A 75 -10.161 10.251 6.023 1.00 0.00 C ATOM 1198 NZ LYS A 75 -11.225 11.276 6.156 1.00 0.00 N ATOM 0 H LYS A 75 -10.101 5.713 5.959 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.908 7.035 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.976 6.331 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.871 7.504 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.288 7.675 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.503 8.603 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.680 9.651 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.470 8.718 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.986 9.781 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.228 10.732 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.938 11.984 6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.375 11.742 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.109 10.821 6.461 1.00 0.00 H new ATOM 1212 N LEU A 76 -10.664 4.155 3.182 1.00 0.00 N ATOM 1213 CA LEU A 76 -10.866 3.056 2.241 1.00 0.00 C ATOM 1214 C LEU A 76 -12.276 2.489 2.393 1.00 0.00 C ATOM 1215 O LEU A 76 -12.869 1.987 1.437 1.00 0.00 O ATOM 1216 CB LEU A 76 -9.827 1.957 2.487 1.00 0.00 C ATOM 1217 CG LEU A 76 -9.841 0.804 1.482 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -9.407 1.286 0.105 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -8.941 -0.325 1.962 1.00 0.00 C ATOM 0 H LEU A 76 -9.936 3.983 3.876 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.746 3.434 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.836 2.410 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.985 1.548 3.485 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.860 0.426 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.424 0.451 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.089 2.063 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.396 1.690 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.960 -1.139 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.920 0.043 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.297 -0.689 2.926 1.00 0.00 H new ATOM 1231 N GLU A 77 -12.789 2.577 3.615 1.00 0.00 N ATOM 1232 CA GLU A 77 -14.146 2.162 3.938 1.00 0.00 C ATOM 1233 C GLU A 77 -15.158 3.025 3.188 1.00 0.00 C ATOM 1234 O GLU A 77 -16.085 2.513 2.560 1.00 0.00 O ATOM 1235 CB GLU A 77 -14.346 2.292 5.448 1.00 0.00 C ATOM 1236 CG GLU A 77 -15.696 1.837 5.957 1.00 0.00 C ATOM 1237 CD GLU A 77 -15.805 1.975 7.464 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -15.983 3.113 7.953 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -15.695 0.951 8.167 1.00 0.00 O ATOM 0 H GLU A 77 -12.270 2.941 4.414 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.300 1.127 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.571 1.715 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.201 3.335 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.481 2.424 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.860 0.797 5.674 1.00 0.00 H new ATOM 1246 N GLU A 78 -14.953 4.337 3.253 1.00 0.00 N ATOM 1247 CA GLU A 78 -15.813 5.298 2.568 1.00 0.00 C ATOM 1248 C GLU A 78 -15.792 5.079 1.057 1.00 0.00 C ATOM 1249 O GLU A 78 -16.842 5.008 0.418 1.00 0.00 O ATOM 1250 CB GLU A 78 -15.375 6.730 2.885 1.00 0.00 C ATOM 1251 CG GLU A 78 -15.514 7.112 4.350 1.00 0.00 C ATOM 1252 CD GLU A 78 -16.947 7.052 4.841 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -17.803 7.770 4.280 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -17.222 6.298 5.794 1.00 0.00 O ATOM 0 H GLU A 78 -14.190 4.763 3.779 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.831 5.145 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.335 6.855 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.965 7.421 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.900 6.444 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.127 8.121 4.496 1.00 0.00 H new ATOM 1261 N SER A 79 -14.595 