USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 765 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 82 TYR OH : rot 180:sc= -0.0971 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -153:sc= 0.0539 (180deg=0) USER MOD Set 2.1: A 32 TYR OH : rot 165:sc= 0.26 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 142:sc= 0.278 (180deg=0) USER MOD Set 3.1: A 15 SER OG : rot 133:sc= -2.7! USER MOD Set 3.2: A 34 THR OG1 : rot 140:sc= 0.738 USER MOD Set 4.1: A 7 LYS NZ :NH3+ -161:sc=-0.000385 (180deg=-0.335) USER MOD Set 4.2: A 77 THR OG1 : rot 38:sc= -0.172 USER MOD Set 5.1: A 1 MET CE :methyl 180:sc= -0.0404 (180deg=-0.0404) USER MOD Set 5.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 127:sc= 0.0614 (180deg=-0.452) USER MOD Single : A 4 LYS NZ :NH3+ -152:sc= -0.317 (180deg=-0.851) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -2.36! C(o=-4.1!,f=-2.4!) USER MOD Single : A 23 GLN : amide:sc= -1.13 X(o=-1.1,f=-1) USER MOD Single : A 24 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-4.2!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 30 SER OG : rot 88:sc= -0.781 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.086 K(o=0.086,f=-1) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.201) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.441 F(o=-1.1,f=-0.44) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-3.7!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 31:sc= 0.118 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -6.13! C(o=-6.6!,f=-6.1!) USER MOD Single : A 72 THR OG1 : rot 79:sc= 1.1 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.15) USER MOD Single : B 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 305 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.941 1.715 -4.887 1.00 1.83 N ATOM 2 CA MET A 1 -8.570 2.262 -6.222 1.00 1.38 C ATOM 3 C MET A 1 -7.143 2.816 -6.228 1.00 1.20 C ATOM 4 O MET A 1 -6.482 2.873 -5.188 1.00 1.07 O ATOM 5 CB MET A 1 -9.567 3.365 -6.590 1.00 1.81 C ATOM 6 CG MET A 1 -9.401 4.638 -5.775 1.00 2.04 C ATOM 7 SD MET A 1 -10.603 5.906 -6.213 1.00 2.69 S ATOM 8 CE MET A 1 -9.828 6.608 -7.667 1.00 3.17 C ATOM 0 H1 MET A 1 -9.833 2.147 -4.571 1.00 1.83 H new ATOM 0 H2 MET A 1 -9.060 0.684 -4.955 1.00 1.83 H new ATOM 0 H3 MET A 1 -8.189 1.932 -4.202 1.00 1.83 H new ATOM 0 HA MET A 1 -8.606 1.457 -6.956 1.00 1.38 H new ATOM 0 HB2 MET A 1 -9.456 3.604 -7.648 1.00 1.81 H new ATOM 0 HB3 MET A 1 -10.580 2.987 -6.454 1.00 1.81 H new ATOM 0 HG2 MET A 1 -9.498 4.401 -4.715 1.00 2.04 H new ATOM 0 HG3 MET A 1 -8.395 5.030 -5.923 1.00 2.04 H new ATOM 0 HE1 MET A 1 -10.452 7.411 -8.060 1.00 3.17 H new ATOM 0 HE2 MET A 1 -8.849 7.006 -7.401 1.00 3.17 H new ATOM 0 HE3 MET A 1 -9.711 5.835 -8.426 1.00 3.17 H new ATOM 20 N GLU A 2 -6.681 3.227 -7.408 1.00 1.25 N ATOM 21 CA GLU A 2 -5.337 3.782 -7.559 1.00 1.15 C ATOM 22 C GLU A 2 -5.280 5.233 -7.081 1.00 1.12 C ATOM 23 O GLU A 2 -6.302 5.922 -7.035 1.00 1.17 O ATOM 24 CB GLU A 2 -4.880 3.688 -9.020 1.00 1.22 C ATOM 25 CG GLU A 2 -5.518 4.719 -9.944 1.00 1.74 C ATOM 26 CD GLU A 2 -6.810 4.225 -10.567 1.00 1.63 C ATOM 27 OE1 GLU A 2 -6.743 3.555 -11.619 1.00 1.88 O ATOM 28 OE2 GLU A 2 -7.888 4.506 -10.000 1.00 1.97 O ATOM 0 H GLU A 2 -7.218 3.186 -8.274 1.00 1.25 H new ATOM 0 HA GLU A 2 -4.661 3.194 -6.938 1.00 1.15 H new ATOM 0 HB2 GLU A 2 -3.797 3.804 -9.058 1.00 1.22 H new ATOM 0 HB3 GLU A 2 -5.107 2.690 -9.396 1.00 1.22 H new ATOM 0 HG2 GLU A 2 -5.716 5.632 -9.382 1.00 1.74 H new ATOM 0 HG3 GLU A 2 -4.814 4.978 -10.735 1.00 1.74 H new ATOM 35 N ILE A 3 -4.076 5.694 -6.737 1.00 1.09 N ATOM 36 CA ILE A 3 -3.863 7.061 -6.274 1.00 1.10 C ATOM 37 C ILE A 3 -2.569 7.611 -6.879 1.00 1.02 C ATOM 38 O ILE A 3 -1.570 6.889 -6.969 1.00 1.07 O ATOM 39 CB ILE A 3 -3.764 7.124 -4.731 1.00 1.18 C ATOM 40 CG1 ILE A 3 -5.089 6.711 -4.083 1.00 1.34 C ATOM 41 CG2 ILE A 3 -3.362 8.520 -4.276 1.00 1.22 C ATOM 42 CD1 ILE A 3 -4.921 5.798 -2.887 1.00 1.10 C ATOM 0 H ILE A 3 -3.226 5.131 -6.772 1.00 1.09 H new ATOM 0 HA ILE A 3 -4.716 7.661 -6.592 1.00 1.10 H new ATOM 0 HB ILE A 3 -2.994 6.421 -4.412 1.00 1.18 H new ATOM 0 HG12 ILE A 3 -5.627 7.607 -3.773 1.00 1.34 H new ATOM 0 HG13 ILE A 3 -5.707 6.210 -4.828 1.00 1.34 H new ATOM 0 HG21 ILE A 3 -3.298 8.544 -3.188 1.00 1.22 H new ATOM 0 HG22 ILE A 3 -2.392 8.776 -4.702 1.00 1.22 H new ATOM 0 HG23 ILE A 3 -4.108 9.241 -4.611 1.00 1.22 H new ATOM 0 HD11 ILE A 3 -5.901 5.547 -2.480 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -4.411 4.885 -3.195 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -4.330 6.304 -2.124 1.00 1.10 H new ATOM 54 N LYS A 4 -2.579 8.883 -7.287 1.00 0.98 N ATOM 55 CA LYS A 4 -1.387 9.495 -7.870 1.00 0.96 C ATOM 56 C LYS A 4 -0.708 10.425 -6.864 1.00 0.96 C ATOM 57 O LYS A 4 -1.039 11.608 -6.763 1.00 1.08 O ATOM 58 CB LYS A 4 -1.760 10.259 -9.148 1.00 1.07 C ATOM 59 CG LYS A 4 -0.624 10.380 -10.154 1.00 1.35 C ATOM 60 CD LYS A 4 -0.022 9.025 -10.495 1.00 1.59 C ATOM 61 CE LYS A 4 1.195 9.166 -11.396 1.00 2.29 C ATOM 62 NZ LYS A 4 2.311 8.278 -10.969 1.00 2.93 N ATOM 0 H LYS A 4 -3.389 9.500 -7.225 1.00 0.98 H new ATOM 0 HA LYS A 4 -0.681 8.706 -8.128 1.00 0.96 H new ATOM 0 HB2 LYS A 4 -2.602 9.758 -9.625 1.00 1.07 H new ATOM 0 HB3 LYS A 4 -2.097 11.259 -8.875 1.00 1.07 H new ATOM 0 HG2 LYS A 4 -0.994 10.852 -11.064 1.00 1.35 H new ATOM 0 HG3 LYS A 4 0.151 11.030 -9.750 1.00 1.35 H new ATOM 0 HD2 LYS A 4 0.262 8.510 -9.577 1.00 1.59 H new ATOM 0 HD3 LYS A 4 -0.772 8.407 -10.989 1.00 1.59 H new ATOM 0 HE2 LYS A 4 0.915 8.929 -12.423 1.00 2.29 H new ATOM 0 HE3 LYS A 4 1.533 10.202 -11.389 1.00 2.29 H new ATOM 0 HZ1 LYS A 4 3.218 8.701 -11.251 1.00 2.93 H new ATOM 0 HZ2 LYS A 4 2.289 8.165 -9.935 1.00 2.93 H new ATOM 0 HZ3 LYS A 4 2.207 7.347 -11.422 1.00 2.93 H new ATOM 76 N LEU A 5 0.222 9.853 -6.101 1.00 0.89 N ATOM 77 CA LEU A 5 0.938 10.599 -5.067 1.00 0.97 C ATOM 78 C LEU A 5 2.324 11.039 -5.531 1.00 0.88 C ATOM 79 O LEU A 5 3.100 10.242 -6.057 1.00 0.82 O ATOM 80 CB LEU A 5 1.050 9.762 -3.791 1.00 1.11 C ATOM 81 CG LEU A 5 -0.128 9.903 -2.821 1.00 1.42 C ATOM 82 CD1 LEU A 5 -0.108 8.788 -1.786 1.00 1.50 C ATOM 83 CD2 LEU A 5 -0.102 11.267 -2.142 1.00 2.09 C ATOM 0 H LEU A 5 0.498 8.874 -6.179 1.00 0.89 H new ATOM 0 HA LEU A 5 0.362 11.501 -4.859 1.00 0.97 H new ATOM 0 HB2 LEU A 5 1.149 8.713 -4.070 1.00 1.11 H new ATOM 0 HB3 LEU A 5 1.966 10.041 -3.270 1.00 1.11 H new ATOM 0 HG LEU A 5 -1.053 9.822 -3.392 1.00 1.42 H new ATOM 0 HD11 LEU A 5 -0.952 8.907 -1.107 1.00 1.50 H new ATOM 0 HD12 LEU A 5 -0.179 7.824 -2.289 1.00 1.50 H new ATOM 0 HD13 LEU A 5 0.822 8.834 -1.220 1.00 1.50 H new ATOM 0 HD21 LEU A 5 -0.946 11.349 -1.457 1.00 2.09 H new ATOM 0 HD22 LEU A 5 0.829 11.379 -1.586 1.00 2.09 H new ATOM 0 HD23 LEU A 5 -0.170 12.050 -2.897 1.00 2.09 H new ATOM 95 N ILE A 6 2.625 12.322 -5.323 1.00 0.95 N ATOM 96 CA ILE A 6 3.917 12.887 -5.707 1.00 0.90 C ATOM 97 C ILE A 6 4.924 12.754 -4.565 1.00 0.93 C ATOM 98 O ILE A 6 4.634 13.127 -3.425 1.00 1.06 O ATOM 99 CB ILE A 6 3.794 14.376 -6.114 1.00 1.04 C ATOM 100 CG1 ILE A 6 5.126 14.890 -6.672 1.00 1.29 C ATOM 101 CG2 ILE A 6 3.341 15.228 -4.932 1.00 1.21 C ATOM 102 CD1 ILE A 6 5.058 16.305 -7.209 1.00 1.94 C ATOM 0 H ILE A 6 1.988 12.990 -4.889 1.00 0.95 H new ATOM 0 HA ILE A 6 4.269 12.323 -6.571 1.00 0.90 H new ATOM 0 HB ILE A 6 3.038 14.455 -6.895 1.00 1.04 H new ATOM 0 HG12 ILE A 6 5.880 14.845 -5.886 1.00 1.29 H new ATOM 0 HG13 ILE A 6 5.457 14.224 -7.469 1.00 1.29 H new ATOM 0 HG21 ILE A 6 3.262 16.270 -5.243 1.00 1.21 H new ATOM 0 HG22 ILE A 6 2.369 14.879 -4.583 1.00 1.21 H new ATOM 0 HG23 ILE A 6 4.068 15.145 -4.124 1.00 1.21 H new ATOM 0 HD11 ILE A 6 6.038 16.598 -7.586 1.00 1.94 H new ATOM 0 HD12 ILE A 6 4.329 16.353 -8.018 1.00 1.94 H new ATOM 0 HD13 ILE A 6 4.759 16.983 -6.410 1.00 1.94 H new ATOM 114 N LYS A 7 6.102 12.210 -4.872 1.00 0.91 N ATOM 115 CA LYS A 7 7.148 12.019 -3.868 1.00 1.06 C ATOM 116 C LYS A 7 7.552 13.347 -3.225 1.00 1.18 C ATOM 117 O LYS A 7 7.980 14.276 -3.912 1.00 1.29 O ATOM 118 CB LYS A 7 8.375 11.346 -4.490 1.00 1.26 C ATOM 119 CG LYS A 7 9.488 11.063 -3.492 1.00 1.78 C ATOM 120 CD LYS A 7 9.147 9.890 -2.587 1.00 2.30 C ATOM 121 CE LYS A 7 10.104 9.803 -1.408 1.00 2.50 C ATOM 122 NZ LYS A 7 10.018 8.487 -0.713 1.00 3.10 N ATOM 0 H LYS A 7 6.355 11.894 -5.808 1.00 0.91 H new ATOM 0 HA LYS A 7 6.743 11.372 -3.090 1.00 1.06 H new ATOM 0 HB2 LYS A 7 8.068 10.409 -4.954 1.00 1.26 H new ATOM 0 HB3 LYS A 7 8.764 11.983 -5.284 1.00 1.26 H new ATOM 0 HG2 LYS A 7 10.413 10.852 -4.029 1.00 1.78 H new ATOM 0 HG3 LYS A 7 9.667 11.951 -2.885 1.00 1.78 H new ATOM 0 HD2 LYS A 7 8.125 9.995 -2.222 1.00 2.30 H new ATOM 0 HD3 LYS A 7 9.187 8.963 -3.159 1.00 2.30 H new ATOM 0 HE2 LYS A 7 11.124 9.962 -1.757 1.00 2.50 H new ATOM 0 HE3 LYS A 7 9.881 10.602 -0.701 1.00 2.50 H new ATOM 0 HZ1 LYS A 7 10.422 8.571 0.241 1.00 3.10 H new ATOM 0 HZ2 LYS A 7 9.022 8.196 -0.643 1.00 3.10 H new ATOM 0 HZ3 LYS A 7 10.550 7.774 -1.252 1.00 3.10 H new ATOM 136 N GLY A 8 7.412 13.418 -1.900 1.00 1.38 N ATOM 137 CA GLY A 8 7.767 14.625 -1.170 1.00 1.62 C ATOM 138 C GLY A 8 9.056 14.463 -0.386 1.00 1.78 C ATOM 139 O GLY A 8 9.934 13.698 -0.795 1.00 1.78 O ATOM 0 H GLY A 8 7.058 12.658 -1.319 1.00 1.38 H new ATOM 0 HA2 GLY A 8 7.872 15.454 -1.870 1.00 1.62 H new ATOM 0 HA3 GLY A 8 6.959 14.885 -0.487 1.00 1.62 H new ATOM 143 N PRO A 9 9.205 15.166 0.755 1.00 2.05 N ATOM 144 CA PRO A 9 10.410 15.075 1.588 1.00 2.32 C ATOM 145 C PRO A 9 10.606 13.661 2.141 1.00 2.37 C ATOM 146 O PRO A 9 11.432 12.905 1.627 1.00 2.77 O ATOM 147 CB PRO A 9 10.166 16.097 2.713 1.00 2.68 C ATOM 148 CG PRO A 9 9.052 16.962 2.223 1.00 2.59 C ATOM 149 CD PRO A 9 8.218 16.096 1.324 1.00 2.24 C ATOM 0 HA PRO A 9 11.320 15.286 1.027 1.00 2.32 H new ATOM 0 HB2 PRO A 9 9.897 15.600 3.645 1.00 2.68 H new ATOM 0 HB3 PRO A 9 11.062 16.685 2.912 1.00 2.68 H new ATOM 0 HG2 PRO A 9 8.460 17.344 3.055 1.00 2.59 H new ATOM 0 HG3 PRO A 9 9.438 17.826 1.683 1.00 2.59 H new ATOM 0 HD2 PRO A 9 7.440 15.570 1.878 1.00 2.24 H new ATOM 0 HD3 PRO A 9 7.720 16.679 0.550 1.00 2.24 H new ATOM 157 N LYS A 10 9.847 13.299 3.183 1.00 2.38 N ATOM 158 CA LYS A 10 9.951 11.970 3.782 1.00 2.57 C ATOM 159 C LYS A 10 9.611 10.890 2.757 1.00 2.26 C ATOM 160 O LYS A 10 10.475 10.102 2.368 1.00 2.45 O ATOM 161 CB LYS A 10 9.025 11.855 5.000 1.00 2.99 C ATOM 162 CG LYS A 10 9.514 12.633 6.212 1.00 3.71 C ATOM 163 CD LYS A 10 8.603 12.433 