USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1046 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 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.3: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.514 K(o=-0.51,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot 50:sc= -2.31! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.296 USER MOD Single : A 20 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.9!) USER MOD Single : A 23 HIS : no HD1:sc= -3.65! C(o=-3.7!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -144:sc= -0.0472 (180deg=-0.713) USER MOD Single : A 28 SER OG : rot -120:sc= -0.344 USER MOD Single : A 38 GLN : amide:sc= -0.834 K(o=-0.83,f=0) USER MOD Single : A 40 SER OG : rot -44:sc= 0.296 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0402 (180deg=-0.308) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.0054 (180deg=-0.156) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.552 K(o=-0.55,f=-4.2!) USER MOD Single : B 18 THR OG1 : rot -130:sc= -2.69! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.287 USER MOD Single : B 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.9!) USER MOD Single : B 23 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -141:sc= -0.0185 (180deg=-0.622) USER MOD Single : B 28 SER OG : rot -160:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.093) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc=-0.000648 X(o=-0.00065,f=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 143:sc= 1.19 (180deg=0.0825) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 154:sc= -0.0432 (180deg=-0.518) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 170:sc= -0.0138 (180deg=-0.15) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.032 -18.941 14.996 1.00 0.81 N ATOM 2 CA LEU A 8 -7.619 -19.420 13.724 1.00 0.78 C ATOM 3 C LEU A 8 -9.079 -19.870 13.949 1.00 0.78 C ATOM 4 O LEU A 8 -9.379 -21.020 14.266 1.00 0.80 O ATOM 5 CB LEU A 8 -6.740 -20.546 13.152 1.00 0.80 C ATOM 6 CG LEU A 8 -7.122 -21.046 11.744 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.898 -21.686 11.096 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.217 -22.118 11.751 1.00 0.78 C ATOM 0 HA LEU A 8 -7.645 -18.612 12.993 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -5.708 -20.197 13.125 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.773 -21.392 13.839 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.490 -20.174 11.203 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.159 -22.043 10.100 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.099 -20.948 11.020 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.561 -22.525 11.705 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.435 -22.423 10.727 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.877 -22.982 12.322 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.120 -21.713 12.209 1.00 0.78 H new ATOM 20 N ARG A 9 -9.936 -18.864 14.010 1.00 0.76 N ATOM 21 CA ARG A 9 -11.377 -19.090 14.224 1.00 0.76 C ATOM 22 C ARG A 9 -12.220 -18.304 13.221 1.00 0.72 C ATOM 23 O ARG A 9 -12.884 -18.883 12.366 1.00 0.71 O ATOM 24 CB ARG A 9 -11.785 -18.838 15.688 1.00 0.79 C ATOM 25 CG ARG A 9 -11.466 -17.428 16.196 1.00 0.78 C ATOM 26 CD ARG A 9 -12.078 -17.171 17.570 1.00 0.82 C ATOM 27 NE ARG A 9 -11.815 -15.774 17.966 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.659 -15.267 18.400 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.568 -16.017 18.516 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.593 -13.996 18.771 1.00 0.83 N ATOM 0 H ARG A 9 -9.672 -17.883 13.916 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.581 -20.144 14.035 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.856 -19.015 15.791 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.279 -19.564 16.324 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.385 -17.296 16.249 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.843 -16.692 15.486 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.152 -17.358 17.544 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.653 -17.856 18.304 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.601 -15.127 17.901 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.601 -17.006 18.271 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.698 -15.603 18.850 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.425 -13.407 18.725 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.711 -13.607 19.103 1.00 0.83 H new ATOM 44 N GLU A 10 -12.140 -16.973 13.318 1.00 0.70 N ATOM 45 CA GLU A 10 -12.969 -16.044 12.541 1.00 0.67 C ATOM 46 C GLU A 10 -12.239 -14.714 12.346 1.00 0.65 C ATOM 47 O GLU A 10 -11.850 -14.055 13.311 1.00 0.67 O ATOM 48 CB GLU A 10 -14.284 -15.772 13.277 1.00 0.69 C ATOM 49 CG GLU A 10 -15.168 -17.021 13.391 1.00 0.71 C ATOM 50 CD GLU A 10 -16.514 -16.758 14.068 1.00 0.73 C ATOM 51 OE1 GLU A 10 -16.996 -15.605 13.974 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.044 -17.725 14.650 1.00 0.76 O ATOM 0 H GLU A 10 -11.489 -16.504 13.947 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.170 -16.499 11.571 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.065 -15.394 14.276 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.833 -14.990 12.754 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.345 -17.423 12.393 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.631 -17.786 13.953 1.00 0.71 H new ATOM 59 N LEU A 11 -11.940 -14.451 11.087 1.00 0.62 N ATOM 60 CA LEU A 11 -11.258 -13.213 10.672 1.00 0.60 C ATOM 61 C LEU A 11 -12.064 -12.503 9.584 1.00 0.57 C ATOM 62 O LEU A 11 -12.612 -13.138 8.681 1.00 0.56 O ATOM 63 CB LEU A 11 -9.860 -13.552 10.157 1.00 0.60 C ATOM 64 CG LEU A 11 -8.989 -14.154 11.258 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.430 -15.502 10.802 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.868 -13.187 11.637 1.00 0.64 C ATOM 0 H LEU A 11 -12.158 -15.081 10.315 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.174 -12.545 11.529 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.937 -14.255 9.327 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.386 -12.651 9.768 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.598 -14.321 12.146 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.810 -15.925 11.592 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.253 -16.182 10.583 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.828 -15.361 9.905 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.256 -13.630 12.423 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.248 -12.988 10.763 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.299 -12.253 11.996 1.00 0.64 H new ATOM 78 N ARG A 12 -12.096 -11.189 9.708 1.00 0.56 N ATOM 79 CA ARG A 12 -12.886 -10.323 8.814 1.00 0.54 C ATOM 80 C ARG A 12 -11.930 -9.608 7.866 1.00 0.51 C ATOM 81 O ARG A 12 -10.806 -9.272 8.246 1.00 0.51 O ATOM 82 CB ARG A 12 -13.654 -9.280 9.645 1.00 0.55 C ATOM 83 CG ARG A 12 -14.347 -9.830 10.901 1.00 0.59 C ATOM 84 CD ARG A 12 -15.204 -11.053 10.571 1.00 0.59 C ATOM 85 NE ARG A 12 -15.975 -11.500 11.730 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.287 -11.323 11.789 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.793 -10.156 12.165 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.091 -12.347 11.566 1.00 0.66 N ATOM 0 H ARG A 12 -11.580 -10.680 10.426 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.599 -10.924 8.250 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -12.960 -8.495 9.946 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.406 -8.813 9.009 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.597 -10.099 11.645 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -14.972 -9.054 11.344 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.883 -10.812 9.753 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.563 -11.864 10.225 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.495 -11.956 12.506 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.171 -9.386 12.412 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.804 -10.028 12.208 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.701 -13.264 11.351 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.102 -12.220 11.609 1.00 0.66 H new ATOM 102 N CYS A 13 -12.391 -9.373 6.640 1.00 0.49 N ATOM 103 CA CYS A 13 -11.633 -8.558 5.673 1.00 0.47 C ATOM 