4.975 0.491 1.00 0.00 N ATOM 1262 CA SER A 79 -14.439 4.750 -0.935 1.00 0.00 C ATOM 1263 C SER A 79 -14.959 3.366 -1.329 1.00 0.00 C ATOM 1264 O SER A 79 -15.386 3.151 -2.467 1.00 0.00 O ATOM 1265 CB SER A 79 -12.965 4.884 -1.311 1.00 0.00 C ATOM 1266 OG SER A 79 -12.437 6.123 -0.868 1.00 0.00 O ATOM 0 H SER A 79 -13.716 5.044 1.004 1.00 0.00 H new ATOM 0 HA SER A 79 -15.023 5.496 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.398 4.065 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.853 4.803 -2.392 1.00 0.00 H new ATOM 0 HG SER A 79 -12.281 6.085 0.099 1.00 0.00 H new ATOM 1272 N ASN A 80 -14.914 2.442 -0.371 1.00 0.00 N ATOM 1273 CA ASN A 80 -15.395 1.076 -0.558 1.00 0.00 C ATOM 1274 C ASN A 80 -14.539 0.335 -1.588 1.00 0.00 C ATOM 1275 O ASN A 80 -15.042 -0.223 -2.561 1.00 0.00 O ATOM 1276 CB ASN A 80 -16.874 1.073 -0.962 1.00 0.00 C ATOM 1277 CG ASN A 80 -17.529 -0.283 -0.778 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -17.537 -1.111 -1.686 1.00 0.00 O ATOM 1279 ND2 ASN A 80 -18.082 -0.521 0.401 1.00 0.00 N ATOM 0 H ASN A 80 -14.541 2.622 0.561 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.306 0.548 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.410 1.814 -0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.962 1.376 -2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.535 -1.417 0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.055 0.192 1.130 1.00 0.00 H new ATOM 1286 N LEU A 81 -13.232 0.346 -1.365 1.00 0.00 N ATOM 1287 CA LEU A 81 -12.298 -0.385 -2.217 1.00 0.00 C ATOM 1288 C LEU A 81 -11.584 -1.454 -1.404 1.00 0.00 C ATOM 1289 O LEU A 81 -10.504 -1.916 -1.773 1.00 0.00 O ATOM 1290 CB LEU A 81 -11.271 0.564 -2.851 1.00 0.00 C ATOM 1291 CG LEU A 81 -11.653 1.147 -4.218 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -11.955 0.034 -5.213 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -12.838 2.092 -4.105 1.00 0.00 C ATOM 0 H LEU A 81 -12.791 0.855 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.865 -0.858 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.094 1.390 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.327 0.029 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.800 1.719 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.224 0.469 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.074 -0.596 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.784 -0.569 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.083 2.488 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.697 1.552 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.585 2.915 -3.436 1.00 0.00 H new ATOM 1305 N THR A 82 -12.210 -1.851 -0.305 1.00 0.00 N ATOM 1306 CA THR A 82 -11.643 -2.833 0.607 1.00 0.00 C ATOM 1307 C THR A 82 -11.274 -4.132 -0.114 1.00 0.00 C ATOM 1308 O THR A 82 -10.223 -4.720 0.154 1.00 0.00 O ATOM 1309 CB THR A 82 -12.637 -3.141 1.744 1.00 0.00 C ATOM 1310 OG1 THR A 82 -13.186 -1.914 2.247 1.00 0.00 O ATOM 1311 CG2 THR A 82 -11.954 -3.894 2.875 1.00 0.00 C ATOM 0 H THR A 82 -13.125 -1.501 -0.021 1.00 0.00 H new ATOM 0 HA THR A 82 -10.731 -2.404 1.021 1.00 0.00 H new ATOM 0 HB THR A 82 -13.434 -3.768 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.819 -2.111 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.677 -4.099 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.554 -4.834 2.496 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.141 -3.289 3.276 1.00 0.00 H new ATOM 1319 N GLU A 83 -12.126 -4.553 -1.051 1.00 0.00 N ATOM 1320 CA GLU A 83 -11.917 -5.793 -1.781 1.00 0.00 C ATOM 1321 C GLU A 83 -10.593 -5.773 -2.541 1.00 0.00 C ATOM 1322 O GLU A 83 -9.843 -6.745 -2.520 1.00 0.00 O ATOM 1323 CB GLU A 83 -13.066 -6.022 -2.758 1.00 0.00 C ATOM 1324 CG GLU A 83 -14.437 -6.073 -2.103 1.00 0.00 C ATOM 1325 CD GLU A 83 -15.520 -6.502 -3.070 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -15.825 -5.735 -4.007 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -16.071 -7.610 -2.902 1.00 0.00 O ATOM 0 H GLU A 83 -12.970 -4.046 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.883 -6.607 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.060 -5.226 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.895 -6.957 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.410 -6.765 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.681 -5.090 -1.700 1.00 0.00 H new ATOM 1334 N TYR A 84 -10.307 -4.651 -3.195 1.00 0.00 N ATOM 1335 CA TYR A 84 -9.097 -4.522 -3.998 1.00 0.00 C ATOM 1336 C TYR A 84 -7.849 -4.595 -3.123 1.00 0.00 C ATOM 1337 O TYR A 84 -6.817 -5.122 -3.538 1.00 0.00 O ATOM 1338 CB TYR A 84 -9.110 -3.202 -4.785 1.00 0.00 C ATOM 1339 CG TYR A 84 -7.823 -2.922 -5.533 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -7.506 -3.611 -6.697 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -6.919 -1.978 -5.061 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -6.327 -3.364 -7.373 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -5.738 -1.725 -5.731 1.00 0.00 C ATOM 1344 CZ TYR A 84 -5.445 -2.421 -6.884 1.00 0.00 C ATOM 1345 OH TYR A 84 -4.263 -2.178 -7.546 1.00 0.00 O ATOM 0 H TYR A 84 -10.897 -3.819 -3.184 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.073 -5.353 -4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.935 -3.222 -5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.304 -2.381 -4.095 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.193 -4.352 -7.080 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.144 -1.433 -4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.096 -3.905 -8.279 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.048 -0.985 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.384 -2.345 -8.504 1.00 0.00 H new ATOM 1355 N MET A 85 -7.947 -4.074 -1.913 1.00 0.00 N ATOM 1356 CA MET A 85 -6.800 -4.020 -1.023 1.00 0.00 C ATOM 1357 C MET A 85 -6.582 -5.365 -0.334 1.00 0.00 C ATOM 1358 O MET A 85 -5.480 -5.918 -0.378 1.00 0.00 O ATOM 1359 CB MET A 85 -6.983 -2.915 0.021 1.00 0.00 C ATOM 1360 CG MET A 85 -5.739 -2.065 0.237 1.00 0.00 C ATOM 1361 SD MET A 85 -4.278 -3.040 0.643 1.00 0.00 S ATOM 1362 CE MET A 85 -3.050 -1.750 0.822 1.00 0.00 C ATOM 0 H MET A 85 -8.806 -3.683 -1.525 1.00 0.00 H new ATOM 0 HA MET A 85 -5.918 -3.794 -1.622 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.805 -2.269 -0.287 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.272 -3.368 0.969 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.542 -1.484 -0.664 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.928 -1.353 1.040 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.268 -2.084 1.504 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.612 -1.527 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.521 -0.852 1.222 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.640 -5.896 0.275 1.00 0.00 N ATOM 1373 CA LYS A 86 -7.538 -7.131 1.047 1.00 0.00 C ATOM 1374 C LYS A 86 -7.211 -8.322 0.152 1.00 0.00 C ATOM 1375 O LYS A 86 -6.402 -9.180 0.518 1.00 0.00 O ATOM 1376 CB LYS A 86 -8.832 -7.413 1.819 1.00 0.00 C ATOM 1377 CG LYS A 86 -8.732 -8.634 2.730 1.00 0.00 C ATOM 1378 CD LYS A 86 -10.024 -8.904 3.489 1.00 0.00 C ATOM 1379 CE LYS A 86 -11.156 -9.324 2.561 1.00 0.00 C ATOM 1380 NZ LYS A 86 -12.360 -9.757 3.320 1.00 0.00 N ATOM 0 H LYS A 86 -8.576 -5.491 0.249 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.724 -6.993 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.088 -6.540 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.646 -7.562 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.476 -9.509 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.920 -8.486 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.853 -9.686 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.317 -8.008 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.418 -8.492 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.818 -10.138 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.109 -10.035 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.116 -10.567 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.698 -8.972 3.912 1.00 0.00 H new ATOM 1394 N GLU A 87 -7.839 -8.385 -1.016 1.00 0.00 N ATOM 1395 CA GLU A 87 -7.576 -9.477 -1.938 1.00 0.00 C ATOM 1396 C GLU A 87 -6.191 -9.318 -2.542 1.00 0.00 C ATOM 1397 O GLU A 87 -5.830 -8.256 -3.051 1.00 0.00 O ATOM 1398 CB GLU A 87 -8.641 -9.550 -3.032 1.00 0.00 C ATOM 1399 CG GLU A 87 -8.452 -10.727 -3.978 1.00 0.00 C ATOM 1400 CD GLU A 87 -9.677 -11.017 -4.818 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -10.571 -11.746 -4.335 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -9.744 -10.539 -5.971 1.00 0.00 O ATOM 0 H GLU A 87 -8.524 -7.703 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.615 -10.414 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.625 -9.620 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.625 -8.624 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.607 -10.524 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.198 -11.614 -3.398 1.00 0.00 H new ATOM 1409 N LYS A 88 -5.405 -10.372 -2.460 1.00 0.00 N ATOM 1410 CA LYS A 88 -4.042 -10.337 -2.958 1.00 0.00 C ATOM 1411 C LYS A 88 -3.976 -10.877 -4.383 1.00 0.00 C ATOM 1412 O LYS A 88 -3.854 -12.080 -4.610 1.00 0.00 O ATOM 1413 CB LYS A 88 -3.091 -11.084 -2.007 1.00 0.00 C ATOM 1414 CG LYS A 88 -3.568 -12.470 -1.591 1.00 0.00 C ATOM 1415 CD LYS A 88 -3.235 -12.759 -0.134 1.00 0.00 C ATOM 1416 CE LYS A 88 -3.944 -11.784 0.797 1.00 0.00 C ATOM 1417 NZ LYS A 88 -3.737 -12.108 2.233 1.00 0.00 N ATOM 0 H LYS A 88 -5.685 -11.264 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.709 -9.300 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.118 -11.179 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.946 -10.480 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.645 -12.546 -1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.103 -13.223 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.527 -13.780 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.158 -12.691 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.584 -10.774 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.012 -11.790 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.240 -11.414 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.104 -13.061 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.721 -12.076 2.453 1.00 0.00 H new ATOM 1431 N ILE A 89 -4.098 -9.966 -5.337 1.00 0.00 N ATOM 1432 CA ILE A 89 -4.051 -10.317 -6.747 1.00 0.00 C ATOM 1433 C ILE A 89 -2.606 -10.335 -7.207 1.00 0.00 C ATOM 1434 O ILE A 89 -1.852 -9.406 -6.927 1.00 0.00 O ATOM 1435 CB ILE A 89 -4.841 -9.324 -7.635 1.00 0.00 C ATOM 1436 CG1 ILE A 89 -6.282 -9.143 -7.139 1.00 0.00 C ATOM 1437 CG2 ILE A 89 -4.846 -9.782 -9.085 1.00 0.00 C ATOM 1438 CD1 ILE A 89 -6.441 -8.048 -6.104 1.00 0.00 C ATOM 0 H ILE A 89 -4.231 -8.971 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.514 -11.298 -6.852 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.336 -8.360 -7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.924 -8.920 -7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.631 -10.084 -6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.407 -9.069 -9.690 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.821 -9.842 -9.451 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.314 -10.764 -9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.486 -7.981 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.827 -8.278 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.124 -7.096 -6.530 1.00 0.00 H new ATOM 1450 N LYS A 90 -2.227 -11.375 -7.918 1.00 0.00 N ATOM 1451 CA LYS A 90 -0.840 -11.558 -8.309 1.00 0.00 C ATOM 1452 C LYS A 90 -0.749 -12.165 -9.699 1.00 0.00 C ATOM 1453 O LYS A 90 -1.751 -12.628 -10.251 1.00 0.00 O ATOM 1454 CB LYS A 90 -0.122 -12.442 -7.288 1.00 0.00 C ATOM 1455 CG LYS A 90 -0.746 -13.820 -7.124 1.00 0.00 C ATOM 1456 CD LYS A 90 -0.006 -14.636 -6.084 1.00 0.00 C ATOM 1457 CE LYS A 90 -0.570 -16.038 -5.968 1.00 0.00 C ATOM 1458 NZ LYS A 90 0.235 -16.878 -5.043 1.00 0.00 N ATOM 0 H LYS A 90 -2.858 -12.109 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.353 -10.583 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.919 -12.558 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.119 -11.937 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.791 -13.716 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.732 -14.345 -8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.050 -14.689 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.069 -14.137 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.599 -15.988 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.595 -16.503 -6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.312 -17.721 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.114 -17.171 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.467 -16.330 -4.190 1.00 0.00 H new ATOM 1472 N ILE A 91 0.449 -12.151 -10.261 1.00 0.00 N ATOM 1473 CA ILE A 91 0.676 -12.690 -11.591 1.00 0.00 C ATOM 1474 C ILE A 91 1.719 -13.797 -11.553 1.00 0.00 C ATOM 1475 O ILE A 91 2.817 -13.610 -11.033 1.00 0.00 O ATOM 1476 CB ILE A 91 1.138 -11.590 -12.573 1.00 0.00 C ATOM 1477 CG1 ILE A 91 0.094 -10.470 -12.653 1.00 0.00 C ATOM 1478 CG2 ILE A 91 1.391 -12.184 -13.954 1.00 0.00 C ATOM 1479 CD1 ILE A 91 0.503 -9.324 -13.551 1.00 0.00 C ATOM 0 H ILE A 91 1.283 -11.770 -9.814 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.273 -13.097 -11.940 1.00 0.00 H new ATOM 0 HB ILE A 91 2.071 -11.165 -12.203 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.846 -10.886 -13.015 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.092 -10.086 -11.650 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.716 -11.397 -14.635 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.166 -12.947 -13.885 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.472 -12.633 -14.331 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.284 -8.569 -13.559 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.427 -8.881 -13.178 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.661 -9.694 -14.564 1.00 0.00 H new ATOM 1491 N ARG A 92 1.360 -14.952 -12.091 1.00 0.00 N ATOM 1492 CA ARG A 92 2.280 -16.074 -12.197 1.00 0.00 C ATOM 1493 C ARG A 92 1.927 -16.926 -13.407 1.00 0.00 C ATOM 1494 O ARG A 92 0.758 -17.046 -13.769 1.00 0.00 O ATOM 1495 CB ARG A 92 2.251 -16.935 -10.931 1.00 0.00 C ATOM 1496 CG ARG A 92 0.854 -17.367 -10.514 1.00 0.00 C ATOM 1497 CD ARG A 92 0.887 -18.597 -9.625 1.00 0.00 C ATOM 1498 NE ARG A 92 1.785 -18.439 -8.486 1.00 0.00 N ATOM 1499 CZ ARG A 92 2.487 -19.435 -7.955 1.00 0.00 C ATOM 1500 NH1 ARG A 92 2.375 -20.669 -8.436 1.00 0.00 N ATOM 1501 NH2 ARG A 92 3.296 -19.197 -6.933 1.00 0.00 N ATOM 0 H ARG A 92 0.429 -15.138 -12.464 1.00 0.00 H new ATOM 0 HA ARG A 92 3.287 -15.674 -12.316 1.00 0.00 H new ATOM 0 HB2 ARG A 92 2.863 -17.823 -11.093 1.00 0.00 H new ATOM 0 HB3 ARG A 92 2.708 -16.378 -10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.363 -16.550 -9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.258 -17.576 -11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.120 -18.807 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.201 -19.459 -10.214 1.00 0.00 H new ATOM 0 HE ARG A 92 1.880 -17.511 -8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.747 -20.857 -9.218 1.00 0.00 H new ATOM 0 HH12 ARG A 92 2.917 -21.428 -8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.378 -18.252 -6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 92 3.837 -19.958 -6.522 1.00 0.00 H new ATOM 1515 N MET A 93 2.937 -17.509 -14.033 1.00 0.00 N ATOM 1516 CA MET A 93 2.716 -18.378 -15.179 1.00 0.00 C ATOM 1517 C MET A 93 3.548 -19.650 -15.052 1.00 0.00 C