7.415 1.00 4.04 C ATOM 164 CE LYS A 10 9.397 12.095 8.668 1.00 4.40 C ATOM 165 NZ LYS A 10 9.789 10.659 8.711 1.00 4.92 N ATOM 0 H LYS A 10 9.158 13.908 3.625 1.00 2.38 H new ATOM 0 HA LYS A 10 10.980 11.824 4.111 1.00 2.57 H new ATOM 0 HB2 LYS A 10 8.032 12.212 4.726 1.00 2.99 H new ATOM 0 HB3 LYS A 10 8.923 10.804 5.270 1.00 2.99 H new ATOM 0 HG2 LYS A 10 10.525 12.315 6.465 1.00 3.71 H new ATOM 0 HG3 LYS A 10 9.565 13.694 5.967 1.00 3.71 H new ATOM 0 HD2 LYS A 10 8.021 13.338 7.586 1.00 4.04 H new ATOM 0 HD3 LYS A 10 7.894 11.632 7.206 1.00 4.04 H new ATOM 0 HE2 LYS A 10 10.292 12.716 8.708 1.00 4.40 H new ATOM 0 HE3 LYS A 10 8.802 12.335 9.549 1.00 4.40 H new ATOM 0 HZ1 LYS A 10 10.328 10.472 9.581 1.00 4.92 H new ATOM 0 HZ2 LYS A 10 8.935 10.066 8.699 1.00 4.92 H new ATOM 0 HZ3 LYS A 10 10.378 10.435 7.884 1.00 4.92 H new ATOM 179 N GLY A 11 8.352 10.866 2.315 1.00 2.10 N ATOM 180 CA GLY A 11 7.933 9.884 1.331 1.00 2.10 C ATOM 181 C GLY A 11 6.449 9.578 1.377 1.00 2.08 C ATOM 182 O GLY A 11 5.632 10.363 0.892 1.00 2.30 O ATOM 0 H GLY A 11 7.620 11.507 2.621 1.00 2.10 H new ATOM 0 HA2 GLY A 11 8.191 10.246 0.336 1.00 2.10 H new ATOM 0 HA3 GLY A 11 8.491 8.961 1.489 1.00 2.10 H new ATOM 186 N LEU A 12 6.105 8.423 1.942 1.00 2.47 N ATOM 187 CA LEU A 12 4.710 7.989 2.034 1.00 2.77 C ATOM 188 C LEU A 12 4.024 8.522 3.293 1.00 1.92 C ATOM 189 O LEU A 12 2.901 9.018 3.225 1.00 2.52 O ATOM 190 CB LEU A 12 4.628 6.459 1.992 1.00 3.62 C ATOM 191 CG LEU A 12 4.642 5.838 0.589 1.00 4.87 C ATOM 192 CD1 LEU A 12 5.545 6.624 -0.352 1.00 5.33 C ATOM 193 CD2 LEU A 12 5.088 4.387 0.659 1.00 5.70 C ATOM 0 H LEU A 12 6.775 7.768 2.345 1.00 2.47 H new ATOM 0 HA LEU A 12 4.182 8.403 1.175 1.00 2.77 H new ATOM 0 HB2 LEU A 12 5.464 6.051 2.560 1.00 3.62 H new ATOM 0 HB3 LEU A 12 3.716 6.147 2.500 1.00 3.62 H new ATOM 0 HG LEU A 12 3.627 5.877 0.193 1.00 4.87 H new ATOM 0 HD11 LEU A 12 5.535 6.160 -1.338 1.00 5.33 H new ATOM 0 HD12 LEU A 12 5.185 7.650 -0.430 1.00 5.33 H new ATOM 0 HD13 LEU A 12 6.563 6.626 0.037 1.00 5.33 H new ATOM 0 HD21 LEU A 12 5.093 3.959 -0.344 1.00 5.70 H new ATOM 0 HD22 LEU A 12 6.092 4.335 1.081 1.00 5.70 H new ATOM 0 HD23 LEU A 12 4.399 3.825 1.290 1.00 5.70 H new ATOM 205 N GLY A 13 4.696 8.409 4.439 1.00 1.13 N ATOM 206 CA GLY A 13 4.122 8.884 5.689 1.00 1.11 C ATOM 207 C GLY A 13 3.093 7.929 6.271 1.00 0.96 C ATOM 208 O GLY A 13 2.060 8.361 6.783 1.00 1.03 O ATOM 0 H GLY A 13 5.626 7.998 4.524 1.00 1.13 H new ATOM 0 HA2 GLY A 13 4.921 9.035 6.415 1.00 1.11 H new ATOM 0 HA3 GLY A 13 3.655 9.855 5.522 1.00 1.11 H new ATOM 212 N PHE A 14 3.378 6.628 6.191 1.00 0.81 N ATOM 213 CA PHE A 14 2.483 5.597 6.716 1.00 0.71 C ATOM 214 C PHE A 14 3.230 4.268 6.848 1.00 0.56 C ATOM 215 O PHE A 14 4.441 4.215 6.640 1.00 0.52 O ATOM 216 CB PHE A 14 1.220 5.448 5.848 1.00 0.74 C ATOM 217 CG PHE A 14 1.469 5.092 4.407 1.00 0.63 C ATOM 218 CD1 PHE A 14 1.930 3.832 4.058 1.00 1.27 C ATOM 219 CD2 PHE A 14 1.221 6.013 3.402 1.00 1.41 C ATOM 220 CE1 PHE A 14 2.144 3.500 2.736 1.00 1.33 C ATOM 221 CE2 PHE A 14 1.429 5.684 2.076 1.00 1.46 C ATOM 222 CZ PHE A 14 1.891 4.427 1.743 1.00 0.83 C ATOM 0 H PHE A 14 4.229 6.262 5.764 1.00 0.81 H new ATOM 0 HA PHE A 14 2.151 5.906 7.707 1.00 0.71 H new ATOM 0 HB2 PHE A 14 0.584 4.681 6.290 1.00 0.74 H new ATOM 0 HB3 PHE A 14 0.662 6.384 5.883 1.00 0.74 H new ATOM 0 HD1 PHE A 14 2.124 3.102 4.830 1.00 1.27 H new ATOM 0 HD2 PHE A 14 0.861 6.999 3.658 1.00 1.41 H new ATOM 0 HE1 PHE A 14 2.509 2.517 2.478 1.00 1.33 H new ATOM 0 HE2 PHE A 14 1.230 6.410 1.301 1.00 1.46 H new ATOM 0 HZ PHE A 14 2.055 4.168 0.707 1.00 0.83 H new ATOM 232 N SER A 15 2.515 3.195 7.186 1.00 0.55 N ATOM 233 CA SER A 15 3.128 1.881 7.329 1.00 0.47 C ATOM 234 C SER A 15 2.362 0.847 6.508 1.00 0.47 C ATOM 235 O SER A 15 1.298 1.140 5.961 1.00 0.52 O ATOM 236 CB SER A 15 3.173 1.458 8.800 1.00 0.50 C ATOM 237 OG SER A 15 2.102 2.017 9.527 1.00 0.57 O ATOM 0 H SER A 15 1.511 3.213 7.365 1.00 0.55 H new ATOM 0 HA SER A 15 4.151 1.940 6.957 1.00 0.47 H new ATOM 0 HB2 SER A 15 3.134 0.371 8.869 1.00 0.50 H new ATOM 0 HB3 SER A 15 4.119 1.772 9.242 1.00 0.50 H new ATOM 0 HG SER A 15 1.677 1.321 10.071 1.00 0.57 H new ATOM 243 N ILE A 16 2.906 -0.365 6.437 1.00 0.44 N ATOM 244 CA ILE A 16 2.279 -1.454 5.692 1.00 0.46 C ATOM 245 C ILE A 16 2.750 -2.807 6.212 1.00 0.46 C ATOM 246 O ILE A 16 3.686 -2.891 7.007 1.00 0.45 O ATOM 247 CB ILE A 16 2.592 -1.388 4.166 1.00 0.47 C ATOM 248 CG1 ILE A 16 3.948 -2.035 3.835 1.00 0.67 C ATOM 249 CG2 ILE A 16 2.536 0.041 3.641 1.00 0.57 C ATOM 250 CD1 ILE A 16 5.135 -1.202 4.240 1.00 0.64 C ATOM 0 H ILE A 16 3.784 -0.619 6.889 1.00 0.44 H new ATOM 0 HA ILE A 16 1.205 -1.340 5.838 1.00 0.46 H new ATOM 0 HB ILE A 16 1.815 -1.961 3.660 1.00 0.47 H new ATOM 0 HG12 ILE A 16 4.009 -3.003 4.332 1.00 0.67 H new ATOM 0 HG13 ILE A 16 3.998 -2.224 2.763 1.00 0.67 H new ATOM 0 HG21 ILE A 16 2.760 0.046 2.574 1.00 0.57 H new ATOM 0 HG22 ILE A 16 1.539 0.450 3.805 1.00 0.57 H new ATOM 0 HG23 ILE A 16 3.269 0.651 4.168 1.00 0.57 H new ATOM 0 HD11 ILE A 16 6.054 -1.724 3.974 1.00 0.64 H new ATOM 0 HD12 ILE A 16 5.100 -0.243 3.723 1.00 0.64 H new ATOM 0 HD13 ILE A 16 5.112 -1.035 5.317 1.00 0.64 H new ATOM 262 N ALA A 17 2.111 -3.853 5.713 1.00 0.51 N ATOM 263 CA ALA A 17 2.449 -5.230 6.043 1.00 0.55 C ATOM 264 C ALA A 17 2.390 -6.029 4.745 1.00 0.73 C ATOM 265 O ALA A 17 1.855 -5.526 3.762 1.00 1.19 O ATOM 266 CB ALA A 17 1.506 -5.781 7.101 1.00 0.71 C ATOM 0 H ALA A 17 1.333 -3.769 5.059 1.00 0.51 H new ATOM 0 HA ALA A 17 3.449 -5.297 6.472 1.00 0.55 H new ATOM 0 HB1 ALA A 17 1.779 -6.811 7.331 1.00 0.71 H new ATOM 0 HB2 ALA A 17 1.580 -5.176 8.005 1.00 0.71 H new ATOM 0 HB3 ALA A 17 0.483 -5.752 6.727 1.00 0.71 H new ATOM 272 N GLY A 18 2.908 -7.254 4.709 1.00 0.60 N ATOM 273 CA GLY A 18 2.818 -8.001 3.463 1.00 0.77 C ATOM 274 C GLY A 18 3.700 -9.229 3.375 1.00 0.85 C ATOM 275 O GLY A 18 4.900 -9.130 3.609 1.00 1.29 O ATOM 0 H GLY A 18 3.370 -7.729 5.484 1.00 0.60 H new ATOM 0 HA2 GLY A 18 1.782 -8.308 3.317 1.00 0.77 H new ATOM 0 HA3 GLY A 18 3.072 -7.333 2.640 1.00 0.77 H new ATOM 279 N GLY A 19 3.127 -10.377 2.996 1.00 1.01 N ATOM 280 CA GLY A 19 3.926 -11.585 2.843 1.00 1.61 C ATOM 281 C GLY A 19 3.733 -12.591 3.958 1.00 0.89 C ATOM 282 O GLY A 19 3.270 -12.247 5.043 1.00 0.76 O ATOM 0 H GLY A 19 2.133 -10.489 2.795 1.00 1.01 H new ATOM 0 HA2 GLY A 19 3.675 -12.057 1.893 1.00 1.61 H new ATOM 0 HA3 GLY A 19 4.979 -11.309 2.794 1.00 1.61 H new ATOM 286 N VAL A 20 4.099 -13.845 3.683 1.00 0.97 N ATOM 287 CA VAL A 20 3.974 -14.916 4.669 1.00 1.05 C ATOM 288 C VAL A 20 4.910 -14.665 5.857 1.00 1.18 C ATOM 289 O VAL A 20 6.033 -14.187 5.680 1.00 1.35 O ATOM 290 CB VAL A 20 4.279 -16.301 4.052 1.00 1.68 C ATOM 291 CG1 VAL A 20 5.749 -16.416 3.663 1.00 1.76 C ATOM 292 CG2 VAL A 20 3.886 -17.415 5.011 1.00 2.72 C ATOM 0 H VAL A 20 4.484 -14.142 2.786 1.00 0.97 H new ATOM 0 HA VAL A 20 2.940 -14.917 5.015 1.00 1.05 H new ATOM 0 HB VAL A 20 3.683 -16.404 3.145 1.00 1.68 H new ATOM 0 HG11 VAL A 20 5.935 -17.400 3.232 1.00 1.76 H new ATOM 0 HG12 VAL A 20 5.993 -15.647 2.930 1.00 1.76 H new ATOM 0 HG13 VAL A 20 6.371 -16.284 4.548 1.00 1.76 H new ATOM 0 HG21 VAL A 20 4.109 -18.381 4.558 1.00 2.72 H new ATOM 0 HG22 VAL A 20 4.448 -17.311 5.939 1.00 2.72 H new ATOM 0 HG23 VAL A 20 2.819 -17.352 5.224 1.00 2.72 H new ATOM 302 N GLY A 21 4.435 -14.977 7.065 1.00 1.30 N ATOM 303 CA GLY A 21 5.240 -14.763 8.264 1.00 1.54 C ATOM 304 C GLY A 21 5.169 -13.327 8.774 1.00 1.24 C ATOM 305 O GLY A 21 5.432 -13.067 9.949 1.00 1.56 O ATOM 0 H GLY A 21 3.511 -15.373 7.236 1.00 1.30 H new ATOM 0 HA2 GLY A 21 4.902 -15.440 9.049 1.00 1.54 H new ATOM 0 HA3 GLY A 21 6.278 -15.017 8.049 1.00 1.54 H new ATOM 309 N ASN A 22 4.800 -12.398 7.887 1.00 0.73 N ATOM 310 CA ASN A 22 4.672 -10.983 8.231 1.00 0.61 C ATOM 311 C ASN A 22 3.364 -10.404 7.666 1.00 0.65 C ATOM 312 O ASN A 22 3.245 -9.189 7.484 1.00 0.67 O ATOM 313 CB ASN A 22 5.879 -10.178 7.707 1.00 0.47 C ATOM 314 CG ASN A 22 6.499 -10.772 6.451 1.00 0.74 C ATOM 315 OD1 ASN A 22 5.721 -10.866 5.384 1.00 1.27 O flip ATOM 316 ND2 ASN A 22 7.672 -11.142 6.446 1.00 1.63 N flip ATOM 0 H ASN A 22 4.582 -12.607 6.913 1.00 0.73 H new ATOM 0 HA ASN A 22 4.649 -10.903 9.318 1.00 0.61 H new ATOM 0 HB2 ASN A 22 5.563 -9.156 7.499 1.00 0.47 H new ATOM 0 HB3 ASN A 22 6.638 -10.124 8.488 1.00 0.47 H new ATOM 0 HD21 ASN A 22 8.239 -11.052 7.289 1.00 1.63 H new ATOM 0 HD22 ASN A 22 8.078 -11.538 5.598 1.00 1.63 H new ATOM 323 N GLN A 23 2.395 -11.281 7.362 1.00 0.77 N ATOM 324 CA GLN A 23 1.110 -10.864 6.791 1.00 0.94 C ATOM 325 C GLN A 23 0.329 -9.931 7.716 1.00 0.88 C ATOM 326 O GLN A 23 0.449 -9.996 8.941 1.00 0.87 O ATOM 327 CB GLN A 23 0.247 -12.090 6.440 1.00 1.19 C ATOM 328 CG GLN A 23 0.201 -13.170 7.517 1.00 1.42 C ATOM 329 CD GLN A 23 -0.700 -12.809 8.685 1.00 1.55 C ATOM 330 OE1 GLN A 23 -0.223 -12.494 9.775 1.00 1.62 O ATOM 331 NE2 GLN A 23 -2.008 -12.861 8.466 1.00 2.34 N ATOM 0 H GLN A 23 2.480 -12.287 7.504 1.00 0.77 H new ATOM 0 HA GLN A 23 1.341 -10.307 5.883 1.00 0.94 H new ATOM 0 HB2 GLN A 23 -0.770 -11.755 6.238 1.00 1.19 H new ATOM 0 HB3 GLN A 23 0.626 -12.532 5.518 1.00 1.19 H new ATOM 0 HG2 GLN A 23 -0.146 -14.103 7.073 1.00 1.42 H new ATOM 0 HG3 GLN A 23 1.211 -13.349 7.887 1.00 1.42 H new ATOM 0 HE21 GLN A 23 -2.361 -13.127 7.547 1.00 2.34 H new ATOM 0 HE22 GLN A 23 -2.660 -12.635 9.217 1.00 2.34 H new ATOM 340 N HIS A 24 -0.451 -9.046 7.099 1.00 0.86 N ATOM 341 CA HIS A 24 -1.251 -8.057 7.826 1.00 0.83 C ATOM 342 C HIS A 24 -2.647 -8.570 8.184 1.00 0.84 C ATOM 343 O HIS A 24 -3.283 -8.044 9.100 1.00 0.92 O ATOM 344 CB HIS A 24 -1.410 -6.792 6.981 1.00 0.85 C ATOM 345 CG HIS A 24 -1.995 -5.650 7.727 1.00 0.83 C ATOM 346 ND1 HIS A 24 -1.273 -4.873 8.596 1.00 0.90 N ATOM 347 CD2 HIS A 24 -3.246 -5.146 7.713 1.00 0.81 C ATOM 348 CE1 HIS A 24 -2.051 -3.936 9.089 1.00 0.88 C ATOM 349 NE2 HIS A 24 -3.259 -4.076 8.572 1.00 0.82 N ATOM 0 H HIS A 24 -0.548 -8.992 6.085 1.00 0.86 H new ATOM 0 HA HIS A 24 -0.716 -7.849 8.752 1.00 0.83 H new ATOM 0 HB2 HIS A 24 -0.435 -6.500 6.592 1.00 0.85 H new ATOM 0 HB3 HIS A 24 -2.042 -7.016 6.122 1.00 0.85 H new ATOM 0 HD2 HIS A 24 -4.080 -5.515 7.135 1.00 0.81 H new ATOM 0 HE1 HIS A 24 -1.753 -3.178 9.798 1.00 0.88 H new ATOM 0 HE2 HIS A 24 -4.066 -3.487 8.777 1.00 0.82 H new ATOM 358 N ILE A 25 -3.131 -9.577 7.459 1.00 0.80 N ATOM 359 CA ILE A 