104 C CYS A 13 -11.307 -7.186 6.286 1.00 0.47 C ATOM 105 O CYS A 13 -12.043 -6.687 7.139 1.00 0.48 O ATOM 106 CB CYS A 13 -12.469 -8.369 4.407 1.00 0.47 C ATOM 107 SG CYS A 13 -12.536 -9.838 3.316 1.00 0.48 S ATOM 0 H CYS A 13 -13.279 -9.729 6.287 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.701 -9.066 5.424 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.485 -8.099 4.695 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.064 -7.530 3.841 1.00 0.47 H new ATOM 112 N VAL A 14 -10.195 -6.603 5.846 1.00 0.45 N ATOM 113 CA VAL A 14 -9.787 -5.253 6.316 1.00 0.45 C ATOM 114 C VAL A 14 -10.856 -4.189 5.981 1.00 0.44 C ATOM 115 O VAL A 14 -11.027 -3.204 6.691 1.00 0.45 O ATOM 116 CB VAL A 14 -8.370 -4.884 5.814 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.231 -4.721 4.297 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.838 -3.620 6.492 1.00 0.45 C ATOM 0 H VAL A 14 -9.557 -7.026 5.172 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.722 -5.277 7.404 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.773 -5.753 6.093 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.201 -4.463 4.052 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.498 -5.656 3.805 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -8.895 -3.928 3.954 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.841 -3.395 6.112 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.505 -2.784 6.278 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.788 -3.778 7.569 1.00 0.45 H new ATOM 128 N CYS A 15 -11.549 -4.431 4.873 1.00 0.44 N ATOM 129 CA CYS A 15 -12.632 -3.578 4.358 1.00 0.44 C ATOM 130 C CYS A 15 -13.952 -4.340 4.292 1.00 0.46 C ATOM 131 O CYS A 15 -14.127 -5.229 3.458 1.00 0.46 O ATOM 132 CB CYS A 15 -12.294 -3.107 2.948 1.00 0.43 C ATOM 133 SG CYS A 15 -11.000 -1.834 2.924 1.00 0.42 S ATOM 0 H CYS A 15 -11.373 -5.247 4.287 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.734 -2.732 5.037 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -11.969 -3.960 2.353 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.194 -2.713 2.476 1.00 0.43 H new ATOM 138 N LEU A 16 -14.816 -4.033 5.249 1.00 0.48 N ATOM 139 CA LEU A 16 -16.179 -4.599 5.270 1.00 0.51 C ATOM 140 C LEU A 16 -17.171 -3.853 4.363 1.00 0.53 C ATOM 141 O LEU A 16 -18.064 -4.458 3.763 1.00 0.55 O ATOM 142 CB LEU A 16 -16.707 -4.680 6.706 1.00 0.54 C ATOM 143 CG LEU A 16 -15.913 -5.670 7.573 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.450 -5.641 9.005 1.00 0.57 C ATOM 145 CD2 LEU A 16 -15.980 -7.102 7.022 1.00 0.53 C ATOM 0 H LEU A 16 -14.610 -3.400 6.022 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.097 -5.605 4.859 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.666 -3.690 7.161 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.755 -4.979 6.687 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.868 -5.361 7.558 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.886 -6.343 9.619 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.344 -4.636 9.413 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.503 -5.923 9.005 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.405 -7.767 7.666 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.018 -7.433 6.993 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.564 -7.124 6.015 1.00 0.53 H new ATOM 157 N GLN A 17 -16.978 -2.557 4.253 1.00 0.53 N ATOM 158 CA GLN A 17 -17.814 -1.648 3.459 1.00 0.55 C ATOM 159 C GLN A 17 -17.020 -1.117 2.251 1.00 0.53 C ATOM 160 O GLN A 17 -15.846 -1.430 2.059 1.00 0.50 O ATOM 161 CB GLN A 17 -18.343 -0.497 4.340 1.00 0.57 C ATOM 162 CG GLN A 17 -17.298 0.528 4.811 1.00 0.56 C ATOM 163 CD GLN A 17 -16.295 0.011 5.854 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.340 -1.076 6.404 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.335 0.840 6.177 1.00 0.53 N ATOM 0 H GLN A 17 -16.211 -2.079 4.726 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.676 -2.196 3.079 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.117 0.032 3.785 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.821 -0.929 5.219 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.743 0.882 3.942 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.820 1.389 5.229 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.279 1.755 5.729 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.643 0.571 6.877 1.00 0.53 H new ATOM 174 N THR A 18 -17.698 -0.270 1.499 1.00 0.56 N ATOM 175 CA THR A 18 -17.131 0.386 0.309 1.00 0.55 C ATOM 176 C THR A 18 -17.336 1.910 0.357 1.00 0.57 C ATOM 177 O THR A 18 -17.854 2.460 1.332 1.00 0.58 O ATOM 178 CB THR A 18 -17.749 -0.274 -0.934 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.100 0.241 -2.092 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.270 -0.087 -1.049 1.00 0.62 C ATOM 0 H THR A 18 -18.665 -0.008 1.688 1.00 0.56 H new ATOM 0 HA THR A 18 -16.050 0.250 0.273 1.00 0.55 H new ATOM 0 HB THR A 18 -17.594 -1.349 -0.840 1.00 0.57 H new ATOM 0 HG1 THR A 18 -16.129 0.183 -1.976 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.630 -0.581 -1.951 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.757 -0.524 -0.177 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.503 0.977 -1.100 1.00 0.62 H new ATOM 188 N THR A 19 -17.014 2.570 -0.749 1.00 0.57 N ATOM 189 CA THR A 19 -17.123 4.025 -0.947 1.00 0.59 C ATOM 190 C THR A 19 -17.200 4.353 -2.448 1.00 0.61 C ATOM 191 O THR A 19 -16.691 3.619 -3.304 1.00 0.60 O ATOM 192 CB THR A 19 -15.920 4.733 -0.287 1.00 0.56 C ATOM 193 OG1 THR A 19 -15.878 4.418 1.108 1.00 0.55 O ATOM 194 CG2 THR A 19 -15.954 6.259 -0.414 1.00 0.58 C ATOM 0 H THR A 19 -16.653 2.091 -1.574 1.00 0.57 H new ATOM 0 HA THR A 19 -18.037 4.385 -0.476 1.00 0.59 H new ATOM 0 HB THR A 19 -15.039 4.371 -0.817 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.304 3.637 1.250 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.077 6.684 0.074 1.00 0.58 H new ATOM 0 HG22 THR A 19 -15.953 6.536 -1.468 1.00 0.58 H new ATOM 0 HG23 THR A 19 -16.856 6.644 0.062 1.00 0.58 H new ATOM 202 N GLN A 20 -17.853 5.473 -2.716 1.00 0.65 N ATOM 203 CA GLN A 20 -18.030 6.058 -4.049 1.00 0.68 C ATOM 204 C GLN A 20 -17.611 7.532 -4.091 1.00 0.68 C ATOM 205 O GLN A 20 -18.412 8.466 -4.130 1.00 0.72 O ATOM 206 CB GLN A 20 -19.462 5.837 -4.571 1.00 0.72 C ATOM 207 CG GLN A 20 -20.607 6.520 -3.814 1.00 0.75 C ATOM 208 CD GLN A 20 -20.825 6.044 -2.375 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.368 5.022 -1.887 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.621 6.791 -1.656 1.00 0.76 N ATOM 0 H GLN A 20 -18.296 6.028 -1.983 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.359 5.533 -4.729 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.497 6.173 -5.607 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.656 4.764 -4.577 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.419 7.594 -3.798 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.530 6.367 -4.372 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.010 7.648 -2.050 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -21.853 6.517 -0.701 1.00 0.76 H new ATOM 219 N GLY A 21 -16.291 7.705 -4.024 1.00 0.65 N ATOM 220 CA GLY A 21 -15.728 9.045 -4.177 1.00 0.65 C ATOM 221 C GLY A 21 -15.557 9.404 -5.667 1.00 0.68 C ATOM 222 O GLY A 21 -15.773 8.545 -6.515 1.00 0.69 O ATOM 0 H GLY A 21 -15.611 6.961 -3.870 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.379 9.774 -3.696 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.763 9.098 -3.673 1.00 0.65 H new ATOM 226 N VAL A 22 -15.014 10.552 -6.059 1.00 0.69 N ATOM 227 CA VAL A 22 -14.312 11.692 -5.400 1.00 0.68 C ATOM 228 C VAL A 22 -13.125 12.063 -6.318 1.00 0.67 C ATOM 229 O VAL A 22 -12.969 11.496 -7.395 1.00 0.68 O ATOM 230 CB VAL A 22 -13.842 11.463 -3.934 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.663 10.488 -3.773 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.644 12.766 -3.151 1.00 0.65 C ATOM 0 H VAL A 22 -15.061 10.758 -7.057 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.034 12.501 -5.287 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.684 10.948 -3.471 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.410 10.395 -2.717 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -12.943 9.511 -4.167 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.800 10.867 -4.321 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.316 