ATOM 1518 O MET A 93 4.763 -19.593 -14.844 1.00 0.00 O ATOM 1519 CB MET A 93 3.049 -17.651 -16.493 1.00 0.00 C ATOM 1520 CG MET A 93 4.517 -17.267 -16.645 1.00 0.00 C ATOM 1521 SD MET A 93 4.881 -16.481 -18.226 1.00 0.00 S ATOM 1522 CE MET A 93 6.664 -16.336 -18.124 1.00 0.00 C ATOM 0 H MET A 93 3.916 -17.397 -13.768 1.00 0.00 H new ATOM 0 HA MET A 93 1.661 -18.650 -15.198 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.764 -18.289 -17.330 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.441 -16.749 -16.559 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.795 -16.590 -15.837 1.00 0.00 H new ATOM 0 HG3 MET A 93 5.133 -18.160 -16.539 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.043 -15.866 -19.032 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.931 -15.726 -17.261 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.104 -17.327 -18.017 1.00 0.00 H new ATOM 1532 N PRO A 94 2.899 -20.818 -15.129 1.00 0.00 N ATOM 1533 CA PRO A 94 3.587 -22.108 -15.133 1.00 0.00 C ATOM 1534 C PRO A 94 4.256 -22.377 -16.477 1.00 0.00 C ATOM 1535 O PRO A 94 3.609 -22.328 -17.524 1.00 0.00 O ATOM 1536 CB PRO A 94 2.465 -23.128 -14.872 1.00 0.00 C ATOM 1537 CG PRO A 94 1.250 -22.323 -14.545 1.00 0.00 C ATOM 1538 CD PRO A 94 1.445 -20.989 -15.203 1.00 0.00 C ATOM 0 HA PRO A 94 4.384 -22.153 -14.391 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.295 -23.754 -15.748 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.726 -23.794 -14.049 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.348 -22.811 -14.914 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.134 -22.213 -13.467 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.086 -20.986 -16.232 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.914 -20.195 -14.678 1.00 0.00 H new ATOM 1546 N THR A 95 5.549 -22.645 -16.449 1.00 0.00 N ATOM 1547 CA THR A 95 6.299 -22.873 -17.669 1.00 0.00 C ATOM 1548 C THR A 95 6.764 -24.319 -17.764 1.00 0.00 C ATOM 1549 O THR A 95 7.430 -24.834 -16.864 1.00 0.00 O ATOM 1550 CB THR A 95 7.510 -21.926 -17.766 1.00 0.00 C ATOM 1551 OG1 THR A 95 8.238 -21.924 -16.529 1.00 0.00 O ATOM 1552 CG2 THR A 95 7.066 -20.508 -18.100 1.00 0.00 C ATOM 0 H THR A 95 6.101 -22.710 -15.594 1.00 0.00 H new ATOM 0 HA THR A 95 5.629 -22.665 -18.504 1.00 0.00 H new ATOM 0 HB THR A 95 8.157 -22.286 -18.566 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.180 -22.810 -16.114 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.939 -19.859 -18.163 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.543 -20.506 -19.056 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.398 -20.143 -17.320 1.00 0.00 H new ATOM 1560 N LEU A 96 6.392 -24.973 -18.849 1.00 0.00 N ATOM 1561 CA LEU A 96 6.775 -26.352 -19.084 1.00 0.00 C ATOM 1562 C LEU A 96 7.946 -26.410 -20.051 1.00 0.00 C ATOM 1563 O LEU A 96 7.908 -25.693 -21.074 1.00 0.00 O ATOM 1564 CB LEU A 96 5.592 -27.181 -19.614 1.00 0.00 C ATOM 1565 CG LEU A 96 4.921 -26.666 -20.896 1.00 0.00 C ATOM 1566 CD1 LEU A 96 4.193 -27.800 -21.599 1.00 0.00 C ATOM 1567 CD2 LEU A 96 3.941 -25.542 -20.582 1.00 0.00 C ATOM 1568 OXT LEU A 96 8.903 -27.165 -19.786 1.00 0.00 O ATOM 0 H LEU A 96 5.819 -24.566 -19.588 1.00 0.00 H new ATOM 0 HA LEU A 96 7.080 -26.787 -18.132 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.940 -28.198 -19.795 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.836 -27.238 -18.831 1.00 0.00 H new ATOM 0 HG LEU A 96 5.699 -26.276 -21.552 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.721 -27.422 -22.506 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.905 -28.583 -21.859 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.430 -28.208 -20.936 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.479 -25.194 -21.506 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.169 -25.910 -19.906 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.473 -24.717 -20.109 1.00 0.00 H new TER 1580 LEU A 96