25 -4.462 -10.119 7.713 1.00 0.86 C ATOM 360 C ILE A 25 -4.530 -11.610 7.377 1.00 0.81 C ATOM 361 O ILE A 25 -4.114 -12.027 6.295 1.00 0.80 O ATOM 362 CB ILE A 25 -5.539 -9.360 6.901 1.00 0.95 C ATOM 363 CG1 ILE A 25 -5.347 -7.845 7.031 1.00 1.01 C ATOM 364 CG2 ILE A 25 -6.932 -9.758 7.364 1.00 1.51 C ATOM 365 CD1 ILE A 25 -6.414 -7.030 6.332 1.00 1.16 C ATOM 0 H ILE A 25 -2.626 -10.030 6.698 1.00 0.80 H new ATOM 0 HA ILE A 25 -4.661 -9.988 8.777 1.00 0.86 H new ATOM 0 HB ILE A 25 -5.430 -9.632 5.851 1.00 0.95 H new ATOM 0 HG12 ILE A 25 -5.335 -7.579 8.088 1.00 1.01 H new ATOM 0 HG13 ILE A 25 -4.373 -7.576 6.624 1.00 1.01 H new ATOM 0 HG21 ILE A 25 -7.677 -9.215 6.783 1.00 1.51 H new ATOM 0 HG22 ILE A 25 -7.070 -10.830 7.221 1.00 1.51 H new ATOM 0 HG23 ILE A 25 -7.048 -9.515 8.420 1.00 1.51 H new ATOM 0 HD11 ILE A 25 -6.209 -5.968 6.469 1.00 1.16 H new ATOM 0 HD12 ILE A 25 -6.413 -7.265 5.268 1.00 1.16 H new ATOM 0 HD13 ILE A 25 -7.390 -7.269 6.755 1.00 1.16 H new ATOM 377 N PRO A 26 -5.054 -12.435 8.308 1.00 0.82 N ATOM 378 CA PRO A 26 -5.172 -13.886 8.109 1.00 0.82 C ATOM 379 C PRO A 26 -5.886 -14.235 6.805 1.00 0.86 C ATOM 380 O PRO A 26 -7.005 -13.781 6.559 1.00 0.95 O ATOM 381 CB PRO A 26 -5.996 -14.348 9.313 1.00 0.88 C ATOM 382 CG PRO A 26 -5.749 -13.320 10.360 1.00 0.98 C ATOM 383 CD PRO A 26 -5.569 -12.019 9.628 1.00 0.87 C ATOM 0 HA PRO A 26 -4.197 -14.368 8.037 1.00 0.82 H new ATOM 0 HB2 PRO A 26 -7.055 -14.414 9.065 1.00 0.88 H new ATOM 0 HB3 PRO A 26 -5.685 -15.337 9.649 1.00 0.88 H new ATOM 0 HG2 PRO A 26 -6.586 -13.263 11.057 1.00 0.98 H new ATOM 0 HG3 PRO A 26 -4.863 -13.564 10.946 1.00 0.98 H new ATOM 0 HD2 PRO A 26 -6.509 -11.475 9.539 1.00 0.87 H new ATOM 0 HD3 PRO A 26 -4.868 -11.362 10.143 1.00 0.87 H new ATOM 391 N GLY A 27 -5.225 -15.039 5.972 1.00 0.85 N ATOM 392 CA GLY A 27 -5.803 -15.434 4.697 1.00 0.94 C ATOM 393 C GLY A 27 -5.223 -14.656 3.530 1.00 0.92 C ATOM 394 O GLY A 27 -4.753 -15.247 2.558 1.00 1.06 O ATOM 0 H GLY A 27 -4.299 -15.424 6.158 1.00 0.85 H new ATOM 0 HA2 GLY A 27 -5.634 -16.499 4.539 1.00 0.94 H new ATOM 0 HA3 GLY A 27 -6.882 -15.284 4.729 1.00 0.94 H new ATOM 398 N ASP A 28 -5.255 -13.325 3.630 1.00 0.80 N ATOM 399 CA ASP A 28 -4.727 -12.460 2.577 1.00 0.80 C ATOM 400 C ASP A 28 -3.290 -12.043 2.886 1.00 0.65 C ATOM 401 O ASP A 28 -3.044 -11.286 3.826 1.00 0.57 O ATOM 402 CB ASP A 28 -5.608 -11.213 2.418 1.00 0.91 C ATOM 403 CG ASP A 28 -6.209 -11.087 1.029 1.00 1.08 C ATOM 404 OD1 ASP A 28 -5.463 -11.242 0.039 1.00 1.48 O ATOM 405 OD2 ASP A 28 -7.427 -10.829 0.932 1.00 1.68 O ATOM 0 H ASP A 28 -5.641 -12.825 4.430 1.00 0.80 H new ATOM 0 HA ASP A 28 -4.733 -13.022 1.643 1.00 0.80 H new ATOM 0 HB2 ASP A 28 -6.411 -11.245 3.154 1.00 0.91 H new ATOM 0 HB3 ASP A 28 -5.014 -10.325 2.633 1.00 0.91 H new ATOM 410 N ASN A 29 -2.343 -12.539 2.086 1.00 0.69 N ATOM 411 CA ASN A 29 -0.928 -12.212 2.279 1.00 0.63 C ATOM 412 C ASN A 29 -0.521 -10.963 1.485 1.00 0.59 C ATOM 413 O ASN A 29 0.670 -10.709 1.287 1.00 0.65 O ATOM 414 CB ASN A 29 -0.046 -13.398 1.882 1.00 0.79 C ATOM 415 CG ASN A 29 -0.150 -14.550 2.863 1.00 1.36 C ATOM 416 OD1 ASN A 29 0.649 -14.660 3.795 1.00 2.11 O ATOM 417 ND2 ASN A 29 -1.138 -15.418 2.663 1.00 1.98 N ATOM 0 H ASN A 29 -2.529 -13.165 1.303 1.00 0.69 H new ATOM 0 HA ASN A 29 -0.783 -11.997 3.338 1.00 0.63 H new ATOM 0 HB2 ASN A 29 -0.332 -13.743 0.889 1.00 0.79 H new ATOM 0 HB3 ASN A 29 0.992 -13.071 1.819 1.00 0.79 H new ATOM 0 HD21 ASN A 29 -1.256 -16.211 3.294 1.00 1.98 H new ATOM 0 HD22 ASN A 29 -1.778 -15.290 1.879 1.00 1.98 H new ATOM 424 N SER A 30 -1.512 -10.175 1.047 1.00 0.56 N ATOM 425 CA SER A 30 -1.251 -8.946 0.297 1.00 0.56 C ATOM 426 C SER A 30 -0.630 -7.888 1.206 1.00 0.55 C ATOM 427 O SER A 30 -0.421 -8.128 2.398 1.00 0.55 O ATOM 428 CB SER A 30 -2.545 -8.403 -0.321 1.00 0.60 C ATOM 429 OG SER A 30 -3.430 -9.450 -0.679 1.00 1.39 O ATOM 0 H SER A 30 -2.501 -10.370 1.201 1.00 0.56 H new ATOM 0 HA SER A 30 -0.551 -9.182 -0.505 1.00 0.56 H new ATOM 0 HB2 SER A 30 -3.036 -7.737 0.388 1.00 0.60 H new ATOM 0 HB3 SER A 30 -2.307 -7.809 -1.203 1.00 0.60 H new ATOM 0 HG SER A 30 -3.995 -9.677 0.088 1.00 1.39 H new ATOM 435 N ILE A 31 -0.359 -6.709 0.651 1.00 0.55 N ATOM 436 CA ILE A 31 0.211 -5.629 1.449 1.00 0.55 C ATOM 437 C ILE A 31 -0.885 -4.674 1.929 1.00 0.57 C ATOM 438 O ILE A 31 -1.561 -4.038 1.127 1.00 0.65 O ATOM 439 CB ILE A 31 1.315 -4.843 0.691 1.00 0.53 C ATOM 440 CG1 ILE A 31 2.659 -5.584 0.742 1.00 0.62 C ATOM 441 CG2 ILE A 31 1.475 -3.443 1.273 1.00 0.60 C ATOM 442 CD1 ILE A 31 2.624 -6.995 0.189 1.00 0.80 C ATOM 0 H ILE A 31 -0.521 -6.480 -0.330 1.00 0.55 H new ATOM 0 HA ILE A 31 0.685 -6.095 2.313 1.00 0.55 H new ATOM 0 HB ILE A 31 1.004 -4.762 -0.351 1.00 0.53 H new ATOM 0 HG12 ILE A 31 3.398 -5.008 0.185 1.00 0.62 H new ATOM 0 HG13 ILE A 31 2.999 -5.622 1.777 1.00 0.62 H new ATOM 0 HG21 ILE A 31 2.253 -2.909 0.728 1.00 0.60 H new ATOM 0 HG22 ILE A 31 0.533 -2.902 1.184 1.00 0.60 H new ATOM 0 HG23 ILE A 31 1.753 -3.516 2.324 1.00 0.60 H new ATOM 0 HD11 ILE A 31 3.616 -7.441 0.266 1.00 0.80 H new ATOM 0 HD12 ILE A 31 1.913 -7.592 0.760 1.00 0.80 H new ATOM 0 HD13 ILE A 31 2.318 -6.968 -0.857 1.00 0.80 H new ATOM 454 N TYR A 32 -1.054 -4.591 3.248 1.00 0.60 N ATOM 455 CA TYR A 32 -2.070 -3.727 3.847 1.00 0.62 C ATOM 456 C TYR A 32 -1.440 -2.648 4.722 1.00 0.59 C ATOM 457 O TYR A 32 -0.432 -2.887 5.386 1.00 0.61 O ATOM 458 CB TYR A 32 -3.031 -4.555 4.701 1.00 0.69 C ATOM 459 CG TYR A 32 -3.954 -5.455 3.914 1.00 0.71 C ATOM 460 CD1 TYR A 32 -3.465 -6.563 3.234 1.00 1.28 C ATOM 461 CD2 TYR A 32 -5.316 -5.202 3.866 1.00 1.34 C ATOM 462 CE1 TYR A 32 -4.309 -7.393 2.526 1.00 1.30 C ATOM 463 CE2 TYR A 32 -6.171 -6.026 3.166 1.00 1.38 C ATOM 464 CZ TYR A 32 -5.664 -7.122 2.495 1.00 0.80 C ATOM 465 OH TYR A 32 -6.511 -7.949 1.793 1.00 0.86 O ATOM 0 H TYR A 32 -0.498 -5.114 3.924 1.00 0.60 H new ATOM 0 HA TYR A 32 -2.611 -3.247 3.032 1.00 0.62 H new ATOM 0 HB2 TYR A 32 -2.449 -5.167 5.390 1.00 0.69 H new ATOM 0 HB3 TYR A 32 -3.634 -3.878 5.306 1.00 0.69 H new ATOM 0 HD1 TYR A 32 -2.407 -6.778 3.260 1.00 1.28 H new ATOM 0 HD2 TYR A 32 -5.715 -4.344 4.386 1.00 1.34 H new ATOM 0 HE1 TYR A 32 -3.914 -8.249 1.999 1.00 1.30 H new ATOM 0 HE2 TYR A 32 -7.230 -5.816 3.142 1.00 1.38 H new ATOM 0 HH TYR A 32 -7.437 -7.772 2.060 1.00 0.86 H new ATOM 475 N VAL A 33 -2.063 -1.469 4.743 1.00 0.57 N ATOM 476 CA VAL A 33 -1.582 -0.359 5.567 1.00 0.55 C ATOM 477 C VAL A 33 -1.838 -0.652 7.046 1.00 0.59 C ATOM 478 O VAL A 33 -2.867 -1.229 7.404 1.00 0.65 O ATOM 479 CB VAL A 33 -2.249 0.978 5.171 1.00 0.59 C ATOM 480 CG1 VAL A 33 -1.961 2.063 6.201 1.00 0.62 C ATOM 481 CG2 VAL A 33 -1.779 1.414 3.790 1.00 0.56 C ATOM 0 H VAL A 33 -2.900 -1.258 4.200 1.00 0.57 H new ATOM 0 HA VAL A 33 -0.510 -0.261 5.396 1.00 0.55 H new ATOM 0 HB VAL A 33 -3.328 0.823 5.142 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -2.443 2.992 5.896 1.00 0.62 H new ATOM 0 HG12 VAL A 33 -2.349 1.755 7.172 1.00 0.62 H new ATOM 0 HG13 VAL A 33 -0.885 2.219 6.273 1.00 0.62 H new ATOM 0 HG21 VAL A 33 -2.257 2.357 3.524 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -0.697 1.545 3.799 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -2.046 0.652 3.057 1.00 0.56 H new ATOM 491 N THR A 34 -0.879 -0.282 7.895 1.00 0.62 N ATOM 492 CA THR A 34 -0.986 -0.541 9.333 1.00 0.71 C ATOM 493 C THR A 34 -1.143 0.740 10.163 1.00 0.72 C ATOM 494 O THR A 34 -1.834 0.731 11.183 1.00 0.84 O ATOM 495 CB THR A 34 0.236 -1.343 9.819 1.00 0.74 C ATOM 496 OG1 THR A 34 1.224 -0.492 10.376 1.00 1.39 O ATOM 497 CG2 THR A 34 0.902 -2.153 8.724 1.00 1.29 C ATOM 0 H THR A 34 -0.023 0.196 7.615 1.00 0.62 H new ATOM 0 HA THR A 34 -1.894 -1.125 9.482 1.00 0.71 H new ATOM 0 HB THR A 34 -0.163 -2.026 10.569 1.00 0.74 H new ATOM 0 HG1 THR A 34 1.610 -0.915 11.171 1.00 1.39 H new ATOM 0 HG21 THR A 34 1.754 -2.692 9.137 1.00 1.29 H new ATOM 0 HG22 THR A 34 0.187 -2.865 8.312 1.00 1.29 H new ATOM 0 HG23 THR A 34 1.244 -1.485 7.934 1.00 1.29 H new ATOM 505 N LYS A 35 -0.505 1.831 9.732 1.00 0.65 N ATOM 506 CA LYS A 35 -0.580 3.102 10.460 1.00 0.71 C ATOM 507 C LYS A 35 -0.258 4.285 9.550 1.00 0.69 C ATOM 508 O LYS A 35 0.839 4.371 9.001 1.00 0.62 O ATOM 509 CB LYS A 35 0.400 3.103 11.644 1.00 0.72 C ATOM 510 CG LYS A 35 -0.133 2.434 12.901 1.00 1.32 C ATOM 511 CD LYS A 35 -1.285 3.219 13.511 1.00 1.46 C ATOM 512 CE LYS A 35 -1.830 2.536 14.756 1.00 2.02 C ATOM 513 NZ LYS A 35 -2.897 3.341 15.413 1.00 2.54 N ATOM 0 H LYS A 35 0.066 1.861 8.888 1.00 0.65 H new ATOM 0 HA LYS A 35 -1.602 3.206 10.826 1.00 0.71 H new ATOM 0 HB2 LYS A 35 1.318 2.600 11.341 1.00 0.72 H new ATOM 0 HB3 LYS A 35 0.665 4.134 11.880 1.00 0.72 H new ATOM 0 HG2 LYS A 35 -0.467 1.424 12.662 1.00 1.32 H new ATOM 0 HG3 LYS A 35 0.670 2.340 13.632 1.00 1.32 H new ATOM 0 HD2 LYS A 35 -0.947 4.224 13.765 1.00 1.46 H new ATOM 0 HD3 LYS A 35 -2.082 3.327 12.776 1.00 1.46 H new ATOM 0 HE2 LYS A 35 -2.228 1.557 14.488 1.00 2.02 H new ATOM 0 HE3 LYS A 35 -1.017 2.367 15.462 1.00 2.02 H new ATOM 0 HZ1 LYS A 35 -3.240 2.839 16.257 1.00 2.54 H new ATOM 0 HZ2 LYS A 35 -2.512 4.266 15.693 1.00 2.54 H new ATOM 0 HZ3 LYS A 35 -3.685 3.481 14.749 1.00 2.54 H new ATOM 527 N ILE A 36 -1.210 5.205 9.407 1.00 0.86 N ATOM 528 CA ILE A 36 -1.004 6.388 8.577 1.00 0.92 C ATOM 529 C ILE A 36 -0.536 7.570 9.430 1.00 0.98 C ATOM 530 O ILE A 36 -1.250 8.018 10.329 1.00 1.06 O ATOM 531 CB ILE A 36 -2.283 6.781 7.806 1.00 1.03 C ATOM 532 CG1 ILE A 36 -2.778 5.597 6.964 1.00 1.40 C ATOM 533 CG2 ILE A 36 -2.017 7.998 6.927 1.00 1.12 C ATOM 534 CD1 ILE A 36 -3.698 5.990 5.826 1.00 1.35 C ATOM 0 H ILE A 36 -2.126 5.154 9.853 1.00 0.86 H new ATOM 0 HA ILE A 36 -0.233 6.137 7.849 1.00 0.92 H new ATOM 0 HB ILE A 36 -3.062 7.042 8.523 1.00 1.03 H new ATOM 0 HG12 ILE A 36 -1.916 5.070 6.555 1.00 1.40 H new ATOM 0 HG13 ILE A 36 -3.301 4.896 7.614 1.00 1.40 H new ATOM 0 HG21 ILE A 36 -2.927 8.264 6.389 1.00 1.12 H new ATOM 0 HG22 ILE A 36 -1.706 8.836 7.551 1.00 1.12 H new ATOM 0 HG23 ILE A 36 -1.228 7.765 6.212 1.00 1.12 H new ATOM 0 HD11 ILE A 36 -4.003 5.097 5.280 1.00 1.35 H new ATOM 0 HD12 ILE A 36 -4.580 6.489 6.227 1.00 1.35 H new ATOM 0 HD13 ILE A 36 -3.174 6.666 5.151 1.00 1.35 H new ATOM 546 N ILE A 37 0.671 8.067 9.144 1.00 1.03 N ATOM 547 CA ILE A 37 1.244 9.191 9.882 1.00 1.10 C ATOM 548 C ILE A 37 0.579 10.512 9.477 1.00 1.10 C ATOM 549 O ILE A 37 0.218 10.702 8.313 1.00 1.37 