12.535 -2.137 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -12.889 13.377 -3.646 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.586 13.314 -3.112 1.00 0.65 H new ATOM 242 N HIS A 23 -12.258 12.959 -5.863 1.00 0.66 N ATOM 243 CA HIS A 23 -11.039 13.308 -6.595 1.00 0.66 C ATOM 244 C HIS A 23 -9.795 12.936 -5.761 1.00 0.62 C ATOM 245 O HIS A 23 -9.798 13.140 -4.540 1.00 0.60 O ATOM 246 CB HIS A 23 -11.078 14.801 -6.940 1.00 0.69 C ATOM 247 CG HIS A 23 -9.987 15.181 -7.946 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.705 15.366 -7.650 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.139 15.421 -9.245 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.063 15.733 -8.756 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.952 15.767 -9.742 1.00 0.73 N ATOM 0 H HIS A 23 -12.375 13.463 -4.984 1.00 0.66 H new ATOM 0 HA HIS A 23 -10.980 12.744 -7.526 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.055 15.054 -7.351 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -10.954 15.388 -6.030 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.063 15.348 -9.800 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.011 15.962 -8.837 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.759 16.015 -10.712 1.00 0.73 H new ATOM 259 N PRO A 24 -8.732 12.471 -6.439 1.00 0.61 N ATOM 260 CA PRO A 24 -7.411 12.180 -5.842 1.00 0.58 C ATOM 261 C PRO A 24 -6.864 13.343 -5.019 1.00 0.58 C ATOM 262 O PRO A 24 -6.022 13.125 -4.161 1.00 0.56 O ATOM 263 CB PRO A 24 -6.462 12.021 -7.022 1.00 0.60 C ATOM 264 CG PRO A 24 -7.356 11.490 -8.130 1.00 0.62 C ATOM 265 CD PRO A 24 -8.699 12.164 -7.885 1.00 0.64 C ATOM 0 HA PRO A 24 -7.501 11.310 -5.191 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.002 12.970 -7.298 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.651 11.329 -6.794 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -6.960 11.739 -9.114 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.442 10.404 -8.086 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.797 13.072 -8.481 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.523 11.509 -8.165 1.00 0.64 H new ATOM 273 N LYS A 25 -7.348 14.556 -5.286 1.00 0.61 N ATOM 274 CA LYS A 25 -6.945 15.787 -4.592 1.00 0.61 C ATOM 275 C LYS A 25 -7.039 15.661 -3.060 1.00 0.59 C ATOM 276 O LYS A 25 -6.253 16.262 -2.338 1.00 0.59 O ATOM 277 CB LYS A 25 -7.840 16.929 -5.067 1.00 0.65 C ATOM 278 CG LYS A 25 -7.027 18.216 -5.197 1.00 0.67 C ATOM 279 CD LYS A 25 -7.861 19.398 -5.695 1.00 0.70 C ATOM 280 CE LYS A 25 -8.861 19.878 -4.643 1.00 0.71 C ATOM 281 NZ LYS A 25 -8.752 21.332 -4.481 1.00 0.74 N ATOM 0 H LYS A 25 -8.049 14.718 -6.009 1.00 0.61 H new ATOM 0 HA LYS A 25 -5.900 15.982 -4.832 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.288 16.674 -6.027 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.659 17.077 -4.363 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.594 18.466 -4.228 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.197 18.048 -5.884 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.199 20.220 -5.967 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.397 19.108 -6.599 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -9.874 19.611 -4.943 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.669 19.381 -3.692 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.434 21.654 -3.765 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -7.788 21.576 -4.176 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -8.956 21.799 -5.388 1.00 0.74 H new ATOM 295 N MET A 26 -7.975 14.845 -2.584 1.00 0.58 N ATOM 296 CA MET A 26 -8.156 14.644 -1.148 1.00 0.58 C ATOM 297 C MET A 26 -7.267 13.509 -0.627 1.00 0.54 C ATOM 298 O MET A 26 -6.981 13.432 0.568 1.00 0.54 O ATOM 299 CB MET A 26 -9.624 14.344 -0.835 1.00 0.59 C ATOM 300 CG MET A 26 -10.557 15.540 -1.004 1.00 0.67 C ATOM 301 SD MET A 26 -10.282 16.831 0.226 1.00 0.79 S ATOM 302 CE MET A 26 -9.291 17.991 -0.711 1.00 1.08 C ATOM 0 H MET A 26 -8.619 14.313 -3.169 1.00 0.58 H new ATOM 0 HA MET A 26 -7.862 15.564 -0.643 1.00 0.58 H new ATOM 0 HB2 MET A 26 -9.965 13.537 -1.484 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.698 13.981 0.190 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.422 15.961 -2.000 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.590 15.199 -0.940 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.548 18.446 -0.056 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.787 17.466 -1.523 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.934 18.767 -1.125 1.00 1.08 H new ATOM 312 N ILE A 27 -6.828 12.641 -1.536 1.00 0.52 N ATOM 313 CA ILE A 27 -5.980 11.500 -1.186 1.00 0.50 C ATOM 314 C ILE A 27 -4.508 11.910 -1.078 1.00 0.51 C ATOM 315 O ILE A 27 -4.039 12.780 -1.814 1.00 0.58 O ATOM 316 CB ILE A 27 -6.107 10.371 -2.241 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.579 10.076 -2.561 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.412 9.103 -1.765 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.375 9.562 -1.379 1.00 0.57 C ATOM 0 H ILE A 27 -7.047 12.706 -2.530 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.322 11.136 -0.217 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.619 10.716 -3.152 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.049 10.986 -2.934 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.625 9.341 -3.365 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.515 8.326 -2.522 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.355 9.309 -1.597 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -5.868 8.766 -0.834 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.404 9.378 -1.686 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -7.932 8.634 -1.018 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.362 10.304 -0.581 1.00 0.57 H new ATOM 331 N SER A 28 -3.786 11.275 -0.155 1.00 0.49 N ATOM 332 CA SER A 28 -2.372 11.556 0.054 1.00 0.54 C ATOM 333 C SER A 28 -1.612 10.274 0.398 1.00 0.55 C ATOM 334 O SER A 28 -0.381 10.253 0.407 1.00 0.69 O ATOM 335 CB SER A 28 -2.191 12.588 1.171 1.00 0.61 C ATOM 336 OG SER A 28 -2.736 13.842 0.802 1.00 0.69 O ATOM 0 H SER A 28 -4.164 10.557 0.463 1.00 0.49 H new ATOM 0 HA SER A 28 -1.966 11.964 -0.872 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.674 12.232 2.081 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.131 12.701 1.397 1.00 0.61 H new ATOM 0 HG SER A 28 -2.030 14.522 0.814 1.00 0.69 H new ATOM 342 N ASN A 29 -2.359 9.205 0.681 1.00 0.51 N ATOM 343 CA ASN A 29 -1.764 7.917 1.027 1.00 0.51 C ATOM 344 C ASN A 29 -2.618 6.764 0.496 1.00 0.50 C ATOM 345 O ASN A 29 -3.846 6.809 0.565 1.00 0.51 O ATOM 346 CB ASN A 29 -1.602 7.805 2.548 1.00 0.54 C ATOM 347 CG ASN A 29 -1.104 6.442 2.995 1.00 0.57 C ATOM 348 OD1 ASN A 29 0.091 6.153 2.931 1.00 0.64 O ATOM 349 ND2 ASN A 29 -2.018 5.600 3.460 1.00 0.78 N ATOM 0 H ASN A 29 -3.379 9.208 0.677 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.781 7.854 0.561 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.905 8.570 2.891 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.560 8.010 3.026 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.740 4.673 3.782 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.998 5.880 3.496 1.00 0.78 H new ATOM 356 N LEU A 30 -1.958 5.736 -0.033 1.00 0.54 N ATOM 357 CA LEU A 30 -2.650 4.570 -0.572 1.00 0.56 C ATOM 358 C LEU A 30 -2.129 3.287 0.071 1.00 0.57 C ATOM 359 O LEU A 30 -0.960 3.197 0.438 1.00 0.74 O ATOM 360 CB LEU A 30 -2.474 4.505 -2.093 1.00 0.60 C ATOM 361 CG LEU A 30 -3.241 3.380 -2.796 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.729 3.691 -2.840 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.699 3.160 -4.201 1.00 0.73 C ATOM 0 H LEU A 30 -0.941 5.688 -0.099 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.711 4.665 -0.342 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -2.789 5.458 -2.519 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.413 4.392 -2.314 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.100 2.462 -2.226 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.255 2.880 -3.343 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.109 3.795 -1.824 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -4.890 4.621 -3.385 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.256 2.357 -4.684 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.807 