O ATOM 550 CB ILE A 37 2.775 9.282 9.655 1.00 1.14 C ATOM 551 CG1 ILE A 37 3.504 8.221 10.485 1.00 1.47 C ATOM 552 CG2 ILE A 37 3.306 10.669 9.995 1.00 1.32 C ATOM 553 CD1 ILE A 37 3.435 6.828 9.895 1.00 1.68 C ATOM 0 H ILE A 37 1.271 7.705 8.403 1.00 1.03 H new ATOM 0 HA ILE A 37 1.057 9.016 10.941 1.00 1.10 H new ATOM 0 HB ILE A 37 2.964 9.098 8.597 1.00 1.14 H new ATOM 0 HG12 ILE A 37 4.550 8.510 10.589 1.00 1.47 H new ATOM 0 HG13 ILE A 37 3.078 8.202 11.488 1.00 1.47 H new ATOM 0 HG21 ILE A 37 4.382 10.698 9.825 1.00 1.32 H new ATOM 0 HG22 ILE A 37 2.818 11.411 9.362 1.00 1.32 H new ATOM 0 HG23 ILE A 37 3.098 10.892 11.042 1.00 1.32 H new ATOM 0 HD11 ILE A 37 3.974 6.133 10.539 1.00 1.68 H new ATOM 0 HD12 ILE A 37 2.393 6.517 9.817 1.00 1.68 H new ATOM 0 HD13 ILE A 37 3.888 6.830 8.904 1.00 1.68 H new ATOM 565 N GLU A 38 0.421 11.418 10.448 1.00 0.96 N ATOM 566 CA GLU A 38 -0.200 12.722 10.197 1.00 0.99 C ATOM 567 C GLU A 38 0.566 13.495 9.121 1.00 1.31 C ATOM 568 O GLU A 38 1.794 13.412 9.039 1.00 1.64 O ATOM 569 CB GLU A 38 -0.268 13.549 11.489 1.00 1.23 C ATOM 570 CG GLU A 38 -1.338 14.631 11.467 1.00 1.71 C ATOM 571 CD GLU A 38 -1.743 15.078 12.859 1.00 2.41 C ATOM 572 OE1 GLU A 38 -1.101 16.007 13.395 1.00 3.11 O ATOM 573 OE2 GLU A 38 -2.704 14.503 13.412 1.00 2.79 O ATOM 0 H GLU A 38 0.714 11.272 11.414 1.00 0.96 H new ATOM 0 HA GLU A 38 -1.214 12.544 9.840 1.00 0.99 H new ATOM 0 HB2 GLU A 38 -0.457 12.880 12.329 1.00 1.23 H new ATOM 0 HB3 GLU A 38 0.702 14.013 11.664 1.00 1.23 H new ATOM 0 HG2 GLU A 38 -0.970 15.490 10.906 1.00 1.71 H new ATOM 0 HG3 GLU A 38 -2.216 14.258 10.939 1.00 1.71 H new ATOM 580 N GLY A 39 -0.171 14.247 8.300 1.00 1.69 N ATOM 581 CA GLY A 39 0.443 15.027 7.237 1.00 2.36 C ATOM 582 C GLY A 39 1.218 14.182 6.235 1.00 2.68 C ATOM 583 O GLY A 39 2.102 14.693 5.544 1.00 3.15 O ATOM 0 H GLY A 39 -1.186 14.328 8.355 1.00 1.69 H new ATOM 0 HA2 GLY A 39 -0.333 15.582 6.709 1.00 2.36 H new ATOM 0 HA3 GLY A 39 1.116 15.762 7.678 1.00 2.36 H new ATOM 587 N GLY A 40 0.890 12.888 6.152 1.00 2.49 N ATOM 588 CA GLY A 40 1.572 12.000 5.225 1.00 2.80 C ATOM 589 C GLY A 40 0.892 11.933 3.869 1.00 2.61 C ATOM 590 O GLY A 40 -0.230 12.412 3.708 1.00 2.37 O ATOM 0 H GLY A 40 0.163 12.443 6.712 1.00 2.49 H new ATOM 0 HA2 GLY A 40 2.600 12.338 5.095 1.00 2.80 H new ATOM 0 HA3 GLY A 40 1.617 10.999 5.654 1.00 2.80 H new ATOM 594 N ALA A 41 1.582 11.340 2.893 1.00 2.83 N ATOM 595 CA ALA A 41 1.054 11.206 1.532 1.00 2.70 C ATOM 596 C ALA A 41 -0.378 10.670 1.530 1.00 2.11 C ATOM 597 O ALA A 41 -1.269 11.278 0.934 1.00 2.06 O ATOM 598 CB ALA A 41 1.957 10.304 0.702 1.00 3.00 C ATOM 0 H ALA A 41 2.513 10.943 3.020 1.00 2.83 H new ATOM 0 HA ALA A 41 1.034 12.200 1.086 1.00 2.70 H new ATOM 0 HB1 ALA A 41 1.553 10.213 -0.306 1.00 3.00 H new ATOM 0 HB2 ALA A 41 2.957 10.735 0.655 1.00 3.00 H new ATOM 0 HB3 ALA A 41 2.008 9.317 1.162 1.00 3.00 H new ATOM 604 N ALA A 42 -0.595 9.535 2.200 1.00 1.82 N ATOM 605 CA ALA A 42 -1.925 8.927 2.274 1.00 1.36 C ATOM 606 C ALA A 42 -2.868 9.765 3.135 1.00 1.16 C ATOM 607 O ALA A 42 -3.976 10.092 2.710 1.00 1.02 O ATOM 608 CB ALA A 42 -1.831 7.507 2.813 1.00 1.50 C ATOM 0 H ALA A 42 0.131 9.020 2.698 1.00 1.82 H new ATOM 0 HA ALA A 42 -2.335 8.891 1.265 1.00 1.36 H new ATOM 0 HB1 ALA A 42 -2.828 7.070 2.862 1.00 1.50 H new ATOM 0 HB2 ALA A 42 -1.204 6.908 2.153 1.00 1.50 H new ATOM 0 HB3 ALA A 42 -1.394 7.525 3.811 1.00 1.50 H new ATOM 614 N HIS A 43 -2.420 10.103 4.347 1.00 1.34 N ATOM 615 CA HIS A 43 -3.218 10.904 5.282 1.00 1.21 C ATOM 616 C HIS A 43 -3.783 12.155 4.604 1.00 1.08 C ATOM 617 O HIS A 43 -4.965 12.470 4.751 1.00 1.15 O ATOM 618 CB HIS A 43 -2.361 11.307 6.485 1.00 1.39 C ATOM 619 CG HIS A 43 -3.110 12.054 7.545 1.00 1.16 C ATOM 620 ND1 HIS A 43 -3.244 13.426 7.545 1.00 1.34 N ATOM 621 CD2 HIS A 43 -3.759 11.615 8.650 1.00 1.15 C ATOM 622 CE1 HIS A 43 -3.939 13.800 8.604 1.00 1.22 C ATOM 623 NE2 HIS A 43 -4.264 12.720 9.290 1.00 1.28 N ATOM 0 H HIS A 43 -1.504 9.833 4.706 1.00 1.34 H new ATOM 0 HA HIS A 43 -4.057 10.294 5.618 1.00 1.21 H new ATOM 0 HB2 HIS A 43 -1.927 10.409 6.926 1.00 1.39 H new ATOM 0 HB3 HIS A 43 -1.532 11.924 6.137 1.00 1.39 H new ATOM 0 HD2 HIS A 43 -3.860 10.588 8.968 1.00 1.15 H new ATOM 0 HE1 HIS A 43 -4.197 14.816 8.864 1.00 1.22 H new ATOM 0 HE2 HIS A 43 -4.803 12.708 10.156 1.00 1.28 H new ATOM 632 N LYS A 44 -2.928 12.862 3.863 1.00 1.15 N ATOM 633 CA LYS A 44 -3.332 14.080 3.161 1.00 1.31 C ATOM 634 C LYS A 44 -4.241 13.765 1.972 1.00 1.39 C ATOM 635 O LYS A 44 -5.174 14.517 1.684 1.00 1.46 O ATOM 636 CB LYS A 44 -2.099 14.850 2.683 1.00 1.74 C ATOM 637 CG LYS A 44 -1.300 15.482 3.812 1.00 1.89 C ATOM 638 CD LYS A 44 -0.024 16.130 3.298 1.00 2.36 C ATOM 639 CE LYS A 44 -0.180 17.637 3.149 1.00 2.17 C ATOM 640 NZ LYS A 44 -0.981 18.002 1.945 1.00 2.66 N ATOM 0 H LYS A 44 -1.948 12.610 3.734 1.00 1.15 H new ATOM 0 HA LYS A 44 -3.893 14.696 3.863 1.00 1.31 H new ATOM 0 HB2 LYS A 44 -1.452 14.173 2.126 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -2.414 15.631 1.991 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -1.911 16.230 4.317 1.00 1.89 H new ATOM 0 HG3 LYS A 44 -1.050 14.722 4.552 1.00 1.89 H new ATOM 0 HD2 LYS A 44 0.796 15.915 3.984 1.00 2.36 H new ATOM 0 HD3 LYS A 44 0.243 15.695 2.335 1.00 2.36 H new ATOM 0 HE2 LYS A 44 -0.661 18.041 4.040 1.00 2.17 H new ATOM 0 HE3 LYS A 44 0.805 18.098 3.082 1.00 2.17 H new ATOM 0 HZ1 LYS A 44 -0.894 19.023 1.766 1.00 2.66 H new ATOM 0 HZ2 LYS A 44 -0.629 17.475 1.121 1.00 2.66 H new ATOM 0 HZ3 LYS A 44 -1.980 17.763 2.107 1.00 2.66 H new ATOM 654 N ASP A 45 -3.965 12.652 1.286 1.00 1.59 N ATOM 655 CA ASP A 45 -4.761 12.242 0.130 1.00 1.86 C ATOM 656 C ASP A 45 -6.206 11.941 0.534 1.00 1.89 C ATOM 657 O ASP A 45 -7.144 12.490 -0.046 1.00 1.97 O ATOM 658 CB ASP A 45 -4.137 11.012 -0.538 1.00 2.33 C ATOM 659 CG ASP A 45 -4.425 10.949 -2.025 1.00 2.69 C ATOM 660 OD1 ASP A 45 -5.512 10.462 -2.399 1.00 2.80 O ATOM 661 OD2 ASP A 45 -3.562 11.385 -2.816 1.00 3.24 O ATOM 0 H ASP A 45 -3.197 12.021 1.512 1.00 1.59 H new ATOM 0 HA ASP A 45 -4.769 13.068 -0.581 1.00 1.86 H new ATOM 0 HB2 ASP A 45 -3.059 11.025 -0.381 1.00 2.33 H new ATOM 0 HB3 ASP A 45 -4.518 10.110 -0.059 1.00 2.33 H new ATOM 666 N GLY A 46 -6.375 11.068 1.530 1.00 2.08 N ATOM 667 CA GLY A 46 -7.706 10.711 1.996 1.00 2.49 C ATOM 668 C GLY A 46 -8.250 9.448 1.344 1.00 2.11 C ATOM 669 O GLY A 46 -9.099 8.767 1.923 1.00 2.47 O ATOM 0 H GLY A 46 -5.612 10.602 2.021 1.00 2.08 H new ATOM 0 HA2 GLY A 46 -7.681 10.572 3.077 1.00 2.49 H new ATOM 0 HA3 GLY A 46 -8.388 11.538 1.797 1.00 2.49 H new ATOM 673 N LYS A 47 -7.765 9.131 0.139 1.00 1.87 N ATOM 674 CA LYS A 47 -8.213 7.941 -0.584 1.00 2.32 C ATOM 675 C LYS A 47 -7.754 6.660 0.117 1.00 1.93 C ATOM 676 O LYS A 47 -8.494 5.675 0.165 1.00 1.95 O ATOM 677 CB LYS A 47 -7.694 7.958 -2.025 1.00 2.80 C ATOM 678 CG LYS A 47 -8.522 8.824 -2.964 1.00 3.64 C ATOM 679 CD LYS A 47 -7.798 9.075 -4.279 1.00 4.17 C ATOM 680 CE LYS A 47 -8.774 9.293 -5.426 1.00 5.03 C ATOM 681 NZ LYS A 47 -8.072 9.603 -6.703 1.00 5.67 N ATOM 0 H LYS A 47 -7.063 9.683 -0.354 1.00 1.87 H new ATOM 0 HA LYS A 47 -9.303 7.955 -0.597 1.00 2.32 H new ATOM 0 HB2 LYS A 47 -6.665 8.317 -2.027 1.00 2.80 H new ATOM 0 HB3 LYS A 47 -7.676 6.937 -2.407 1.00 2.80 H new ATOM 0 HG2 LYS A 47 -9.477 8.338 -3.161 1.00 3.64 H new ATOM 0 HG3 LYS A 47 -8.743 9.776 -2.482 1.00 3.64 H new ATOM 0 HD2 LYS A 47 -7.153 9.948 -4.179 1.00 4.17 H new ATOM 0 HD3 LYS A 47 -7.152 8.227 -4.507 1.00 4.17 H new ATOM 0 HE2 LYS A 47 -9.386 8.401 -5.556 1.00 5.03 H new ATOM 0 HE3 LYS A 47 -9.451 10.110 -5.176 1.00 5.03 H new ATOM 0 HZ1 LYS A 47 -8.772 9.744 -7.459 1.00 5.67 H new ATOM 0 HZ2 LYS A 47 -7.508 10.469 -6.588 1.00 5.67 H new ATOM 0 HZ3 LYS A 47 -7.445 8.812 -6.955 1.00 5.67 H new ATOM 695 N LEU A 48 -6.532 6.677 0.657 1.00 1.68 N ATOM 696 CA LEU A 48 -5.984 5.514 1.350 1.00 1.38 C ATOM 697 C LEU A 48 -6.334 5.534 2.839 1.00 1.28 C ATOM 698 O LEU A 48 -6.032 6.497 3.547 1.00 1.35 O ATOM 699 CB LEU A 48 -4.464 5.450 1.174 1.00 1.19 C ATOM 700 CG LEU A 48 -3.854 4.049 1.295 1.00 1.09 C ATOM 701 CD1 LEU A 48 -2.500 3.994 0.605 1.00 1.56 C ATOM 702 CD2 LEU A 48 -3.729 3.644 2.757 1.00 1.06 C ATOM 0 H LEU A 48 -5.907 7.482 0.626 1.00 1.68 H new ATOM 0 HA LEU A 48 -6.433 4.626 0.906 1.00 1.38 H new ATOM 0 HB2 LEU A 48 -4.210 5.857 0.195 1.00 1.19 H new ATOM 0 HB3 LEU A 48 -4.000 6.097 1.918 1.00 1.19 H new ATOM 0 HG LEU A 48 -4.519 3.341 0.800 1.00 1.09 H new ATOM 0 HD11 LEU A 48 -2.083 2.992 0.702 1.00 1.56 H new ATOM 0 HD12 LEU A 48 -2.620 4.237 -0.451 1.00 1.56 H new ATOM 0 HD13 LEU A 48 -1.826 4.714 1.069 1.00 1.56 H new ATOM 0 HD21 LEU A 48 -3.294 2.647 2.822 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -3.087 4.355 3.278 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -4.716 3.640 3.219 1.00 1.06 H new ATOM 714 N GLN A 49 -6.962 4.453 3.301 1.00 1.21 N ATOM 715 CA GLN A 49 -7.350 4.309 4.697 1.00 1.17 C ATOM 716 C GLN A 49 -6.908 2.946 5.231 1.00 1.09 C ATOM 717 O GLN A 49 -6.942 1.952 4.505 1.00 1.14 O ATOM 718 CB GLN A 49 -8.868 4.475 4.849 1.00 1.30 C ATOM 719 CG GLN A 49 -9.687 3.331 4.262 1.00 1.46 C ATOM 720 CD GLN A 49 -9.786 3.393 2.748 1.00 1.45 C ATOM 721 OE1 GLN A 49 -9.174 2.426 2.073 1.00 1.54 O flip ATOM 722 NE2 GLN A 49 -10.404 4.300 2.191 1.00 1.52 N flip ATOM 0 H GLN A 49 -7.214 3.656 2.716 1.00 1.21 H new ATOM 0 HA GLN A 49 -6.856 5.088 5.278 1.00 1.17 H new ATOM 0 HB2 GLN A 49 -9.107 4.571 5.908 1.00 1.30 H new ATOM 0 HB3 GLN A 49 -9.170 5.406 4.369 1.00 1.30 H new ATOM 0 HG2 GLN A 49 -9.237 2.382 4.553 1.00 1.46 H new ATOM 0 HG3 GLN A 49 -10.690 3.353 4.688 1.00 1.46 H new ATOM 0 HE21 GLN A 49 -10.860 5.023 2.747 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -10.460 4.328 1.173 1.00 1.52 H new ATOM 731 N ILE A 50 -6.491 2.905 6.497 1.00 1.06 N ATOM 732 CA ILE A 50 -6.040 1.657 7.119 1.00 1.03 C ATOM 733 C ILE A 50 -7.017 0.511 6.844 1.00 1.05 C ATOM 734 O ILE A 50 -8.212 0.621 7.132 1.00 1.16 O ATOM 735 CB ILE A 50 -5.854 1.809 8.647 1.00 1.08 C ATOM 736 CG1 ILE A 50 -7.104 2.419 9.294 1.00 1.76 C ATOM 737 CG2 ILE A 50 -4.627 2.658 8.952 1.00 1.14 C ATOM 738 CD1 ILE A 50 -7.802 1.485 10.260 1.00 2.56 C ATOM 0 H ILE A 50 -6.456 3.718 7.111 1.00 1.06 H new ATOM 0 HA ILE A 50 -5.075 1.422 6.670 1.00 1.03 H new ATOM 0 HB ILE A 50 -5.704 0.816 9.071 1.00 1.08 H new ATOM 0 HG12 ILE A 50 -6.822 3.330 9.822 1.00 1.76 H new ATOM 0 HG13 ILE A 50 -7.804 2.708 8.511 1.00 1.76 H new ATOM 0 HG21 ILE A 50 -4.511 2.755 10.031 1.00 1.14 H new ATOM 0 HG22 ILE A 50 -3.741 2.181 8.533 1.00 1.14 H new ATOM 0 HG23 ILE A 50 -4.750 3.647 8.510 1.00 1.14 H new ATOM 0 HD11 ILE A 50 -8.677 1.982 10.679 1.00 2.56 H new ATOM 0 HD12 ILE A 50 -8.115 0.584 9.733 1.00 2.56 H new ATOM 0 HD13 ILE A 50 -7.118 1.216 11.064 1.00 2.56 H new ATOM 750 N GLY A 51 -6.505 -0.582 6.272 1.00 1.02 N ATOM 751 CA GLY A 51 -7.342 -1.729 5.951 1.00 1.10 C ATOM 752 C GLY A 51 -7.334 -2.080 4.474 1.00 1.04 C ATOM 753 O GLY A 51 -7.636 -3.218 4.111 1.00 1.03 O ATOM 0 H GLY A 51 -5.521 -0.692 6.025 1.00 1.02 H new ATOM 0 HA2 GLY A 51 -7.002 -2.591 6.525 1.00 1.10 H new ATOM 0 HA3 GLY A 51 -8.366 -1.522 6.263 1.00 1.10 H new ATOM 757 N ASP A 52 -6.984 -1.120 3.611 1.00 1.04 N ATOM 758 CA ASP A 52 -6.936 -1.372 2.179 1.00 1.01 C ATOM 759 C ASP A 52 -5.766 -2.290 1.832 1.00 0.91 C ATOM 760 O ASP A 52 -4.793 -2.391 2.597 1.00 0.88 O ATOM 761 CB ASP A 52 -6.839 -0.060 1.391 1.00 1.03 C ATOM 762 CG ASP A 52 -5.844 0.929 1.967 1.00 1.11 C ATOM 763 OD1 ASP A 52 -4.802 0.497 2.505 1.00 1.55 O ATOM 764 OD2 ASP A 52 -6.110 2.142 1.871 1.00 1.56 O ATOM 0 H ASP A 52 -6.733 -0.170 3.883 1.00 1.04 H new ATOM 0 HA ASP A 52 -7.863 -1.870 1.896 1.00 1.01 H new ATOM 0 HB2 ASP A 52 -6.559 -0.285 0.362 1.00 1.03 H new ATOM 0 HB3 ASP A 52 -7.823 0.407 1.358 1.00 1.03 H new ATOM 769 N LYS A 53 -5.854 -2.947 0.672 1.00 0.88 N ATOM 770 CA LYS A 53 -4.794 -3.845 0.230 1.00 0.82 C ATOM 771 C LYS A 53 -4.070 -3.291 -0.987 1.00 0.76 C ATOM 772 O LYS A 53 -4.651 -2.602 -1.817 1.00 0.87 O ATOM 773 CB LYS A 53 -5.355 -5.231 -0.098 1.00 0.94 C ATOM 774 CG LYS A 53 -6.529 -5.216 -1.067 1.00 1.33 C ATOM 775 CD LYS A 53 -7.839 -5.520 -0.355 1.00 1.83 C ATOM 776 CE LYS A 53 -8.662 -6.552 -1.110 1.00 2.37 C ATOM 777 NZ LYS A 53 -8.161 -7.939 -0.891 1.00 3.23 N ATOM 0 H LYS A 53 -6.643 -2.872 0.030 1.00 0.88 H new ATOM 0 HA LYS A 53 -4.082 -3.931 1.051 1.00 0.82 H new ATOM 0 HB2 LYS A 53 -4.558 -5.843 -0.520 1.00 0.94 H new ATOM 0 HB3 LYS A 53 -5.669 -5.712 0.828 1.00 0.94 H new ATOM 0 HG2 LYS A 53 -6.593 -4.240 -1.549 1.00 1.33 H new ATOM 0 HG3 LYS A 53 -6.362 -5.951 -1.855 1.00 1.33 H new ATOM 0 HD2 LYS A 53 -7.631 -5.885 0.651 1.00 1.83 H new ATOM 0 HD3 LYS A 53 -8.416 -4.602 -0.247 1.00 1.83 H new ATOM 0 HE2 LYS A 53 -9.703 -6.489 -0.792 1.00 2.37 H new ATOM 0 HE3 LYS A 53 -8.640 -6.323 -2.176 1.00 2.37 H new ATOM 0 HZ1 LYS A 53 -8.967 -8.593 -0.824 1.00 3.23 H new ATOM 0 HZ2 LYS A 53 -7.554 -8.219 -1.688 1.00 3.23 H new ATOM 0 HZ3 LYS A 53 -7.612 -7.974 -0.009 1.00 3.23 H new ATOM 791 N LEU A 54 -2.791 -3.605 -1.069 1.00 0.64 N ATOM 792 CA LEU A 54 -1.965 -3.137 -2.169 1.00 0.66 C ATOM 793 C LEU A 54 -1.894 -4.166 -3.289 1.00 0.64 C ATOM 794 O LEU A 54 -1.160 -5.153 -3.204 1.00 0.79 O ATOM 795 CB LEU A 54 -0.564 -2.762 -1.679 1.00 0.73 C ATOM 796 CG LEU A 54 -0.243 -1.265 -1.769 1.00 0.83 C ATOM 797 CD1 LEU A 54 0.937 -0.907 -0.877 1.00 1.11 C ATOM 798 CD2 LEU A 54 0.033 -0.870 -3.213 1.00 1.72 C ATOM 0 H LEU A 54 -2.300 -4.183 -0.387 1.00 0.64 H new ATOM 0 HA LEU A 54 -2.433 -2.241 -2.576 1.00 0.66 H new ATOM 0 HB2 LEU A 54 -0.456 -3.083 -0.643 1.00 0.73 H new ATOM 0 HB3 LEU A 54 0.172 -3.315 -2.262 1.00 0.73 H new ATOM 0 HG LEU A 54 -1.110 -0.706 -1.417 1.00 0.83 H new ATOM 0 HD11 LEU A 54 1.144 0.160 -0.959 1.00 1.11 H new ATOM 0 HD12 LEU A 54 0.698 -1.152 0.158 1.00 1.11 H new ATOM 0 HD13 LEU A 54 1.815 -1.472 -1.190 1.00 1.11 H new ATOM 0 HD21 LEU A 54 0.259 0.195 -3.262 1.00 1.72 H new ATOM 0 HD22 LEU A 54 0.883 -1.439 -3.590 1.00 1.72 H new ATOM 0 HD23 LEU A 54 -0.845 -1.083 -3.823 1.00 1.72 H new ATOM 810 N LEU A 55 -2.659 -3.905 -4.347 1.00 0.56 N ATOM 811 CA LEU A 55 -2.696 -4.774 -5.511 1.00 0.58 C ATOM 812 C LEU A 55 -1.367 -4.707 -6.252 1.00 0.54 C ATOM 813 O LEU A 55 -0.767 -5.740 -6.551 1.00 0.56 O ATOM 814 CB LEU A 55 -3.843 -4.369 -6.444 1.00 0.66 C ATOM 815 CG LEU A 55 -3.951 -5.175 -7.742 1.00 0.91 C ATOM 816 CD1 LEU A 55 -4.422 -6.592 -7.453 1.00 1.27 C ATOM 817 CD2 LEU A 55 -4.893 -4.485 -8.719 1.00 1.87 C ATOM 0 H LEU A 55 -3.266 -3.088 -4.417 1.00 0.56 H new ATOM 0 HA LEU A 55 -2.865 -5.798 -5.179 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -4.782 -4.463 -5.899 1.00 0.66 H new ATOM 0 HB3 LEU A 55 -3.726 -3.316 -6.699 1.00 0.66 H new ATOM 0 HG LEU A 55 -2.962 -5.230 -8.198 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -4.493 -7.149 -8.387 1.00 1.27 H new ATOM 0 HD12 LEU A 55 -3.710 -7.084 -6.790 1.00 1.27 H new ATOM 0 HD13 LEU A 55 -5.401 -6.560 -6.975 1.00 1.27 H new ATOM 0 HD21 LEU A 55 -4.959 -5.070 -9.636 1.00 1.87 H new ATOM 0 HD22 LEU A 55 -5.883 -4.400 -8.271 1.00 1.87 H new ATOM 0 HD23 LEU A 55 -4.513 -3.490 -8.950 1.00 1.87 H new ATOM 829 N ALA A 56 -0.910 -3.484 -6.550 1.00 0.51 N ATOM 830 CA ALA A 56 0.356 -3.310 -7.261 1.00 0.49 C ATOM 831 C ALA A 56 1.036 -1.978 -6.912 1.00 0.53 C ATOM 832 O ALA A 56 0.377 -1.006 -6.550 1.00 0.67 O ATOM 833 CB ALA A 56 0.120 -3.404 -8.769 1.00 0.54 C ATOM 0 H ALA A 56 -1.391 -2.616 -6.313 1.00 0.51 H new ATOM 0 HA ALA A 56 1.027 -4.108 -6.944 1.00 0.49 H new ATOM 0 HB1 ALA A 56 1.066 -3.274 -9.294 1.00 0.54 H new ATOM 0 HB2 ALA A 56 -0.298 -4.381 -9.012 1.00 0.54 H new ATOM 0 HB3 ALA A 56 -0.577 -2.624 -9.078 1.00 0.54 H new ATOM 839 N VAL A 57 2.367 -1.949 -7.029 1.00 0.50 N ATOM 840 CA VAL A 57 3.147 -0.747 -6.739 1.00 0.59 C ATOM 841 C VAL A 57 4.099 -0.421 -7.891 1.00 0.53 C ATOM 842 O VAL A 57 5.120 -1.085 -8.073 1.00 0.52 O ATOM 843 CB VAL A 57 3.960 -0.893 -5.435 1.00 0.77 C ATOM 844 CG1 VAL A 57 4.770 0.367 -5.160 1.00 1.42 C ATOM 845 CG2 VAL A 57 3.043 -1.202 -4.263 1.00 1.47 C ATOM 0 H VAL A 57 2.927 -2.749 -7.324 1.00 0.50 H new ATOM 0 HA VAL A 57 2.434 0.068 -6.615 1.00 0.59 H new ATOM 0 HB VAL A 57 4.653 -1.725 -5.559 1.00 0.77 H new ATOM 0 HG11 VAL A 57 5.335 0.242 -4.236 1.00 1.42 H new ATOM 0 HG12 VAL A 57 5.459 0.544 -5.986 1.00 1.42 H new ATOM 0 HG13 VAL A 57 4.096 1.218 -5.061 1.00 1.42 H new ATOM 0 HG21 VAL A 57 3.636 -1.301 -3.354 1.00 1.47 H new ATOM 0 HG22 VAL A 57 2.323 -0.392 -4.141 1.00 1.47 H new ATOM 0 HG23 VAL A 57 2.511 -2.134 -4.453 1.00 1.47 H new ATOM 855 N ASN A 58 3.758 0.614 -8.662 1.00 0.57 N ATOM 856 CA ASN A 58 4.577 1.045 -9.798 1.00 0.58 C ATOM 857 C ASN A 58 4.721 -0.066 -10.846 1.00 0.59 C ATOM 858 O ASN A 58 5.828 -0.362 -11.303 1.00 0.60 O ATOM 859 CB ASN A 58 5.958 1.510 -9.316 1.00 0.57 C ATOM 860 CG ASN A 58 5.886 2.787 -8.496 1.00 0.80 C ATOM 861 OD1 ASN A 58 5.562 2.759 -7.309 1.00 1.39 O ATOM 862 ND2 ASN A 58 6.186 3.918 -9.128 1.00 1.49 N ATOM 0 H ASN A 58 2.916 1.172 -8.519 1.00 0.57 H new ATOM 0 HA ASN A 58 4.068 1.883 -10.274 1.00 0.58 H new ATOM 0 HB2 ASN A 58 6.415 0.722 -8.717 1.00 0.57 H new ATOM 0 HB3 ASN A 58 6.605 1.671 -10.178 1.00 0.57 H new ATOM 0 HD21 ASN A 58 6.152 4.806 -8.628 1.00 1.49 H new ATOM 0 HD22 ASN A 58 6.450 3.897 -10.113 1.00 1.49 H new ATOM 869 N ASN A 59 3.584 -0.668 -11.222 1.00 0.60 N ATOM 870 CA ASN A 59 3.541 -1.743 -12.227 1.00 0.65 C ATOM 871 C ASN A 59 3.818 -3.133 -11.634 1.00 0.61 C ATOM 872 O ASN A 59 3.482 -4.143 -12.256 1.00 0.67 O ATOM 873 CB ASN A 59 4.522 -1.462 -13.374 1.00 0.71 C ATOM 874 CG ASN A 59 4.033 -2.008 -14.703 1.00 1.18 C ATOM 875 OD1 ASN A 59 3.059 -1.512 -15.269 1.00 1.74 O ATOM 876 ND2 ASN A 59 4.707 -3.037 -15.208 1.00 1.52 N ATOM 0 H ASN A 59 2.670 -0.425 -10.840 1.00 0.60 H new ATOM 0 HA ASN A 59 2.522 -1.753 -12.613 1.00 0.65 H new ATOM 0 HB2 ASN A 59 4.676 -0.386 -13.461 1.00 0.71 H new ATOM 0 HB3 ASN A 59 5.490 -1.904 -13.137 1.00 0.71 H new ATOM 0 HD21 ASN A 59 4.422 -3.446 -16.098 1.00 1.52 H new ATOM 0 HD22 ASN A 59 5.509 -3.417 -14.705 1.00 1.52 H new ATOM 883 N VAL A 60 4.411 -3.196 -10.438 1.00 0.53 N ATOM 884 CA VAL A 60 4.697 -4.482 -9.795 1.00 0.52 C ATOM 885 C VAL A 60 3.534 -4.895 -8.900 1.00 0.51 C ATOM 886 O VAL A 60 2.838 -4.044 -8.366 1.00 0.50 O ATOM 887 CB VAL A 60 6.000 -4.441 -8.955 1.00 0.50 C ATOM 888 CG1 VAL A 60 7.111 -3.719 -9.706 1.00 0.51 C ATOM 889 CG2 VAL A 60 5.762 -3.794 -7.594 1.00 0.54 C ATOM 0 H VAL A 60 4.700 -2.379 -9.899 1.00 0.53 H new ATOM 0 HA VAL A 60 4.833 -5.213 -10.592 1.00 0.52 H new ATOM 0 HB VAL A 60 6.315 -5.471 -8.786 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.013 -3.704 -9.095 1.00 0.51 H new ATOM 0 HG12 VAL A 60 7.315 -4.239 -10.642 1.00 0.51 H new ATOM 0 HG13 VAL A 60 6.801 -2.696 -9.919 1.00 0.51 H new ATOM 0 HG21 VAL A 60 6.694 -3.780 -7.030 1.00 0.54 H new ATOM 0 HG22 VAL A 60 5.408 -2.773 -7.734 1.00 0.54 H new ATOM 0 HG23 VAL A 60 5.014 -4.366 -7.045 1.00 0.54 H new ATOM 899 N CYS A 61 3.323 -6.198 -8.729 1.00 0.53 N ATOM 900 CA CYS A 61 2.232 -6.676 -7.880 1.00 0.54 C ATOM 901 C CYS A 61 2.693 -6.806 -6.431 1.00 0.58 C ATOM 902 O CYS A 61 3.703 -7.451 -6.145 1.00 0.72 O ATOM 903 CB CYS A 61 1.684 -8.009 -8.387 1.00 0.56 C ATOM 904 SG CYS A 61 2.902 -9.346 -8.450 1.00 0.71 S ATOM 0 H CYS A 61 3.884 -6.933 -9.160 1.00 0.53 H new ATOM 0 HA CYS A 61 1.429 -5.941 -7.923 1.00 0.54 H new ATOM 0 HB2 CYS A 61 0.859 -8.316 -7.744 1.00 0.56 H new ATOM 0 HB3 CYS A 61 1.273 -7.862 -9.386 1.00 0.56 H new ATOM 0 HG CYS A 61 3.781 -9.177 -7.507 1.00 0.71 H new ATOM 910 N LEU A 62 1.931 -6.203 -5.517 1.00 0.55 N ATOM 911 CA LEU A 62 2.238 -6.265 -4.092 1.00 0.62 C ATOM 912 C LEU A 62 1.331 -7.271 -3.365 1.00 0.58 C ATOM 913 O LEU A 62 0.978 -7.079 -2.193 1.00 0.51 O ATOM 914 CB LEU A 62 2.126 -4.871 -3.474 1.00 0.77 C ATOM 915 CG LEU A 62 3.229 -4.523 -2.472 1.00 0.95 C ATOM 916 CD1 LEU A 62 4.592 -4.515 -3.152 1.00 1.71 C ATOM 917 CD2 LEU A 62 2.954 -3.180 -1.818 1.00 1.08 C ATOM 0 H LEU A 62 1.094 -5.665 -5.742 1.00 0.55 H new ATOM 0 HA LEU A 62 3.263 -6.617 -3.975 1.00 0.62 H new ATOM 0 HB2 LEU A 62 2.136 -4.132 -4.275 1.00 0.77 H new ATOM 0 HB3 LEU A 62 1.161 -4.787 -2.974 1.00 0.77 H new ATOM 0 HG LEU A 62 3.237 -5.289 -1.696 1.00 0.95 H new ATOM 0 HD11 LEU A 62 5.362 -4.265 -2.422 1.00 1.71 H new ATOM 0 HD12 LEU A 62 4.795 -5.501 -3.571 1.00 1.71 H new ATOM 0 HD13 LEU A 62 4.596 -3.773 -3.951 1.00 1.71 H new ATOM 0 HD21 LEU A 62 3.750 -2.951 -1.109 1.00 1.08 H new ATOM 0 HD22 LEU A 62 2.915 -2.404 -2.583 1.00 1.08 H new ATOM 0 HD23 LEU A 62 2.000 -3.220 -1.292 1.00 1.08 H new ATOM 929 N GLU A 63 0.932 -8.328 -4.078 1.00 0.72 N ATOM 930 CA GLU A 63 0.050 -9.351 -3.521 1.00 0.80 C ATOM 931 C GLU A 63 0.753 -10.707 -3.375 1.00 0.95 C ATOM 932 