4.077 -4.780 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.645 2.888 -4.146 1.00 0.73 H new ATOM 375 N GLN A 31 -3.010 2.302 0.220 1.00 0.50 N ATOM 376 CA GLN A 31 -2.645 1.019 0.813 1.00 0.51 C ATOM 377 C GLN A 31 -3.280 -0.131 0.033 1.00 0.52 C ATOM 378 O GLN A 31 -4.496 -0.320 0.067 1.00 0.61 O ATOM 379 CB GLN A 31 -3.088 0.957 2.275 1.00 0.54 C ATOM 380 CG GLN A 31 -2.294 1.855 3.208 1.00 0.61 C ATOM 381 CD GLN A 31 -3.068 2.215 4.460 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.772 3.223 4.499 1.00 1.16 O ATOM 383 NE2 GLN A 31 -2.944 1.390 5.493 1.00 1.16 N ATOM 0 H GLN A 31 -3.987 2.369 -0.064 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.560 0.922 0.768 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -4.141 1.231 2.335 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -3.006 -0.072 2.624 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.367 1.354 3.488 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.016 2.768 2.681 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -2.349 0.565 5.418 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -3.443 1.582 6.361 1.00 1.16 H new ATOM 392 N VAL A 32 -2.451 -0.894 -0.674 1.00 0.49 N ATOM 393 CA VAL A 32 -2.933 -2.023 -1.465 1.00 0.51 C ATOM 394 C VAL A 32 -2.742 -3.336 -0.714 1.00 0.50 C ATOM 395 O VAL A 32 -1.618 -3.802 -0.534 1.00 0.61 O ATOM 396 CB VAL A 32 -2.212 -2.106 -2.830 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.887 -3.123 -3.736 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.168 -0.739 -3.499 1.00 0.59 C ATOM 0 H VAL A 32 -1.442 -0.751 -0.716 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.996 -1.859 -1.640 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.188 -2.434 -2.653 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.363 -3.164 -4.691 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.860 -4.105 -3.264 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -3.923 -2.830 -3.904 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.656 -0.820 -4.458 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.184 -0.379 -3.659 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.632 -0.038 -2.859 1.00 0.59 H new ATOM 408 N PHE A 33 -3.851 -3.929 -0.281 1.00 0.48 N ATOM 409 CA PHE A 33 -3.812 -5.189 0.455 1.00 0.49 C ATOM 410 C PHE A 33 -4.196 -6.358 -0.449 1.00 0.52 C ATOM 411 O PHE A 33 -5.258 -6.350 -1.071 1.00 0.57 O ATOM 412 CB PHE A 33 -4.757 -5.134 1.658 1.00 0.52 C ATOM 413 CG PHE A 33 -4.282 -4.232 2.764 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.375 -4.690 3.704 1.00 0.63 C ATOM 415 CD2 PHE A 33 -4.749 -2.931 2.866 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.936 -3.867 4.724 1.00 0.73 C ATOM 417 CE2 PHE A 33 -4.315 -2.103 3.884 1.00 0.68 C ATOM 418 CZ PHE A 33 -3.408 -2.572 4.814 1.00 0.72 C ATOM 0 H PHE A 33 -4.789 -3.556 -0.427 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.792 -5.341 0.808 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.738 -4.796 1.322 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.885 -6.142 2.054 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -3.006 -5.703 3.640 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -5.460 -2.560 2.142 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -2.225 -4.236 5.449 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -4.685 -1.091 3.952 1.00 0.68 H new ATOM 0 HZ PHE A 33 -3.068 -1.927 5.611 1.00 0.72 H new ATOM 428 N ALA A 34 -3.324 -7.363 -0.517 1.00 0.53 N ATOM 429 CA ALA A 34 -3.579 -8.540 -1.342 1.00 0.58 C ATOM 430 C ALA A 34 -4.292 -9.637 -0.547 1.00 0.58 C ATOM 431 O ALA A 34 -4.949 -9.364 0.459 1.00 0.62 O ATOM 432 CB ALA A 34 -2.274 -9.065 -1.924 1.00 0.66 C ATOM 0 H ALA A 34 -2.438 -7.385 -0.012 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.237 -8.243 -2.158 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.476 -9.943 -2.538 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.812 -8.292 -2.538 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.598 -9.337 -1.114 1.00 0.66 H new ATOM 438 N ILE A 35 -4.161 -10.881 -1.013 1.00 0.63 N ATOM 439 CA ILE A 35 -4.786 -12.028 -0.360 1.00 0.65 C ATOM 440 C ILE A 35 -4.084 -12.368 0.957 1.00 0.62 C ATOM 441 O ILE A 35 -2.866 -12.549 0.998 1.00 0.68 O ATOM 442 CB ILE A 35 -4.771 -13.266 -1.289 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.565 -12.978 -2.568 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.331 -14.491 -0.574 1.00 0.80 C ATOM 445 CD1 ILE A 35 -5.466 -14.075 -3.607 1.00 1.14 C ATOM 0 H ILE A 35 -3.623 -11.118 -1.847 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.819 -11.755 -0.145 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.737 -13.479 -1.560 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.613 -12.829 -2.308 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.209 -12.044 -3.003 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.310 -15.347 -1.248 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.726 -14.707 0.306 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.359 -14.296 -0.268 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.053 -13.800 -4.483 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -4.424 -14.209 -3.896 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -5.850 -15.006 -3.190 1.00 1.14 H new ATOM 457 N GLY A 36 -4.868 -12.448 2.029 1.00 0.61 N ATOM 458 CA GLY A 36 -4.325 -12.770 3.336 1.00 0.63 C ATOM 459 C GLY A 36 -5.137 -13.840 4.047 1.00 0.65 C ATOM 460 O GLY A 36 -5.964 -14.506 3.424 1.00 0.66 O ATOM 0 H GLY A 36 -5.876 -12.294 2.014 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.295 -13.111 3.226 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.299 -11.869 3.949 1.00 0.63 H new ATOM 464 N PRO A 37 -4.918 -14.031 5.362 1.00 0.69 N ATOM 465 CA PRO A 37 -5.640 -15.029 6.157 1.00 0.74 C ATOM 466 C PRO A 37 -7.028 -14.549 6.582 1.00 0.72 C ATOM 467 O PRO A 37 -7.816 -15.318 7.135 1.00 0.77 O ATOM 468 CB PRO A 37 -4.745 -15.218 7.396 1.00 0.81 C ATOM 469 CG PRO A 37 -3.545 -14.347 7.190 1.00 0.79 C ATOM 470 CD PRO A 37 -3.944 -13.308 6.182 1.00 0.71 C ATOM 0 HA PRO A 37 -5.814 -15.944 5.590 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.277 -14.937 8.305 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.452 -16.262 7.507 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.237 -13.882 8.126 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.698 -14.931 6.831 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.382 -12.429 6.655 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.093 -12.963 5.594 1.00 0.71 H new ATOM 478 N GLN A 38 -7.321 -13.279 6.324 1.00 0.66 N ATOM 479 CA GLN A 38 -8.620 -12.698 6.691 1.00 0.65 C ATOM 480 C GLN A 38 -9.496 -12.358 5.474 1.00 0.61 C ATOM 481 O GLN A 38 -10.703 -12.176 5.599 1.00 0.62 O ATOM 482 CB GLN A 38 -8.384 -11.455 7.558 1.00 0.65 C ATOM 483 CG GLN A 38 -7.632 -10.327 6.841 1.00 0.60 C ATOM 484 CD GLN A 38 -7.442 -9.137 7.775 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.793 -9.204 8.805 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.969 -8.005 7.374 1.00 0.61 N ATOM 0 H GLN A 38 -6.683 -12.629 5.864 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.173 -13.450 7.254 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.347 -11.075 7.900 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.822 -11.745 8.446 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.662 -10.688 6.500 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.187 -10.017 5.955 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.508 -7.972 6.509 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.839 -7.158 7.927 1.00 0.61 H new ATOM 495 N CYS A 39 -8.860 -12.205 4.317 1.00 0.57 N ATOM 496 CA CYS A 39 -9.572 -11.833 3.100 1.00 0.55 C ATOM 497 C CYS A 39 -8.941 -12.483 1.876 1.00 0.61 C ATOM 498 O CYS A 39 -7.729 -12.685 1.822 1.00 0.71 O ATOM 499 CB CYS A 39 -9.551 -10.308 2.949 1.00 0.49 C ATOM 500 SG CYS A 39 -10.970 -9.609 2.043 1.00 0.47 S ATOM 0 H CYS A 39 -7.855 -12.333 4.197 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.601 -12.185 3.176 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.515 -9.859 3.942 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.633 -10.021 2.436 1.00 0.49 H new ATOM 505 N SER A 40 -9.771 -12.806 0.892 1.00 0.67 N ATOM 506 CA SER A 40 -9.294 -13.421 -0.341 1.00 0.78 C ATOM 507 C SER A 40 -9.622 -12.534 -1.540 1.00 0.74 C ATOM 508 O SER A 40 -9.490 -12.949 -2.690 1.00 0.97 O ATOM 509 CB SER A 40 -9.923 -14.807 -0.516 1.00 0.92 C ATOM 510 OG SER A 40 -9.256 -15.550 -1.522 1.00 1.07 O ATOM 0 H SER A 40 -10.779 -12.652 0.924 1.00 0.67 H new ATOM 0 HA SER A 40 -8.211 -13.532 -0.280 1.00 0.78 H new ATOM 0 HB2 SER A 40 -9.881 -15.350 0.428 1.00 0.92 H new ATOM 0 HB3 SER A 40 -10.976 -14.701 -0.777 1.00 0.92 H new ATOM 0 HG SER A 40 -9.095 -14.976 -2.300 1.00 1.07 H new ATOM 516 N LYS A 41 -10.043 -11.305 -1.252 1.00 0.72 N ATOM 517 CA LYS A 41 -10.400 -10.348 -2.292 1.00 0.69 C ATOM 518 C LYS A 41 -9.483 -9.130 -2.250 1.00 0.68 C ATOM 519 O LYS A 41 -9.188 -8.601 -1.176 1.00 0.70 O ATOM 520 CB LYS A 41 -11.858 -9.909 -2.112 1.00 0.68 C ATOM 521 CG LYS A 41 -12.363 -8.979 -3.204 1.00 0.77 C ATOM 522 CD LYS A 41 -13.723 -8.395 -2.852 1.00 0.88 C ATOM 523 CE LYS A 41 -14.242 -7.488 -3.955 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.528 -6.836 -3.584 1.00 1.29 N ATOM 0 H LYS A 41 -10.145 -10.949 -0.302 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.282 -10.832 -3.262 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.492 -10.795 -2.081 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.960 -9.410 -1.148 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.647 -8.171 -3.356 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.432 -9.525 -4.145 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.434 -9.203 -2.680 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.649 -7.832 -1.922 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.498 -6.722 -4.175 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -14.380 -8.069 -4.867 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.846 -6.227 -4.364 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -16.246 -7.565 -3.399 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.391 -6.260 -2.729 1.00 1.29 H new ATOM 538 N VAL A 42 -9.028 -8.693 -3.422 1.00 0.67 N ATOM 539 CA VAL A 42 -8.161 -7.524 -3.521 1.00 0.68 C ATOM 540 C VAL A 42 -8.968 -6.243 -3.313 1.00 0.67 C ATOM 541 O VAL A 42 -9.947 -5.993 -4.016 1.00 0.75 O ATOM 542 CB VAL A 42 -7.427 -7.464 -4.877 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.251 -8.428 -4.886 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.379 -7.773 -6.029 1.00 0.83 C ATOM 0 H VAL A 42 -9.246 -9.132 -4.316 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.409 -7.612 -2.737 1.00 0.68 H new ATOM 0 HB VAL A 42 -7.049 -6.451 -5.014 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.744 -8.374 -5.849 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.554 -8.159 -4.093 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.612 -9.444 -4.722 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.836 -7.724 -6.973 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.793 -8.773 -5.900 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.189 -7.043 -6.038 1.00 0.83 H new ATOM 554 N GLU A 43 -8.562 -5.446 -2.328 1.00 0.60 N ATOM 555 CA GLU A 43 -9.258 -4.206 -2.006 1.00 0.59 C ATOM 556 C GLU A 43 -8.258 -3.070 -1.823 1.00 0.58 C ATOM 557 O GLU A 43 -7.278 -3.209 -1.089 1.00 0.63 O ATOM 558 CB GLU A 43 -10.101 -4.386 -0.740 1.00 0.60 C ATOM 559 CG GLU A 43 -10.861 -5.704 -0.707 1.00 0.66 C ATOM 560 CD GLU A 43 -11.849 -5.791 0.431 1.00 0.70 C ATOM 561 OE1 GLU A 43 -11.417 -5.764 1.600 1.00 0.75 O ATOM 562 OE2 GLU A 43 -13.058 -5.901 0.151 1.00 0.79 O ATOM 0 H GLU A 43 -7.752 -5.639 -1.738 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.922 -3.952 -2.832 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.451 -4.327 0.133 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.811 -3.563 -0.664 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.391 -5.834 -1.651 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.149 -6.525 -0.625 1.00 0.66 H new ATOM 569 N VAL A 44 -8.503 -1.947 -2.493 1.00 0.55 N ATOM 570 CA VAL A 44 -7.600 -0.805 -2.412 1.00 0.56 C ATOM 571 C VAL A 44 -8.111 0.270 -1.457 1.00 0.54 C ATOM 572 O VAL A 44 -9.063 0.994 -1.746 1.00 0.57 O ATOM 573 CB VAL A 44 -7.333 -0.171 -3.795 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.246 -0.936 -4.531 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.601 -0.123 -4.628 1.00 0.64 C ATOM 0 H VAL A 44 -9.314 -1.805 -3.094 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.663 -1.203 -2.022 1.00 0.56 H new ATOM 0 HB VAL A 44 -6.993 0.852 -3.635 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.071 -0.475 -5.503 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.326 -0.912 -3.948 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.560 -1.970 -4.671 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.383 0.328 -5.596 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -8.978 -1.135 -4.776 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.354 0.473 -4.111 1.00 0.64 H new ATOM 585 N VAL A 45 -7.468 0.345 -0.305 1.00 0.51 N ATOM 586 CA VAL A 45 -7.800 1.347 0.731 1.00 0.50 C ATOM 587 C VAL A 45 -6.911 2.603 0.583 1.00 0.51 C ATOM 588 O VAL A 45 -5.835 2.587 -0.017 1.00 0.54 O ATOM 589 CB VAL A 45 -7.771 0.757 2.160 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.984 -0.741 2.171 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.444 0.824 2.877 1.00 0.67 C ATOM 0 H VAL A 45 -6.702 -0.277 -0.048 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.832 1.658 0.570 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.543 1.363 2.634 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.955 -1.105 3.198 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.954 -0.974 1.731 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.197 -1.225 1.592 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.543 0.382 3.868 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.695 0.274 2.308 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -6.135 1.865 2.973 1.00 0.67 H new ATOM 601 N ALA A 46 -7.466 3.731 0.985 1.00 0.52 N ATOM 602 CA ALA A 46 -6.760 5.028 0.916 1.00 0.54 C ATOM 603 C ALA A 46 -7.044 5.878 2.159 1.00 0.55 C ATOM 604 O ALA A 46 -8.069 5.704 2.827 1.00 0.55 O ATOM 605 CB ALA A 46 -7.184 5.785 -0.348 1.00 0.58 C ATOM 0 H ALA A 46 -8.410 3.791 1.368 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.688 4.833 0.878 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.660 6.740 -0.393 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -6.934 5.192 -1.228 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.259 5.962 -0.323 1.00 0.58 H new ATOM 611 N SER A 47 -6.096 6.750 2.471 1.00 0.57 N ATOM 612 CA SER A 47 -6.222 7.698 3.593 1.00 0.60 C ATOM 613 C SER A 47 -6.043 9.135 3.100 1.00 0.64 C ATOM 614 O SER A 47 -5.108 9.461 2.357 1.00 0.65 O ATOM 615 CB SER A 47 -5.186 7.419 4.681 1.00 0.63 C ATOM 616 OG SER A 47 -5.279 6.057 5.106 1.00 0.62 O ATOM 0 H SER A 47 -5.216 6.828 1.961 1.00 0.57 H new ATOM 0 HA SER A 47 -7.219 7.569 4.014 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.185 7.623 4.302 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.348 8.085 5.528 1.00 0.63 H new ATOM 0 HG SER A 47 -4.611 5.885 5.802 1.00 0.62 H new ATOM 622 N LEU A 48 -6.946 10.003 3.546 1.00 0.66 N ATOM 623 CA LEU A 48 -6.919 11.415 3.179 1.00 0.71 C ATOM 624 C LEU A 48 -5.837 12.162 3.956 1.00 0.74 C ATOM 625 O LEU A 48 -5.203 11.604 4.855 1.00 0.74 O ATOM 626 CB LEU A 48 -8.284 12.059 3.449 1.00 0.72 C ATOM 627 CG LEU A 48 -9.358 11.815 2.382 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.879 10.385 2.446 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.502 12.805 2.549 1.00 0.79 C ATOM 0 H LEU A 48 -7.713 9.749 4.169 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.691 11.482 2.115 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.657 11.689 4.404 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.143 13.134 3.556 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.904 11.964 1.403 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.639 10.240 1.678 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.056 9.690 2.278 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.315 10.200 3.428 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.257 12.620 1.785 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.947 12.683 3.536 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.122 13.821 2.445 1.00 0.79 H new ATOM 641 N LYS A 49 -5.638 