O GLU A 63 0.294 -11.563 -2.618 1.00 1.83 O ATOM 933 CB GLU A 63 -1.192 -9.506 -4.404 1.00 0.86 C ATOM 934 CG GLU A 63 -2.499 -9.508 -3.627 1.00 1.12 C ATOM 935 CD GLU A 63 -3.372 -8.306 -3.941 1.00 1.31 C ATOM 936 OE1 GLU A 63 -3.178 -7.248 -3.305 1.00 1.65 O ATOM 937 OE2 GLU A 63 -4.250 -8.423 -4.820 1.00 1.96 O ATOM 0 H GLU A 63 1.208 -8.496 -5.045 1.00 0.72 H new ATOM 0 HA GLU A 63 -0.240 -9.022 -2.523 1.00 0.80 H new ATOM 0 HB2 GLU A 63 -1.213 -8.694 -5.131 1.00 0.86 H new ATOM 0 HB3 GLU A 63 -1.113 -10.436 -4.967 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -3.050 -10.421 -3.854 1.00 1.12 H new ATOM 0 HG3 GLU A 63 -2.281 -9.524 -2.559 1.00 1.12 H new ATOM 944 N GLU A 64 1.860 -10.905 -4.102 1.00 1.04 N ATOM 945 CA GLU A 64 2.600 -12.167 -4.041 1.00 1.08 C ATOM 946 C GLU A 64 4.070 -11.941 -3.665 1.00 0.90 C ATOM 947 O GLU A 64 4.974 -12.514 -4.278 1.00 0.96 O ATOM 948 CB GLU A 64 2.497 -12.894 -5.383 1.00 1.28 C ATOM 949 CG GLU A 64 1.685 -14.179 -5.322 1.00 1.53 C ATOM 950 CD GLU A 64 0.195 -13.935 -5.461 1.00 2.14 C ATOM 951 OE1 GLU A 64 -0.296 -13.891 -6.610 1.00 2.40 O ATOM 952 OE2 GLU A 64 -0.484 -13.784 -4.423 1.00 2.93 O ATOM 0 H GLU A 64 2.259 -10.211 -4.734 1.00 1.04 H new ATOM 0 HA GLU A 64 2.154 -12.785 -3.261 1.00 1.08 H new ATOM 0 HB2 GLU A 64 2.046 -12.224 -6.115 1.00 1.28 H new ATOM 0 HB3 GLU A 64 3.501 -13.126 -5.739 1.00 1.28 H new ATOM 0 HG2 GLU A 64 2.015 -14.851 -6.115 1.00 1.53 H new ATOM 0 HG3 GLU A 64 1.880 -14.683 -4.375 1.00 1.53 H new ATOM 959 N VAL A 65 4.302 -11.102 -2.653 1.00 0.80 N ATOM 960 CA VAL A 65 5.664 -10.806 -2.203 1.00 0.64 C ATOM 961 C VAL A 65 5.772 -10.752 -0.683 1.00 0.64 C ATOM 962 O VAL A 65 4.786 -10.512 0.017 1.00 0.70 O ATOM 963 CB VAL A 65 6.183 -9.467 -2.771 1.00 0.56 C ATOM 964 CG1 VAL A 65 6.404 -9.567 -4.272 1.00 0.64 C ATOM 965 CG2 VAL A 65 5.227 -8.326 -2.439 1.00 0.59 C ATOM 0 H VAL A 65 3.570 -10.618 -2.133 1.00 0.80 H new ATOM 0 HA VAL A 65 6.276 -11.626 -2.580 1.00 0.64 H new ATOM 0 HB VAL A 65 7.142 -9.250 -2.300 1.00 0.56 H new ATOM 0 HG11 VAL A 65 6.770 -8.612 -4.650 1.00 0.64 H new ATOM 0 HG12 VAL A 65 7.138 -10.345 -4.481 1.00 0.64 H new ATOM 0 HG13 VAL A 65 5.463 -9.815 -4.763 1.00 0.64 H new ATOM 0 HG21 VAL A 65 5.616 -7.394 -2.850 1.00 0.59 H new ATOM 0 HG22 VAL A 65 4.248 -8.534 -2.872 1.00 0.59 H new ATOM 0 HG23 VAL A 65 5.133 -8.234 -1.357 1.00 0.59 H new ATOM 975 N THR A 66 6.995 -10.952 -0.188 1.00 0.63 N ATOM 976 CA THR A 66 7.267 -10.904 1.248 1.00 0.69 C ATOM 977 C THR A 66 7.135 -9.466 1.751 1.00 0.61 C ATOM 978 O THR A 66 6.672 -8.585 1.018 1.00 0.66 O ATOM 979 CB THR A 66 8.672 -11.447 1.559 1.00 0.74 C ATOM 980 OG1 THR A 66 9.324 -11.898 0.384 1.00 1.53 O ATOM 981 CG2 THR A 66 8.665 -12.594 2.545 1.00 1.17 C ATOM 0 H THR A 66 7.814 -11.149 -0.763 1.00 0.63 H new ATOM 0 HA THR A 66 6.539 -11.534 1.760 1.00 0.69 H new ATOM 0 HB THR A 66 9.205 -10.605 2.000 1.00 0.74 H new ATOM 0 HG1 THR A 66 10.215 -12.236 0.613 1.00 1.53 H new ATOM 0 HG21 THR A 66 9.687 -12.930 2.720 1.00 1.17 H new ATOM 0 HG22 THR A 66 8.226 -12.262 3.486 1.00 1.17 H new ATOM 0 HG23 THR A 66 8.077 -13.418 2.141 1.00 1.17 H new ATOM 989 N HIS A 67 7.554 -9.214 2.990 1.00 0.51 N ATOM 990 CA HIS A 67 7.472 -7.864 3.529 1.00 0.45 C ATOM 991 C HIS A 67 8.574 -6.988 2.940 1.00 0.43 C ATOM 992 O HIS A 67 8.341 -5.817 2.641 1.00 0.41 O ATOM 993 CB HIS A 67 7.493 -7.845 5.060 1.00 0.45 C ATOM 994 CG HIS A 67 7.120 -6.504 5.608 1.00 0.46 C ATOM 995 ND1 HIS A 67 7.821 -5.348 5.691 1.00 0.51 N flip ATOM 996 CD2 HIS A 67 5.861 -6.216 6.086 1.00 0.49 C flip ATOM 997 CE1 HIS A 67 6.979 -4.394 6.202 1.00 0.54 C flip ATOM 998 NE2 HIS A 67 5.803 -4.945 6.430 1.00 0.52 N flip ATOM 0 H HIS A 67 7.944 -9.911 3.624 1.00 0.51 H new ATOM 0 HA HIS A 67 6.508 -7.449 3.233 1.00 0.45 H new ATOM 0 HB2 HIS A 67 6.803 -8.597 5.442 1.00 0.45 H new ATOM 0 HB3 HIS A 67 8.488 -8.117 5.413 1.00 0.45 H new ATOM 0 HD1 HIS A 67 8.796 -5.212 5.423 1.00 0.51 H new ATOM 0 HD2 HIS A 67 5.048 -6.922 6.166 1.00 0.49 H new ATOM 0 HE1 HIS A 67 7.237 -3.362 6.387 1.00 0.54 H new ATOM 1007 N GLU A 68 9.770 -7.558 2.764 1.00 0.45 N ATOM 1008 CA GLU A 68 10.893 -6.814 2.191 1.00 0.45 C ATOM 1009 C GLU A 68 10.473 -6.142 0.882 1.00 0.42 C ATOM 1010 O GLU A 68 10.769 -4.968 0.660 1.00 0.41 O ATOM 1011 CB GLU A 68 12.101 -7.735 1.952 1.00 0.49 C ATOM 1012 CG GLU A 68 11.747 -9.096 1.365 1.00 1.43 C ATOM 1013 CD GLU A 68 11.926 -10.228 2.359 1.00 2.13 C ATOM 1014 OE1 GLU A 68 11.157 -10.286 3.341 1.00 2.90 O ATOM 1015 OE2 GLU A 68 12.837 -11.058 2.156 1.00 2.59 O ATOM 0 H GLU A 68 9.984 -8.525 3.008 1.00 0.45 H new ATOM 0 HA GLU A 68 11.188 -6.045 2.905 1.00 0.45 H new ATOM 0 HB2 GLU A 68 12.798 -7.233 1.281 1.00 0.49 H new ATOM 0 HB3 GLU A 68 12.621 -7.885 2.898 1.00 0.49 H new ATOM 0 HG2 GLU A 68 10.713 -9.081 1.021 1.00 1.43 H new ATOM 0 HG3 GLU A 68 12.371 -9.283 0.491 1.00 1.43 H new ATOM 1022 N GLU A 69 9.761 -6.889 0.032 1.00 0.44 N ATOM 1023 CA GLU A 69 9.276 -6.359 -1.243 1.00 0.43 C ATOM 1024 C GLU A 69 8.182 -5.313 -1.007 1.00 0.41 C ATOM 1025 O GLU A 69 8.102 -4.317 -1.728 1.00 0.41 O ATOM 1026 CB GLU A 69 8.749 -7.486 -2.137 1.00 0.46 C ATOM 1027 CG GLU A 69 9.292 -7.437 -3.559 1.00 0.76 C ATOM 1028 CD GLU A 69 8.858 -6.187 -4.306 1.00 1.07 C ATOM 1029 OE1 GLU A 69 7.760 -6.201 -4.904 1.00 1.70 O ATOM 1030 OE2 GLU A 69 9.616 -5.193 -4.290 1.00 1.84 O ATOM 0 H GLU A 69 9.509 -7.862 0.205 1.00 0.44 H new ATOM 0 HA GLU A 69 10.113 -5.881 -1.752 1.00 0.43 H new ATOM 0 HB2 GLU A 69 9.009 -8.445 -1.690 1.00 0.46 H new ATOM 0 HB3 GLU A 69 7.661 -7.434 -2.170 1.00 0.46 H new ATOM 0 HG2 GLU A 69 10.381 -7.479 -3.530 1.00 0.76 H new ATOM 0 HG3 GLU A 69 8.953 -8.318 -4.104 1.00 0.76 H new ATOM 1037 N ALA A 70 7.360 -5.537 0.027 1.00 0.41 N ATOM 1038 CA ALA A 70 6.288 -4.608 0.389 1.00 0.41 C ATOM 1039 C ALA A 70 6.854 -3.218 0.685 1.00 0.40 C ATOM 1040 O ALA A 70 6.323 -2.204 0.233 1.00 0.42 O ATOM 1041 CB ALA A 70 5.542 -5.127 1.610 1.00 0.44 C ATOM 0 H ALA A 70 7.420 -6.359 0.628 1.00 0.41 H new ATOM 0 HA ALA A 70 5.600 -4.533 -0.453 1.00 0.41 H new ATOM 0 HB1 ALA A 70 4.746 -4.430 1.873 1.00 0.44 H new ATOM 0 HB2 ALA A 70 5.111 -6.103 1.385 1.00 0.44 H new ATOM 0 HB3 ALA A 70 6.234 -5.220 2.447 1.00 0.44 H new ATOM 1047 N VAL A 71 7.954 -3.191 1.437 1.00 0.40 N ATOM 1048 CA VAL A 71 8.621 -1.943 1.794 1.00 0.42 C ATOM 1049 C VAL A 71 9.512 -1.443 0.656 1.00 0.41 C ATOM 1050 O VAL A 71 9.634 -0.238 0.445 1.00 0.42 O ATOM 1051 CB VAL A 71 9.464 -2.099 3.081 1.00 0.48 C ATOM 1052 CG1 VAL A 71 10.382 -0.902 3.290 1.00 0.52 C ATOM 1053 CG2 VAL A 71 8.559 -2.294 4.289 1.00 0.50 C ATOM 0 H VAL A 71 8.403 -4.026 1.812 1.00 0.40 H new ATOM 0 HA VAL A 71 7.837 -1.208 1.977 1.00 0.42 H new ATOM 0 HB VAL A 71 10.090 -2.984 2.966 1.00 0.48 H new ATOM 0 HG11 VAL A 71 10.961 -1.042 4.203 1.00 0.52 H new ATOM 0 HG12 VAL A 71 11.060 -0.811 2.441 1.00 0.52 H new ATOM 0 HG13 VAL A 71 9.783 0.005 3.376 1.00 0.52 H new ATOM 0 HG21 VAL A 71 9.168 -2.402 5.186 1.00 0.50 H new ATOM 0 HG22 VAL A 71 7.905 -1.429 4.397 1.00 0.50 H new ATOM 0 HG23 VAL A 71 7.955 -3.191 4.150 1.00 0.50 H new ATOM 1063 N THR A 72 10.125 -2.376 -0.076 1.00 0.43 N ATOM 1064 CA THR A 72 10.999 -2.027 -1.192 1.00 0.47 C ATOM 1065 C THR A 72 10.224 -1.291 -2.285 1.00 0.42 C ATOM 1066 O THR A 72 10.745 -0.360 -2.899 1.00 0.44 O ATOM 1067 CB THR A 72 11.661 -3.287 -1.769 1.00 0.53 C ATOM 1068 OG1 THR A 72 12.660 -3.775 -0.889 1.00 0.60 O ATOM 1069 CG2 THR A 72 12.317 -3.066 -3.120 1.00 0.61 C ATOM 0 H THR A 72 10.031 -3.379 0.086 1.00 0.43 H new ATOM 0 HA THR A 72 11.776 -1.361 -0.816 1.00 0.47 H new ATOM 0 HB THR A 72 10.848 -4.003 -1.891 1.00 0.53 H new ATOM 0 HG1 THR A 72 12.237 -4.273 -0.159 1.00 0.60 H new ATOM 0 HG21 THR A 72 12.763 -3.999 -3.465 1.00 0.61 H new ATOM 0 HG22 THR A 72 11.567 -2.735 -3.839 1.00 0.61 H new ATOM 0 HG23 THR A 72 13.092 -2.305 -3.028 1.00 0.61 H new ATOM 1077 N ALA A 73 8.984 -1.716 -2.527 1.00 0.37 N ATOM 1078 CA ALA A 73 8.140 -1.105 -3.548 1.00 0.36 C ATOM 1079 C ALA A 73 7.558 0.215 -3.058 1.00 0.34 C ATOM 1080 O ALA A 73 7.425 1.163 -3.834 1.00 0.36 O ATOM 1081 CB ALA A 73 7.026 -2.059 -3.953 1.00 0.41 C ATOM 0 H ALA A 73 8.542 -2.486 -2.025 1.00 0.37 H new ATOM 0 HA ALA A 73 8.759 -0.898 -4.421 1.00 0.36 H new ATOM 0 HB1 ALA A 73 6.404 -1.590 -4.715 1.00 0.41 H new ATOM 0 HB2 ALA A 73 7.459 -2.976 -4.352 1.00 0.41 H new ATOM 0 HB3 ALA A 73 6.415 -2.296 -3.082 1.00 0.41 H new ATOM 1087 N LEU A 74 7.237 0.286 -1.762 1.00 0.33 N ATOM 1088 CA LEU A 74 6.698 1.508 -1.178 1.00 0.37 C ATOM 1089 C LEU A 74 7.797 2.561 -1.060 1.00 0.38 C ATOM 1090 O LEU A 74 7.531 3.761 -1.134 1.00 0.44 O ATOM 1091 CB LEU A 74 6.109 1.221 0.207 1.00 0.41 C ATOM 1092 CG LEU A 74 4.727 0.556 0.223 1.00 0.61 C ATOM 1093 CD1 LEU A 74 3.628 1.600 0.327 1.00 1.73 C ATOM 1094 CD2 LEU A 74 4.518 -0.313 -1.008 1.00 1.13 C ATOM 0 H LEU A 74 7.342 -0.487 -1.104 1.00 0.33 H new ATOM 0 HA LEU A 74 5.908 1.884 -1.828 1.00 0.37 H new ATOM 0 HB2 LEU A 74 6.805 0.582 0.751 1.00 0.41 H new ATOM 0 HB3 LEU A 74 6.045 2.161 0.755 1.00 0.41 H new ATOM 0 HG LEU A 74 4.680 -0.087 1.102 1.00 0.61 H new ATOM 0 HD11 LEU A 74 2.656 1.106 0.337 1.00 1.73 H new ATOM 0 HD12 LEU A 74 3.754 2.171 1.247 1.00 1.73 H new ATOM 0 HD13 LEU A 74 3.684 2.274 -0.528 1.00 1.73 H new ATOM 0 HD21 LEU A 74 3.529 -0.770 -0.967 1.00 1.13 H new ATOM 0 HD22 LEU A 74 4.597 0.302 -1.905 1.00 1.13 H new ATOM 0 HD23 LEU A 74 5.278 -1.094 -1.035 1.00 1.13 H new ATOM 1106 N LYS A 75 9.034 2.095 -0.873 1.00 0.38 N ATOM 1107 CA LYS A 75 10.184 2.994 -0.741 1.00 0.47 C ATOM 1108 C LYS A 75 10.833 3.300 -2.099 1.00 0.49 C ATOM 1109 O LYS A 75 11.568 4.281 -2.228 1.00 0.59 O ATOM 1110 CB LYS A 75 11.220 2.399 0.222 1.00 0.57 C ATOM 1111 CG LYS A 75 12.125 1.349 -0.406 1.00 0.64 C ATOM 1112 CD LYS A 75 12.745 0.442 0.645 1.00 1.05 C ATOM 1113 CE LYS A 75 13.693 1.206 1.557 1.00 0.88 C ATOM 1114 NZ LYS A 75 14.800 0.345 2.058 1.00 1.44 N ATOM 0 H LYS A 75 9.265 1.104 -0.810 1.00 0.38 H new ATOM 0 HA LYS A 75 9.816 3.936 -0.334 1.00 0.47 H new ATOM 0 HB2 LYS A 75 11.838 3.206 0.617 1.00 0.57 H new ATOM 0 HB3 LYS A 75 10.698 1.953 1.069 1.00 0.57 H new ATOM 0 HG2 LYS A 75 11.551 0.749 -1.112 1.00 0.64 H new ATOM 0 HG3 LYS A 75 12.915 1.841 -0.974 1.00 0.64 H new ATOM 0 HD2 LYS A 75 11.956 -0.016 1.241 1.00 1.05 H new ATOM 0 HD3 LYS A 75 13.285 -0.368 0.154 1.00 1.05 H new ATOM 0 HE2 LYS A 75 14.111 2.055 1.016 