13.433 3.612 1.00 0.80 N ATOM 642 CA LYS A 49 -4.636 14.263 4.277 1.00 0.86 C ATOM 643 C LYS A 49 -5.156 14.767 5.624 1.00 0.87 C ATOM 644 O LYS A 49 -4.387 15.236 6.466 1.00 0.93 O ATOM 645 CB LYS A 49 -4.253 15.446 3.377 1.00 0.94 C ATOM 646 CG LYS A 49 -3.078 16.266 3.895 1.00 1.01 C ATOM 647 CD LYS A 49 -1.799 15.444 3.959 1.00 1.07 C ATOM 648 CE LYS A 49 -0.647 16.249 4.539 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.924 16.689 5.936 1.00 1.23 N ATOM 0 H LYS A 49 -6.158 13.911 2.876 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.750 13.655 4.460 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.009 15.069 2.384 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.118 16.100 3.267 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -2.923 17.129 3.247 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.313 16.651 4.887 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -1.966 14.556 4.568 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.536 15.100 2.959 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.262 15.647 4.521 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.463 17.122 3.913 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.037 16.990 6.388 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.593 17.485 5.923 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.335 15.899 6.473 1.00 1.23 H new ATOM 663 N ASN A 50 -6.467 14.651 5.827 1.00 0.84 N ATOM 664 CA ASN A 50 -7.099 15.090 7.069 1.00 0.88 C ATOM 665 C ASN A 50 -6.907 14.060 8.181 1.00 0.84 C ATOM 666 O ASN A 50 -7.199 14.331 9.347 1.00 1.01 O ATOM 667 CB ASN A 50 -8.594 15.334 6.842 1.00 0.90 C ATOM 668 CG ASN A 50 -8.860 16.409 5.805 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.083 17.353 5.657 1.00 1.05 O ATOM 670 ND2 ASN A 50 -9.963 16.270 5.080 1.00 1.01 N ATOM 0 H ASN A 50 -7.114 14.255 5.145 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.622 16.020 7.378 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.066 14.404 6.525 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.059 15.622 7.785 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.195 16.961 4.367 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.579 15.472 5.236 1.00 1.01 H new ATOM 677 N GLY A 51 -6.416 12.878 7.814 1.00 0.70 N ATOM 678 CA GLY A 51 -6.194 11.825 8.789 1.00 0.69 C ATOM 679 C GLY A 51 -7.335 10.829 8.834 1.00 0.64 C ATOM 680 O GLY A 51 -7.666 10.302 9.897 1.00 0.69 O ATOM 0 H GLY A 51 -6.168 12.631 6.856 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.268 11.302 8.550 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.064 12.269 9.776 1.00 0.69 H new ATOM 684 N LYS A 52 -7.938 10.573 7.678 1.00 0.60 N ATOM 685 CA LYS A 52 -9.051 9.635 7.582 1.00 0.57 C ATOM 686 C LYS A 52 -8.703 8.469 6.665 1.00 0.53 C ATOM 687 O LYS A 52 -7.873 8.601 5.779 1.00 0.62 O ATOM 688 CB LYS A 52 -10.302 10.345 7.061 1.00 0.62 C ATOM 689 CG LYS A 52 -10.834 11.416 8.001 1.00 0.70 C ATOM 690 CD LYS A 52 -12.068 12.100 7.433 1.00 0.86 C ATOM 691 CE LYS A 52 -13.249 11.144 7.341 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.460 11.814 6.795 1.00 1.19 N ATOM 0 H LYS A 52 -7.674 11.003 6.792 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.249 9.246 8.581 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.075 10.800 6.097 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.083 9.605 6.888 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.078 10.967 8.964 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.057 12.159 8.183 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.335 12.949 8.062 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -11.842 12.495 6.443 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -12.984 10.299 6.706 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.470 10.743 8.330 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.243 11.131 6.747 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.728 12.605 7.414 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.257 12.175 5.841 1.00 1.19 H new ATOM 706 N GLU A 53 -9.348 7.334 6.892 1.00 0.52 N ATOM 707 CA GLU A 53 -9.126 6.120 6.088 1.00 0.49 C ATOM 708 C GLU A 53 -10.472 5.531 5.647 1.00 0.49 C ATOM 709 O GLU A 53 -11.401 5.382 6.446 1.00 0.51 O ATOM 710 CB GLU A 53 -8.324 5.098 6.904 1.00 0.49 C ATOM 711 CG GLU A 53 -9.111 4.584 8.119 1.00 0.63 C ATOM 712 CD GLU A 53 -8.272 3.750 9.073 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.290 4.323 9.592 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.681 2.594 9.314 1.00 0.69 O ATOM 0 H GLU A 53 -10.039 7.219 7.633 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.555 6.375 5.195 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.053 4.257 6.266 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.393 5.554 7.242 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.526 5.434 8.660 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -9.953 3.987 7.771 1.00 0.63 H new ATOM 721 N ILE A 54 -10.562 5.270 4.365 1.00 0.47 N ATOM 722 CA ILE A 54 -11.777 4.661 3.788 1.00 0.47 C ATOM 723 C ILE A 54 -11.398 3.424 2.963 1.00 0.45 C ATOM 724 O ILE A 54 -10.218 3.113 2.774 1.00 0.43 O ATOM 725 CB ILE A 54 -12.582 5.700 2.982 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.768 6.220 1.782 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.091 6.820 3.908 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.548 7.124 0.822 1.00 0.51 C ATOM 0 H ILE A 54 -9.822 5.462 3.689 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.434 4.325 4.591 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.465 5.221 2.559 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -10.905 6.770 2.157 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.384 5.366 1.224 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.657 7.546 3.324 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.734 6.392 4.677 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.243 7.316 4.379 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -11.895 7.441 0.009 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.396 6.574 0.413 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -12.909 8.000 1.360 1.00 0.51 H new ATOM 740 N CYS A 55 -12.425 2.800 2.408 1.00 0.46 N ATOM 741 CA CYS A 55 -12.262 1.627 1.537 1.00 0.44 C ATOM 742 C CYS A 55 -12.996 1.870 0.227 1.00 0.46 C ATOM 743 O CYS A 55 -14.141 2.312 0.200 1.00 0.49 O ATOM 744 CB CYS A 55 -12.851 0.393 2.206 1.00 0.45 C ATOM 745 SG CYS A 55 -11.910 -0.171 3.668 1.00 0.43 S ATOM 0 H CYS A 55 -13.395 3.084 2.543 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.200 1.468 1.352 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.877 0.608 2.506 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -12.895 -0.418 1.479 1.00 0.45 H new ATOM 750 N LEU A 56 -12.335 1.474 -0.837 1.00 0.46 N ATOM 751 CA LEU A 56 -12.874 1.655 -2.182 1.00 0.49 C ATOM 752 C LEU A 56 -13.159 0.276 -2.786 1.00 0.50 C ATOM 753 O LEU A 56 -12.505 -0.719 -2.454 1.00 0.48 O ATOM 754 CB LEU A 56 -11.798 2.468 -2.917 1.00 0.49 C ATOM 755 CG LEU A 56 -11.437 3.850 -2.361 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.525 4.561 -3.362 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.664 4.713 -2.064 1.00 0.51 C ATOM 0 H LEU A 56 -11.421 1.023 -0.805 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.824 2.187 -2.234 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -10.887 1.870 -2.943 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.124 2.598 -3.949 1.00 0.49 H new ATOM 0 HG LEU A 56 -10.926 3.702 -1.409 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.261 5.546 -2.978 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.618 3.974 -3.509 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.045 4.670 -4.314 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.344 5.679 -1.673 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.234 4.864 -2.981 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.291 4.213 -1.326 1.00 0.51 H new ATOM 769 N ASP A 57 -14.119 0.202 -3.697 1.00 0.53 N ATOM 770 CA ASP A 57 -14.423 -1.063 -4.361 1.00 0.54 C ATOM 771 C ASP A 57 -13.757 -1.113 -5.739 1.00 0.57 C ATOM 772 O ASP A 57 -14.156 -0.377 -6.644 1.00 0.62 O ATOM 773 CB ASP A 57 -15.931 -1.253 -4.508 1.00 0.59 C ATOM 774 CG ASP A 57 -16.357 -2.690 -4.274 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.758 -3.595 -4.891 