1.00 0.88 H new ATOM 0 HE3 LYS A 75 13.136 1.609 2.403 1.00 0.88 H new ATOM 0 HZ1 LYS A 75 15.423 0.904 2.675 1.00 1.44 H new ATOM 0 HZ2 LYS A 75 14.404 -0.452 2.596 1.00 1.44 H new ATOM 0 HZ3 LYS A 75 15.348 -0.020 1.253 1.00 1.44 H new ATOM 1128 N ASN A 76 10.561 2.460 -3.106 1.00 0.48 N ATOM 1129 CA ASN A 76 11.119 2.645 -4.449 1.00 0.59 C ATOM 1130 C ASN A 76 10.767 4.021 -5.029 1.00 0.69 C ATOM 1131 O ASN A 76 11.501 4.548 -5.869 1.00 1.15 O ATOM 1132 CB ASN A 76 10.615 1.542 -5.388 1.00 0.64 C ATOM 1133 CG ASN A 76 11.264 1.599 -6.759 1.00 0.85 C ATOM 1134 OD1 ASN A 76 12.429 1.234 -6.921 1.00 0.90 O ATOM 1135 ND2 ASN A 76 10.513 2.058 -7.755 1.00 1.55 N ATOM 0 H ASN A 76 9.956 1.644 -3.014 1.00 0.48 H new ATOM 0 HA ASN A 76 12.204 2.585 -4.363 1.00 0.59 H new ATOM 0 HB2 ASN A 76 10.811 0.569 -4.938 1.00 0.64 H new ATOM 0 HB3 ASN A 76 9.534 1.630 -5.498 1.00 0.64 H new ATOM 0 HD21 ASN A 76 10.898 2.118 -8.698 1.00 1.55 H new ATOM 0 HD22 ASN A 76 9.552 2.350 -7.577 1.00 1.55 H new ATOM 1142 N THR A 77 9.637 4.585 -4.581 1.00 0.90 N ATOM 1143 CA THR A 77 9.157 5.894 -5.043 1.00 1.07 C ATOM 1144 C THR A 77 10.305 6.859 -5.367 1.00 0.80 C ATOM 1145 O THR A 77 11.139 7.162 -4.511 1.00 1.47 O ATOM 1146 CB THR A 77 8.235 6.520 -3.989 1.00 2.00 C ATOM 1147 OG1 THR A 77 8.904 6.653 -2.744 1.00 2.60 O ATOM 1148 CG2 THR A 77 6.971 5.722 -3.748 1.00 2.53 C ATOM 0 H THR A 77 9.030 4.146 -3.888 1.00 0.90 H new ATOM 0 HA THR A 77 8.603 5.724 -5.966 1.00 1.07 H new ATOM 0 HB THR A 77 7.960 7.494 -4.393 1.00 2.00 H new ATOM 0 HG1 THR A 77 9.838 6.907 -2.900 1.00 2.60 H new ATOM 0 HG21 THR A 77 6.365 6.220 -2.992 1.00 2.53 H new ATOM 0 HG22 THR A 77 6.405 5.648 -4.676 1.00 2.53 H new ATOM 0 HG23 THR A 77 7.232 4.722 -3.402 1.00 2.53 H new ATOM 1156 N SER A 78 10.321 7.340 -6.611 1.00 1.14 N ATOM 1157 CA SER A 78 11.345 8.279 -7.071 1.00 1.74 C ATOM 1158 C SER A 78 10.757 9.686 -7.194 1.00 1.42 C ATOM 1159 O SER A 78 10.795 10.462 -6.238 1.00 1.44 O ATOM 1160 CB SER A 78 11.936 7.815 -8.409 1.00 2.76 C ATOM 1161 OG SER A 78 12.811 6.716 -8.226 1.00 3.36 O ATOM 0 H SER A 78 9.632 7.093 -7.322 1.00 1.14 H new ATOM 0 HA SER A 78 12.150 8.307 -6.336 1.00 1.74 H new ATOM 0 HB2 SER A 78 11.131 7.534 -9.088 1.00 2.76 H new ATOM 0 HB3 SER A 78 12.475 8.639 -8.877 1.00 2.76 H new ATOM 0 HG SER A 78 13.173 6.438 -9.093 1.00 3.36 H new ATOM 1167 N ASP A 79 10.192 10.005 -8.362 1.00 1.32 N ATOM 1168 CA ASP A 79 9.573 11.310 -8.587 1.00 1.18 C ATOM 1169 C ASP A 79 8.097 11.252 -8.193 1.00 0.99 C ATOM 1170 O ASP A 79 7.604 12.106 -7.454 1.00 0.92 O ATOM 1171 CB ASP A 79 9.711 11.727 -10.056 1.00 1.46 C ATOM 1172 CG ASP A 79 9.272 13.160 -10.293 1.00 1.61 C ATOM 1173 OD1 ASP A 79 8.065 13.379 -10.533 1.00 2.23 O ATOM 1174 OD2 ASP A 79 10.133 14.063 -10.234 1.00 2.07 O ATOM 0 H ASP A 79 10.152 9.377 -9.164 1.00 1.32 H new ATOM 0 HA ASP A 79 10.082 12.052 -7.972 1.00 1.18 H new ATOM 0 HB2 ASP A 79 10.749 11.611 -10.368 1.00 1.46 H new ATOM 0 HB3 ASP A 79 9.115 11.059 -10.678 1.00 1.46 H new ATOM 1179 N PHE A 80 7.411 10.222 -8.686 1.00 0.97 N ATOM 1180 CA PHE A 80 5.998 10.003 -8.392 1.00 0.85 C ATOM 1181 C PHE A 80 5.782 8.566 -7.929 1.00 0.82 C ATOM 1182 O PHE A 80 6.700 7.745 -8.002 1.00 0.92 O ATOM 1183 CB PHE A 80 5.141 10.293 -9.627 1.00 0.92 C ATOM 1184 CG PHE A 80 4.133 11.378 -9.400 1.00 0.94 C ATOM 1185 CD1 PHE A 80 4.455 12.704 -9.636 1.00 1.68 C ATOM 1186 CD2 PHE A 80 2.865 11.070 -8.937 1.00 1.39 C ATOM 1187 CE1 PHE A 80 3.531 13.704 -9.411 1.00 1.77 C ATOM 1188 CE2 PHE A 80 1.937 12.066 -8.712 1.00 1.43 C ATOM 1189 CZ PHE A 80 2.270 13.384 -8.948 1.00 1.14 C ATOM 0 H PHE A 80 7.820 9.517 -9.300 1.00 0.97 H new ATOM 0 HA PHE A 80 5.697 10.684 -7.596 1.00 0.85 H new ATOM 0 HB2 PHE A 80 5.791 10.576 -10.455 1.00 0.92 H new ATOM 0 HB3 PHE A 80 4.624 9.381 -9.926 1.00 0.92 H new ATOM 0 HD1 PHE A 80 5.440 12.958 -10.000 1.00 1.68 H new ATOM 0 HD2 PHE A 80 2.600 10.040 -8.750 1.00 1.39 H new ATOM 0 HE1 PHE A 80 3.794 14.735 -9.597 1.00 1.77 H new ATOM 0 HE2 PHE A 80 0.951 11.814 -8.351 1.00 1.43 H new ATOM 0 HZ PHE A 80 1.545 14.165 -8.771 1.00 1.14 H new ATOM 1199 N VAL A 81 4.571 8.247 -7.474 1.00 0.75 N ATOM 1200 CA VAL A 81 4.260 6.896 -7.032 1.00 0.77 C ATOM 1201 C VAL A 81 2.842 6.511 -7.451 1.00 0.65 C ATOM 1202 O VAL A 81 1.865 7.155 -7.053 1.00 0.59 O ATOM 1203 CB VAL A 81 4.419 6.730 -5.500 1.00 0.88 C ATOM 1204 CG1 VAL A 81 3.640 7.795 -4.740 1.00 1.19 C ATOM 1205 CG2 VAL A 81 3.993 5.334 -5.061 1.00 1.58 C ATOM 0 H VAL A 81 3.795 8.905 -7.403 1.00 0.75 H new ATOM 0 HA VAL A 81 4.976 6.230 -7.513 1.00 0.77 H new ATOM 0 HB VAL A 81 5.475 6.859 -5.262 1.00 0.88 H new ATOM 0 HG11 VAL A 81 3.774 7.648 -3.668 1.00 1.19 H new ATOM 0 HG12 VAL A 81 4.006 8.783 -5.020 1.00 1.19 H new ATOM 0 HG13 VAL A 81 2.581 7.717 -4.987 1.00 1.19 H new ATOM 0 HG21 VAL A 81 4.113 5.240 -3.982 1.00 1.58 H new ATOM 0 HG22 VAL A 81 2.948 5.172 -5.326 1.00 1.58 H new ATOM 0 HG23 VAL A 81 4.613 4.590 -5.561 1.00 1.58 H new ATOM 1215 N TYR A 82 2.736 5.457 -8.254 1.00 0.72 N ATOM 1216 CA TYR A 82 1.437 4.989 -8.716 1.00 0.69 C ATOM 1217 C TYR A 82 1.001 3.772 -7.910 1.00 0.67 C ATOM 1218 O TYR A 82 1.443 2.647 -8.157 1.00 0.77 O ATOM 1219 CB TYR A 82 1.483 4.657 -10.206 1.00 0.85 C ATOM 1220 CG TYR A 82 0.124 4.438 -10.826 1.00 0.93 C ATOM 1221 CD1 TYR A 82 -0.460 3.179 -10.821 1.00 1.57 C ATOM 1222 CD2 TYR A 82 -0.576 5.483 -11.419 1.00 1.41 C ATOM 1223 CE1 TYR A 82 -1.696 2.965 -11.389 1.00 1.72 C ATOM 1224 CE2 TYR A 82 -1.817 5.276 -11.989 1.00 1.55 C ATOM 1225 CZ TYR A 82 -2.373 4.014 -11.971 1.00 1.33 C ATOM 1226 OH TYR A 82 -3.611 3.803 -12.539 1.00 1.58 O ATOM 0 H TYR A 82 3.529 4.915 -8.596 1.00 0.72 H new ATOM 0 HA TYR A 82 0.708 5.786 -8.568 1.00 0.69 H new ATOM 0 HB2 TYR A 82 1.986 5.468 -10.734 1.00 0.85 H new ATOM 0 HB3 TYR A 82 2.086 3.761 -10.350 1.00 0.85 H new ATOM 0 HD1 TYR A 82 0.064 2.353 -10.364 1.00 1.57 H new ATOM 0 HD2 TYR A 82 -0.142 6.472 -11.434 1.00 1.41 H new ATOM 0 HE1 TYR A 82 -2.133 1.978 -11.378 1.00 1.72 H new ATOM 0 HE2 TYR A 82 -2.349 6.097 -12.446 1.00 1.55 H new ATOM 0 HH TYR A 82 -3.951 4.646 -12.904 1.00 1.58 H new ATOM 1236 N LEU A 83 0.149 4.024 -6.926 1.00 0.62 N ATOM 1237 CA LEU A 83 -0.346 2.980 -6.042 1.00 0.65 C ATOM 1238 C LEU A 83 -1.558 2.266 -6.633 1.00 0.66 C ATOM 1239 O LEU A 83 -2.523 2.901 -7.055 1.00 0.71 O ATOM 1240 CB LEU A 83 -0.709 3.583 -4.686 1.00 0.74 C ATOM 1241 CG LEU A 83 -0.663 2.613 -3.509 1.00 0.74 C ATOM 1242 CD1 LEU A 83 0.744 2.535 -2.934 1.00 1.34 C ATOM 1243 CD2 LEU A 83 -1.658 3.040 -2.442 1.00 1.38 C ATOM 0 H LEU A 83 -0.217 4.953 -6.719 1.00 0.62 H new ATOM 0 HA LEU A 83 0.446 2.242 -5.919 1.00 0.65 H new ATOM 0 HB2 LEU A 83 -0.030 4.410 -4.481 1.00 0.74 H new ATOM 0 HB3 LEU A 83 -1.713 4.003 -4.750 1.00 0.74 H new ATOM 0 HG LEU A 83 -0.938 1.620 -3.863 1.00 0.74 H new ATOM 0 HD11 LEU A 83 0.756 1.838 -2.096 1.00 1.34 H new ATOM 0 HD12 LEU A 83 1.433 2.188 -3.704 1.00 1.34 H new ATOM 0 HD13 LEU A 83 1.052 3.522 -2.590 1.00 1.34 H new ATOM 0 HD21 LEU A 83 -1.618 2.341 -1.606 1.00 1.38 H new ATOM 0 HD22 LEU A 83 -1.408 4.041 -2.091 1.00 1.38 H new ATOM 0 HD23 LEU A 83 -2.663 3.044 -2.863 1.00 1.38 H new ATOM 1255 N LYS A 84 -1.501 0.935 -6.633 1.00 0.66 N ATOM 1256 CA LYS A 84 -2.593 0.109 -7.136 1.00 0.68 C ATOM 1257 C LYS A 84 -3.211 -0.665 -5.983 1.00 0.65 C ATOM 1258 O LYS A 84 -2.576 -1.550 -5.416 1.00 0.68 O ATOM 1259 CB LYS A 84 -2.102 -0.855 -8.221 1.00 0.69 C ATOM 1260 CG LYS A 84 -1.842 -0.186 -9.561 1.00 0.76 C ATOM 1261 CD LYS A 84 -3.015 -0.366 -10.513 1.00 0.99 C ATOM 1262 CE LYS A 84 -4.140 0.611 -10.207 1.00 1.18 C ATOM 1263 NZ LYS A 84 -5.131 0.685 -11.317 1.00 1.56 N ATOM 0 H LYS A 84 -0.702 0.404 -6.287 1.00 0.66 H new ATOM 0 HA LYS A 84 -3.345 0.758 -7.585 1.00 0.68 H new ATOM 0 HB2 LYS A 84 -1.184 -1.335 -7.880 1.00 0.69 H new ATOM 0 HB3 LYS A 84 -2.842 -1.643 -8.356 1.00 0.69 H new ATOM 0 HG2 LYS A 84 -1.657 0.877 -9.408 1.00 0.76 H new ATOM 0 HG3 LYS A 84 -0.941 -0.605 -10.009 1.00 0.76 H new ATOM 0 HD2 LYS A 84 -2.677 -0.222 -11.539 1.00 0.99 H new ATOM 0 HD3 LYS A 84 -3.389 -1.387 -10.441 1.00 0.99 H new ATOM 0 HE2 LYS A 84 -4.645 0.307 -9.290 1.00 1.18 H new ATOM 0 HE3 LYS A 84 -3.722 1.601 -10.028 1.00 1.18 H new ATOM 0 HZ1 LYS A 84 -5.590 1.618 -11.311 1.00 1.56 H new ATOM 0 HZ2 LYS A 84 -4.646 0.543 -12.226 1.00 1.56 H new ATOM 0 HZ3 LYS A 84 -5.851 -0.055 -11.190 1.00 1.56 H new ATOM 1277 N VAL A 85 -4.440 -0.307 -5.620 1.00 0.76 N ATOM 1278 CA VAL A 85 -5.129 -0.959 -4.511 1.00 0.74 C ATOM 1279 C VAL A 85 -6.267 -1.843 -5.013 1.00 0.91 C ATOM 1280 O VAL A 85 -7.065 -1.426 -5.857 1.00 1.17 O ATOM 1281 CB VAL A 85 -5.687 0.082 -3.511 1.00 0.99 C ATOM 1282 CG1 VAL A 85 -6.299 -0.594 -2.290 1.00 1.92 C ATOM 1283 CG2 VAL A 85 -4.593 1.056 -3.092 1.00 0.65 C ATOM 0 H VAL A 85 -4.978 0.429 -6.077 1.00 0.76 H new ATOM 0 HA VAL A 85 -4.396 -1.583 -3.999 1.00 0.74 H new ATOM 0 HB VAL A 85 -6.478 0.639 -4.013 1.00 0.99 H new ATOM 0 HG11 VAL A 85 -6.682 0.165 -1.607 1.00 1.92 H new ATOM 0 HG12 VAL A 85 -7.116 -1.244 -2.605 1.00 1.92 H new ATOM 0 HG13 VAL A 85 -5.538 -1.187 -1.783 1.00 1.92 H new ATOM 0 HG21 VAL A 85 -5.002 1.782 -2.389 1.00 0.65 H new ATOM 0 HG22 VAL A 85 -3.780 0.507 -2.616 1.00 0.65 H new ATOM 0 HG23 VAL A 85 -4.213 1.577 -3.971 1.00 0.65 H new ATOM 1293 N ALA A 86 -6.338 -3.065 -4.484 1.00 0.91 N ATOM 1294 CA ALA A 86 -7.380 -4.012 -4.871 1.00 1.24 C ATOM 1295 C ALA A 86 -8.607 -3.875 -3.972 1.00 1.27 C ATOM 1296 O ALA A 86 -8.488 -3.538 -2.791 1.00 1.09 O ATOM 1297 CB ALA A 86 -6.843 -5.438 -4.823 1.00 1.46 C ATOM 0 H ALA A 86 -5.685 -3.421 -3.786 1.00 0.91 H new ATOM 0 HA ALA A 86 -7.683 -3.784 -5.893 1.00 1.24 H new ATOM 0 HB1 ALA A 86 -7.630 -6.133 -5.114 1.00 1.46 H new ATOM 0 HB2 ALA A 86 -6.002 -5.534 -5.510 1.00 1.46 H new ATOM 0 HB3 ALA A 86 -6.512 -5.668 -3.810 1.00 1.46 H new ATOM 1303 N LYS A 87 -9.784 -4.141 -4.536 1.00 1.68 N ATOM 1304 CA LYS A 87 -11.034 -4.053 -3.786 1.00 1.86 C ATOM 1305 C LYS A 87 -11.531 -5.448 -3.400 1.00 1.91 C ATOM 1306 O LYS A 87 -11.687 -6.314 -4.263 1.00 2.04 O ATOM 1307 CB LYS A 87 -12.100 -3.324 -4.609 1.00 2.22 C ATOM 1308 CG LYS A 87 -13.192 -2.684 -3.765 1.00 2.53 C ATOM 1309 CD LYS A 87 -14.523 -3.405 -3.924 1.00 2.89 C ATOM 1310 CE LYS A 87 -15.567 -2.514 -4.579 1.00 3.28 C ATOM 1311 NZ LYS A 87 -15.571 -2.655 -6.063 1.00 4.20 N ATOM 0 H LYS A 87 -9.897 -4.419 -5.511 1.00 1.68 H new ATOM 0 HA