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.284 -2.910 -3.469 1.00 0.67 O ATOM 0 H ASP A 57 -14.695 0.990 -3.992 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.030 -1.871 -3.744 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.447 -0.604 -3.801 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.238 -0.944 -5.507 1.00 0.59 H new ATOM 781 N PRO A 58 -12.732 -1.983 -5.918 1.00 0.58 N ATOM 782 CA PRO A 58 -12.006 -2.125 -7.202 1.00 0.64 C ATOM 783 C PRO A 58 -12.931 -2.548 -8.338 1.00 0.73 C ATOM 784 O PRO A 58 -12.593 -2.442 -9.517 1.00 0.86 O ATOM 785 CB PRO A 58 -10.974 -3.223 -6.918 1.00 0.68 C ATOM 786 CG PRO A 58 -10.866 -3.300 -5.436 1.00 0.63 C ATOM 787 CD PRO A 58 -12.206 -2.898 -4.891 1.00 0.59 C ATOM 0 HA PRO A 58 -11.562 -1.183 -7.524 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.292 -4.177 -7.338 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.011 -2.982 -7.369 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.604 -4.309 -5.118 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.083 -2.637 -5.069 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.857 -3.760 -4.750 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.115 -2.406 -3.923 1.00 0.59 H new ATOM 795 N GLU A 59 -14.098 -3.036 -7.946 1.00 0.69 N ATOM 796 CA GLU A 59 -15.151 -3.477 -8.872 1.00 0.81 C ATOM 797 C GLU A 59 -15.741 -2.335 -9.728 1.00 0.87 C ATOM 798 O GLU A 59 -16.418 -2.578 -10.726 1.00 0.96 O ATOM 799 CB GLU A 59 -16.249 -4.172 -8.056 1.00 0.84 C ATOM 800 CG GLU A 59 -16.931 -5.276 -8.866 1.00 1.11 C ATOM 801 CD GLU A 59 -17.893 -6.110 -8.027 1.00 1.18 C ATOM 802 OE1 GLU A 59 -17.369 -6.954 -7.275 1.00 1.29 O ATOM 803 OE2 GLU A 59 -19.116 -5.878 -8.156 1.00 1.35 O ATOM 0 H GLU A 59 -14.352 -3.142 -6.964 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.702 -4.167 -9.587 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.817 -4.597 -7.150 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.991 -3.438 -7.742 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.475 -4.828 -9.698 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.171 -5.928 -9.296 1.00 1.11 H new ATOM 810 N ALA A 60 -15.506 -1.095 -9.318 1.00 0.84 N ATOM 811 CA ALA A 60 -16.028 0.072 -10.031 1.00 0.92 C ATOM 812 C ALA A 60 -14.936 0.704 -10.919 1.00 0.95 C ATOM 813 O ALA A 60 -13.829 0.970 -10.442 1.00 0.92 O ATOM 814 CB ALA A 60 -16.559 1.057 -8.993 1.00 0.91 C ATOM 0 H ALA A 60 -14.954 -0.867 -8.491 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.838 -0.219 -10.700 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -16.955 1.938 -9.497 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.352 0.583 -8.414 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.750 1.354 -8.326 1.00 0.91 H new ATOM 820 N PRO A 61 -15.290 1.046 -12.164 1.00 1.04 N ATOM 821 CA PRO A 61 -14.357 1.637 -13.145 1.00 1.08 C ATOM 822 C PRO A 61 -13.850 3.029 -12.743 1.00 1.06 C ATOM 823 O PRO A 61 -12.643 3.265 -12.731 1.00 1.05 O ATOM 824 CB PRO A 61 -15.146 1.678 -14.453 1.00 1.20 C ATOM 825 CG PRO A 61 -16.595 1.828 -13.990 1.00 1.24 C ATOM 826 CD PRO A 61 -16.650 0.959 -12.735 1.00 1.13 C ATOM 0 HA PRO A 61 -13.447 1.043 -13.223 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -14.837 2.513 -15.082 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.003 0.769 -15.037 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -16.843 2.867 -13.772 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.298 1.485 -14.749 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.399 1.324 -12.032 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -16.914 -0.071 -12.977 1.00 1.13 H new ATOM 834 N PHE A 62 -14.757 3.863 -12.222 1.00 1.08 N ATOM 835 CA PHE A 62 -14.412 5.212 -11.726 1.00 1.08 C ATOM 836 C PHE A 62 -13.402 5.155 -10.577 1.00 0.97 C ATOM 837 O PHE A 62 -12.585 6.054 -10.399 1.00 0.97 O ATOM 838 CB PHE A 62 -15.661 5.977 -11.273 1.00 1.15 C ATOM 839 CG PHE A 62 -16.366 5.333 -10.076 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.987 5.669 -8.783 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.403 4.435 -10.292 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.649 5.111 -7.700 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.075 3.890 -9.207 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.692 4.219 -7.918 1.00 1.15 C ATOM 0 H PHE A 62 -15.746 3.630 -12.130 1.00 1.08 H new ATOM 0 HA PHE A 62 -13.955 5.742 -12.562 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.379 6.997 -11.014 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.361 6.042 -12.106 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.177 6.365 -8.621 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.685 4.162 -11.298 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.356 5.368 -6.693 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.897 3.209 -9.368 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.207 3.780 -7.077 1.00 1.15 H new ATOM 854 N LEU A 63 -13.398 4.028 -9.886 1.00 0.89 N ATOM 855 CA LEU A 63 -12.478 3.800 -8.794 1.00 0.79 C ATOM 856 C LEU A 63 -11.081 3.475 -9.329 1.00 0.80 C ATOM 857 O LEU A 63 -10.075 3.835 -8.724 1.00 0.80 O ATOM 858 CB LEU A 63 -12.986 2.654 -7.939 1.00 0.72 C ATOM 859 CG LEU A 63 -12.577 2.718 -6.483 1.00 0.64 C ATOM 860 CD1 LEU A 63 -13.819 2.720 -5.604 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.649 1.557 -6.147 1.00 0.63 C ATOM 0 H LEU A 63 -14.032 3.250 -10.068 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.413 4.705 -8.189 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.074 2.632 -7.995 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.626 1.716 -8.362 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.028 3.641 -6.295 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.523 2.766 -4.556 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.434 3.587 -5.846 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.391 1.809 -5.780 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.361 1.613 -5.097 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.164 0.614 -6.332 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.757 1.612 -6.771 1.00 0.63 H new ATOM 873 N LYS A 64 -11.038 2.797 -10.479 1.00 0.85 N ATOM 874 CA LYS A 64 -9.777 2.421 -11.125 1.00 0.90 C ATOM 875 C LYS A 64 -9.100 3.648 -11.752 1.00 0.94 C ATOM 876 O LYS A 64 -7.916 3.623 -12.091 1.00 0.99 O ATOM 877 CB LYS A 64 -10.037 1.353 -12.192 1.00 1.00 C ATOM 878 CG LYS A 64 -8.777 0.684 -12.720 1.00 1.10 C ATOM 879 CD LYS A 64 -9.064 -0.178 -13.942 1.00 1.26 C ATOM 880 CE LYS A 64 -9.412 0.666 -15.159 1.00 1.46 C ATOM 881 NZ LYS A 64 -9.609 -0.167 -16.378 1.00 1.71 N ATOM 0 H LYS A 64 -11.870 2.495 -10.986 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.106 2.013 -10.369 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.693 0.589 -11.774 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -10.570 1.810 -13.026 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.041 1.446 -12.977 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.337 0.068 -11.936 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.193 -0.795 -14.164 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -9.888 -0.857 -13.723 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.320 1.235 -14.958 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -8.616 1.389 -15.339 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -9.844 0.447 -17.184 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -8.735 -0.691 -16.586 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.386 -0.840 -16.217 1.00 1.71 H new ATOM 895 N LYS A 65 -9.873 4.714 -11.901 1.00 0.94 N ATOM 896 CA LYS A 65 -9.380 5.983 -12.468 1.00 0.99 C ATOM 897 C LYS A 65 -8.626 6.841 -11.450 1.00 0.96 C ATOM 898 O LYS A 65 -7.432 7.095 -11.613 1.00 1.01 O ATOM 899 CB LYS A 65 -10.554 6.778 -13.027 1.00 1.02 C ATOM 900 CG LYS A 65 -11.208 6.057 -14.206 1.00 1.09 C ATOM 901 CD LYS A 65 -12.309 6.919 -14.831 1.00 1.15 C ATOM 902 CE LYS A 65 -11.766 8.203 -15.474 1.00 1.21 C ATOM 903 NZ LYS A 65 -10.852 7.906 -16.587 1.00 1.29 N ATOM 0 H LYS A 65 -10.858 4.735 -11.636 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.673 5.727 -13.257 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.293 6.938 -12.242 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.210 7.762 -13.346 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.454 