LYS A 87 -10.846 -3.487 -2.874 1.00 1.86 H new ATOM 0 HB2 LYS A 87 -11.618 -2.553 -5.210 1.00 2.22 H new ATOM 0 HB3 LYS A 87 -12.556 -4.030 -5.303 1.00 2.22 H new ATOM 0 HG2 LYS A 87 -12.895 -2.696 -2.716 1.00 2.53 H new ATOM 0 HG3 LYS A 87 -13.308 -1.639 -4.052 1.00 2.53 H new ATOM 0 HD2 LYS A 87 -14.381 -4.303 -4.525 1.00 2.89 H new ATOM 0 HD3 LYS A 87 -14.881 -3.729 -2.947 1.00 2.89 H new ATOM 0 HE2 LYS A 87 -16.553 -2.764 -4.189 1.00 3.28 H new ATOM 0 HE3 LYS A 87 -15.374 -1.474 -4.314 1.00 3.28 H new ATOM 0 HZ1 LYS A 87 -16.297 -2.031 -6.469 1.00 4.20 H new ATOM 0 HZ2 LYS A 87 -14.638 -2.392 -6.439 1.00 4.20 H new ATOM 0 HZ3 LYS A 87 -15.781 -3.641 -6.317 1.00 4.20 H new ATOM 1325 N PRO A 88 -11.782 -5.684 -2.097 1.00 1.88 N ATOM 1326 CA PRO A 88 -12.259 -6.984 -1.605 1.00 2.01 C ATOM 1327 C PRO A 88 -13.621 -7.358 -2.187 1.00 2.20 C ATOM 1328 O PRO A 88 -14.476 -6.493 -2.398 1.00 2.28 O ATOM 1329 CB PRO A 88 -12.354 -6.795 -0.086 1.00 1.98 C ATOM 1330 CG PRO A 88 -12.398 -5.319 0.126 1.00 1.91 C ATOM 1331 CD PRO A 88 -11.618 -4.709 -1.004 1.00 1.79 C ATOM 0 HA PRO A 88 -11.591 -7.794 -1.897 1.00 2.01 H new ATOM 0 HB2 PRO A 88 -13.246 -7.277 0.315 1.00 1.98 H new ATOM 0 HB3 PRO A 88 -11.497 -7.239 0.420 1.00 1.98 H new ATOM 0 HG2 PRO A 88 -13.426 -4.957 0.129 1.00 1.91 H new ATOM 0 HG3 PRO A 88 -11.963 -5.051 1.089 1.00 1.91 H new ATOM 0 HD2 PRO A 88 -12.008 -3.729 -1.278 1.00 1.79 H new ATOM 0 HD3 PRO A 88 -10.569 -4.573 -0.741 1.00 1.79 H new ATOM 1339 N THR A 89 -13.819 -8.654 -2.440 1.00 2.38 N ATOM 1340 CA THR A 89 -15.078 -9.155 -2.994 1.00 2.59 C ATOM 1341 C THR A 89 -15.150 -10.676 -2.871 1.00 2.77 C ATOM 1342 O THR A 89 -14.549 -11.400 -3.669 1.00 3.51 O ATOM 1343 CB THR A 89 -15.242 -8.748 -4.471 1.00 3.08 C ATOM 1344 OG1 THR A 89 -14.223 -7.853 -4.884 1.00 3.51 O ATOM 1345 CG2 THR A 89 -16.573 -8.088 -4.760 1.00 3.88 C ATOM 0 H THR A 89 -13.120 -9.377 -2.269 1.00 2.38 H new ATOM 0 HA THR A 89 -15.890 -8.708 -2.420 1.00 2.59 H new ATOM 0 HB THR A 89 -15.179 -9.684 -5.026 1.00 3.08 H new ATOM 0 HG1 THR A 89 -14.357 -7.617 -5.826 1.00 3.51 H new ATOM 0 HG21 THR A 89 -16.627 -7.825 -5.816 1.00 3.88 H new ATOM 0 HG22 THR A 89 -17.381 -8.777 -4.516 1.00 3.88 H new ATOM 0 HG23 THR A 89 -16.670 -7.186 -4.156 1.00 3.88 H new ATOM 1353 N GLY A 90 -15.881 -11.157 -1.862 1.00 2.75 N ATOM 1354 CA GLY A 90 -16.013 -12.589 -1.647 1.00 3.54 C ATOM 1355 C GLY A 90 -16.594 -13.316 -2.846 1.00 4.20 C ATOM 1356 O GLY A 90 -17.632 -12.918 -3.378 1.00 4.69 O ATOM 0 H GLY A 90 -16.384 -10.577 -1.190 1.00 2.75 H new ATOM 0 HA2 GLY A 90 -15.034 -13.008 -1.414 1.00 3.54 H new ATOM 0 HA3 GLY A 90 -16.649 -12.764 -0.779 1.00 3.54 H new ATOM 1360 N SER A 91 -15.922 -14.389 -3.267 1.00 4.69 N ATOM 1361 CA SER A 91 -16.372 -15.186 -4.408 1.00 5.64 C ATOM 1362 C SER A 91 -17.292 -16.320 -3.956 1.00 5.73 C ATOM 1363 O SER A 91 -18.221 -16.696 -4.673 1.00 6.47 O ATOM 1364 CB SER A 91 -15.170 -15.757 -5.165 1.00 6.57 C ATOM 1365 OG SER A 91 -14.668 -14.822 -6.105 1.00 7.06 O ATOM 0 H SER A 91 -15.062 -14.726 -2.833 1.00 4.69 H new ATOM 0 HA SER A 91 -16.935 -14.533 -5.074 1.00 5.64 H new ATOM 0 HB2 SER A 91 -14.385 -16.024 -4.458 1.00 6.57 H new ATOM 0 HB3 SER A 91 -15.462 -16.673 -5.679 1.00 6.57 H new ATOM 0 HG SER A 91 -13.900 -15.210 -6.574 1.00 7.06 H new ATOM 1371 N HIS A 92 -17.025 -16.862 -2.763 1.00 5.26 N ATOM 1372 CA HIS A 92 -17.824 -17.955 -2.205 1.00 5.60 C ATOM 1373 C HIS A 92 -19.306 -17.586 -2.155 1.00 5.37 C ATOM 1374 O HIS A 92 -20.140 -18.246 -2.775 1.00 5.46 O ATOM 1375 CB HIS A 92 -17.329 -18.312 -0.798 1.00 5.86 C ATOM 1376 CG HIS A 92 -17.261 -17.138 0.134 1.00 6.59 C ATOM 1377 ND1 HIS A 92 -16.089 -16.467 0.413 1.00 7.09 N ATOM 1378 CD2 HIS A 92 -18.229 -16.511 0.844 1.00 7.14 C ATOM 1379 CE1 HIS A 92 -16.340 -15.480 1.256 1.00 7.83 C ATOM 1380 NE2 HIS A 92 -17.630 -15.484 1.532 1.00 7.84 N ATOM 0 H HIS A 92 -16.257 -16.559 -2.164 1.00 5.26 H new ATOM 0 HA HIS A 92 -17.708 -18.820 -2.857 1.00 5.60 H new ATOM 0 HB2 HIS A 92 -17.990 -19.066 -0.371 1.00 5.86 H new ATOM 0 HB3 HIS A 92 -16.339 -18.762 -0.874 1.00 5.86 H new ATOM 0 HD2 HIS A 92 -19.277 -16.770 0.865 1.00 7.14 H new ATOM 0 HE1 HIS A 92 -15.612 -14.787 1.652 1.00 7.83 H new ATOM 0 HE2 HIS A 92 -18.105 -14.831 2.155 1.00 7.84 H new TER 1389 HIS A 92 ATOM 1390 N ARG B 301 2.630 -10.233 13.414 1.00 1.88 N ATOM 1391 CA ARG B 301 2.211 -9.651 12.107 1.00 1.27 C ATOM 1392 C ARG B 301 3.375 -8.966 11.387 1.00 1.29 C ATOM 1393 O ARG B 301 3.450 -8.999 10.161 1.00 2.06 O ATOM 1394 CB ARG B 301 1.080 -8.649 12.353 1.00 1.61 C ATOM 1395 CG ARG B 301 -0.307 -9.238 12.151 1.00 2.13 C ATOM 1396 CD ARG B 301 -1.277 -8.208 11.594 1.00 2.72 C ATOM 1397 NE ARG B 301 -2.058 -7.561 12.649 1.00 3.09 N ATOM 1398 CZ ARG B 301 -3.103 -8.125 13.262 1.00 3.70 C ATOM 1399 NH1 ARG B 301 -3.504 -9.350 12.929 1.00 4.18 N ATOM 1400 NH2 ARG B 301 -3.749 -7.460 14.213 1.00 4.22 N ATOM 0 HA ARG B 301 1.867 -10.460 11.463 1.00 1.27 H new ATOM 0 HB2 ARG B 301 1.159 -8.267 13.371 1.00 1.61 H new ATOM 0 HB3 ARG B 301 1.206 -7.799 11.683 1.00 1.61 H new ATOM 0 HG2 ARG B 301 -0.247 -10.087 11.470 1.00 2.13 H new ATOM 0 HG3 ARG B 301 -0.684 -9.617 13.101 1.00 2.13 H new ATOM 0 HD2 ARG B 301 -0.723 -7.452 11.038 1.00 2.72 H new ATOM 0 HD3 ARG B 301 -1.952 -8.691 10.888 1.00 2.72 H new ATOM 0 HE ARG B 301 -1.788 -6.620 12.935 1.00 3.09 H new ATOM 0 HH11 ARG B 301 -3.012 -9.867 12.200 1.00 4.18 H new ATOM 0 HH12 ARG B 301 -4.303 -9.772 13.403 1.00 4.18 H new ATOM 0 HH21 ARG B 301 -3.447 -6.521 14.474 1.00 4.22 H new ATOM 0 HH22 ARG B 301 -4.547 -7.888 14.683 1.00 4.22 H new ATOM 1416 N ARG B 302 4.279 -8.347 12.155 1.00 1.12 N ATOM 1417 CA ARG B 302 5.439 -7.655 11.590 1.00 1.03 C ATOM 1418 C ARG B 302 5.008 -6.533 10.642 1.00 1.02 C ATOM 1419 O ARG B 302 4.897 -6.733 9.430 1.00 1.45 O ATOM 1420 CB ARG B 302 6.354 -8.646 10.861 1.00 1.13 C ATOM 1421 CG ARG B 302 7.781 -8.146 10.690 1.00 1.12 C ATOM 1422 CD ARG B 302 8.712 -9.256 10.224 1.00 1.50 C ATOM 1423 NE ARG B 302 8.949 -10.256 11.267 1.00 2.09 N ATOM 1424 CZ ARG B 302 9.955 -11.134 11.249 1.00 2.72 C ATOM 1425 NH1 ARG B 302 10.822 -11.150 10.237 1.00 2.99 N ATOM 1426 NH2 ARG B 302 10.094 -12.002 12.246 1.00 3.57 N ATOM 0 H ARG B 302 4.227 -8.312 13.173 1.00 1.12 H new ATOM 0 HA ARG B 302 5.994 -7.206 12.414 1.00 1.03 H new ATOM 0 HB2 ARG B 302 6.371 -9.586 11.413 1.00 1.13 H new ATOM 0 HB3 ARG B 302 5.933 -8.861 9.879 1.00 1.13 H new ATOM 0 HG2 ARG B 302 7.797 -7.330 9.968 1.00 1.12 H new ATOM 0 HG3 ARG B 302 8.141 -7.742 11.636 1.00 1.12 H new ATOM 0 HD2 ARG B 302 8.284 -9.743 9.348 1.00 1.50 H new ATOM 0 HD3 ARG B 302 9.664 -8.823 9.915 1.00 1.50 H new ATOM 0 HE ARG B 302 8.305 -10.284 12.057 1.00 2.09 H new ATOM 0 HH11 ARG B 302 10.720 -10.488 9.468 1.00 2.99 H new ATOM 0 HH12 ARG B 302 11.587 -11.824 10.232 1.00 2.99 H new ATOM 0 HH21 ARG B 302 9.433 -11.997 13.023 1.00 3.57 H new ATOM 0 HH22 ARG B 302 10.862 -12.674 12.234 1.00 3.57 H new ATOM 1440 N GLU B 303 4.767 -5.352 11.209 1.00 0.69 N ATOM 1441 CA GLU B 303 4.349 -4.190 10.429 1.00 0.66 C ATOM 1442 C GLU B 303 5.432 -3.112 10.449 1.00 0.71 C ATOM 1443 O GLU B 303 5.854 -2.665 11.517 1.00 1.16 O ATOM 1444 CB GLU B 303 3.034 -3.633 10.982 1.00 0.71 C ATOM 1445 CG GLU B 303 1.846 -4.563 10.771 1.00 1.12 C ATOM 1446 CD GLU B 303 0.988 -4.713 12.012 1.00 1.54 C ATOM 1447 OE1 GLU B 303 1.398 -5.452 12.932 1.00 2.08 O ATOM 1448 OE2 GLU B 303 -0.097 -4.095 12.061 1.00 1.99 O ATOM 0 H GLU B 303 4.855 -5.175 12.210 1.00 0.69 H new ATOM 0 HA GLU B 303 4.194 -4.501 9.396 1.00 0.66 H new ATOM 0 HB2 GLU B 303 3.150 -3.440 12.049 1.00 0.71 H new ATOM 0 HB3 GLU B 303 2.825 -2.675 10.506 1.00 0.71 H new ATOM 0 HG2 GLU B 303 1.232 -4.181 9.955 1.00 1.12 H new ATOM 0 HG3 GLU B 303 2.209 -5.544 10.465 1.00 1.12 H new ATOM 1455 N THR B 304 5.890 -2.710 9.261 1.00 0.55 N ATOM 1456 CA THR B 304 6.937 -1.697 9.143 1.00 0.55 C ATOM 1457 C THR B 304 6.432 -0.445 8.423 1.00 0.53 C ATOM 1458 O THR B 304 5.538 -0.520 7.578 1.00 0.54 O ATOM 1459 CB THR B 304 8.155 -2.291 8.417 1.00 0.55 C ATOM 1460 OG1 THR B 304 9.156 -2.669 9.346 1.00 0.65 O ATOM 1461 CG2 THR B 304 8.797 -1.362 7.408 1.00 0.56 C ATOM 0 H THR B 304 5.552 -3.071 8.369 1.00 0.55 H new ATOM 0 HA THR B 304 7.233 -1.393 10.147 1.00 0.55 H new ATOM 0 HB THR B 304 7.759 -3.150 7.876 1.00 0.55 H new ATOM 0 HG1 THR B 304 9.922 -3.046 8.866 1.00 0.65 H new ATOM 0 HG21 THR B 304 9.648 -1.861 6.944 1.00 0.56 H new ATOM 0 HG22 THR B 304 8.068 -1.098 6.642 1.00 0.56 H new ATOM 0 HG23 THR B 304 9.138 -0.457 7.912 1.00 0.56 H new ATOM 1469 N GLN B 305 7.023 0.704 8.762 1.00 0.58 N ATOM 1470 CA GLN B 305 6.646 1.977 8.148 1.00 0.60 C ATOM 1471 C GLN B 305 7.382 2.187 6.828 1.00 0.58 C ATOM 1472 O GLN B 305 8.442 1.603 6.595 1.00 0.74 O ATOM 1473 CB GLN B 305 6.938 3.142 9.097 1.00 0.76 C ATOM 1474 CG GLN B 305 5.728 3.591 9.903 1.00 0.89 C ATOM 1475 CD GLN B 305 6.048 4.724 10.862 1.00 1.13 C ATOM 1476 OE1 GLN B 305 6.635 5.735 10.472 1.00 1.67 O ATOM 1477 NE2 GLN B 305 5.661 4.565 12.125 1.00 1.50 N ATOM 0 H GLN B 305 7.764 0.777 9.459 1.00 0.58 H new ATOM 0 HA GLN B 305 5.575 1.944 7.947 1.00 0.60 H new ATOM 0 HB2 GLN B 305 7.733 2.850 9.783 1.00 0.76 H new ATOM 0 HB3 GLN B 305 7.312 3.986 8.518 1.00 0.76 H new ATOM 0 HG2 GLN B 305 4.940 3.910 9.220 1.00 0.89 H new ATOM 0 HG3 GLN B 305 5.337 2.744 10.466 1.00 0.89 H new ATOM 0 HE21 GLN B 305 5.177 3.712 12.407 1.00 1.50 H new ATOM 0 HE22 GLN B 305 5.848 5.296 12.812 1.00 1.50 H new ATOM 1486 N VAL B 306 6.806 3.022 5.963 1.00 0.58 N ATOM 1487 CA VAL B 306 7.395 3.309 4.657 1.00 0.63 C ATOM 1488 C VAL B 306 7.132 4.754 4.219 1.00 0.77 C ATOM 1489 O VAL B 306 7.921 5.274 3.402 1.00 1.47 O ATOM 1490 CB VAL B 306 6.852 2.347 3.579 1.00 0.54 C ATOM 1491 CG1 VAL B 306 7.384 0.939 3.809 1.00 0.51 C ATOM 1492 CG2 VAL B 306 5.329 2.350 3.569 1.00 0.49 C ATOM 1493 OXT VAL B 306 6.140 5.353 4.690 1.00 1.14 O ATOM 0 H VAL B 306 5.930 3.512 6.145 1.00 0.58 H new ATOM 0 HA VAL B 306 8.470 3.166 4.762 1.00 0.63 H new ATOM 0 HB VAL B 306 7.197 2.693 2.605 1.00 0.54 H new ATOM 0 HG11 VAL B 306 6.992 0.272 3.041 1.00 0.51 H new ATOM 0 HG12 VAL B 306 8.473 0.949 3.760 1.00 0.51 H new ATOM 0 HG13 VAL B 306 7.068 0.587 4.791 1.00 0.51 H new ATOM 0 HG21 VAL B 306 4.969 1.665 2.802 1.00 0.49 H new ATOM 0 HG22 VAL B 306 4.958 2.031 4.543 1.00 0.49 H new ATOM 0 HG23 VAL B 306 4.969 3.356 3.355 1.00 0.49 H new TER 1503 VAL B 306