5.822 -14.957 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.629 5.110 -13.870 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -12.837 6.335 -15.585 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.038 7.182 -14.064 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -12.597 8.809 -15.836 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.244 8.795 -14.722 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -10.651 8.780 -17.114 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -9.964 7.516 -16.212 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.294 7.212 -17.223 1.00 1.29 H new ATOM 917 N VAL A 66 -9.303 7.144 -10.341 1.00 0.90 N ATOM 918 CA VAL A 66 -8.716 7.932 -9.266 1.00 0.88 C ATOM 919 C VAL A 66 -7.472 7.247 -8.681 1.00 0.88 C ATOM 920 O VAL A 66 -6.575 7.924 -8.179 1.00 0.91 O ATOM 921 CB VAL A 66 -9.740 8.208 -8.139 1.00 0.85 C ATOM 922 CG1 VAL A 66 -10.907 9.026 -8.673 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.241 6.911 -7.518 1.00 0.85 C ATOM 0 H VAL A 66 -10.265 6.851 -10.167 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.416 8.884 -9.703 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.236 8.780 -7.360 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.619 9.212 -7.869 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.539 9.977 -9.059 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.400 8.476 -9.474 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -10.959 7.138 -6.730 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.723 6.304 -8.284 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.400 6.361 -7.095 1.00 0.85 H new ATOM 933 N ILE A 67 -7.412 5.905 -8.749 1.00 0.88 N ATOM 934 CA ILE A 67 -6.245 5.180 -8.240 1.00 0.91 C ATOM 935 C ILE A 67 -5.089 5.291 -9.230 1.00 0.98 C ATOM 936 O ILE A 67 -3.927 5.203 -8.843 1.00 1.05 O ATOM 937 CB ILE A 67 -6.523 3.693 -7.918 1.00 0.92 C ATOM 938 CG1 ILE A 67 -6.924 2.921 -9.176 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.594 3.575 -6.842 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.010 1.421 -8.972 1.00 1.00 C ATOM 0 H ILE A 67 -8.144 5.315 -9.144 1.00 0.88 H new ATOM 0 HA ILE A 67 -5.982 5.653 -7.294 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.603 3.249 -7.538 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -7.890 3.287 -9.523 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.202 3.130 -9.965 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -7.779 2.523 -6.626 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.256 4.077 -5.936 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.515 4.040 -7.193 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.299 0.943 -9.908 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.039 1.041 -8.655 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -7.754 1.200 -8.206 1.00 1.00 H new ATOM 952 N GLN A 68 -5.412 5.458 -10.515 1.00 0.99 N ATOM 953 CA GLN A 68 -4.365 5.657 -11.531 1.00 1.08 C ATOM 954 C GLN A 68 -3.726 7.047 -11.384 1.00 1.06 C ATOM 955 O GLN A 68 -2.502 7.177 -11.393 1.00 1.09 O ATOM 956 CB GLN A 68 -4.964 5.507 -12.922 1.00 1.16 C ATOM 957 CG GLN A 68 -3.874 5.515 -13.985 1.00 1.27 C ATOM 958 CD GLN A 68 -4.486 5.388 -15.375 1.00 1.37 C ATOM 959 OE1 GLN A 68 -5.599 5.802 -15.661 1.00 1.41 O ATOM 960 NE2 GLN A 68 -3.702 4.828 -16.266 1.00 1.52 N ATOM 0 H GLN A 68 -6.366 5.460 -10.875 1.00 0.99 H new ATOM 0 HA GLN A 68 -3.591 4.903 -11.387 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -5.529 4.577 -12.981 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -5.667 6.319 -13.109 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.298 6.438 -13.917 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.180 4.693 -13.810 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -2.778 4.493 -15.993 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -4.017 4.728 -17.231 1.00 1.52 H new ATOM 969 N LYS A 69 -4.571 8.057 -11.173 1.00 1.05 N ATOM 970 CA LYS A 69 -4.122 9.444 -11.030 1.00 1.06 C ATOM 971 C LYS A 69 -3.190 9.655 -9.831 1.00 1.08 C ATOM 972 O LYS A 69 -2.289 10.489 -9.893 1.00 1.15 O ATOM 973 CB LYS A 69 -5.328 10.377 -10.903 1.00 1.03 C ATOM 974 CG LYS A 69 -6.216 10.410 -12.137 1.00 1.10 C ATOM 975 CD LYS A 69 -7.376 11.377 -11.954 1.00 1.19 C ATOM 976 CE LYS A 69 -8.242 11.457 -13.202 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.343 12.448 -13.050 1.00 1.58 N ATOM 0 H LYS A 69 -5.581 7.939 -11.097 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.552 9.678 -11.929 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -5.926 10.067 -10.046 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -4.973 11.387 -10.696 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.626 10.705 -13.005 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.601 9.410 -12.338 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.985 11.059 -11.108 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.990 12.368 -11.714 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.623 11.730 -14.057 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.664 10.475 -13.415 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -9.910 12.473 -13.921 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.949 12.174 -12.250 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.940 13.390 -12.872 1.00 1.58 H new ATOM 991 N ILE A 70 -3.402 8.913 -8.740 1.00 1.07 N ATOM 992 CA ILE A 70 -2.557 9.065 -7.551 1.00 1.12 C ATOM 993 C ILE A 70 -1.193 8.398 -7.741 1.00 1.25 C ATOM 994 O ILE A 70 -0.256 8.662 -6.988 1.00 1.37 O ATOM 995 CB ILE A 70 -3.225 8.506 -6.272 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.585 7.029 -6.443 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.458 9.324 -5.915 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.326 6.436 -5.264 1.00 1.19 C ATOM 0 H ILE A 70 -4.138 8.212 -8.655 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.418 10.138 -7.422 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.510 8.584 -5.453 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.197 6.916 -7.338 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -2.670 6.459 -6.608 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.916 8.917 -5.013 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -4.169 10.360 -5.740 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.174 9.281 -6.736 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -4.545 5.387 -5.462 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.709 6.515 -4.369 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.259 6.979 -5.110 1.00 1.19 H new ATOM 1122 N LEU B 8 8.204 20.843 16.113 1.00 0.80 N ATOM 1123 CA LEU B 8 8.644 21.400 14.814 1.00 0.77 C ATOM 1124 C LEU B 8 10.122 21.839 14.897 1.00 0.77 C ATOM 1125 O LEU B 8 10.462 22.967 15.247 1.00 0.79 O ATOM 1126 CB LEU B 8 7.710 22.557 14.414 1.00 0.78 C ATOM 1127 CG LEU B 8 7.932 23.142 13.005 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.646 23.819 12.543 1.00 0.77 C ATOM 1129 CD2 LEU B 8 9.027 24.214 12.954 1.00 0.77 C ATOM 0 HA LEU B 8 8.582 20.638 14.038 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.680 22.208 14.484 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.825 23.360 15.142 1.00 0.78 H new ATOM 0 HG LEU B 8 8.231 22.306 12.373 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.792 24.236 11.547 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.839 23.087 12.515 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.386 24.618 13.237 1.00 0.77 H new ATOM 0 HD21 LEU B 8 9.129 24.581 11.933 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.758 25.041 13.612 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.973 23.783 13.281 1.00 0.77 H new ATOM 1141 N ARG B 9 10.975 20.833 14.799 1.00 0.75 N ATOM 1142 CA ARG B 9 12.433 21.047 14.860 1.00 0.75 C ATOM 1143 C ARG B 9 13.152 20.325 13.720 1.00 0.72 C ATOM 1144 O ARG B 9 13.716 20.957 12.833 1.00 0.71 O ATOM 1145 CB ARG B 9 13.004 20.707 16.247 1.00 0.79 C ATOM 1146 CG ARG B 9 12.738 19.268 16.705 1.00 0.79 C ATOM 1147 CD ARG B 9 13.501 18.928 17.980 1.00 0.82 C ATOM 1148 NE ARG B 9 13.279 17.510 18.318 1.00 0.82 N ATOM 1149 CZ ARG B 9 12.177 16.977 18.850 1.00 0.83 C ATOM 1150 NH1 ARG B 9 11.109 17.714 19.135 1.00 0.85 N ATOM 1151 NH2 ARG B 9 12.146 15.684 19.148 1.00 0.84 N ATOM 0 H ARG B 9 10.696 19.859 14.677 1.00 0.75 H new ATOM 0 HA ARG B 9 12.620 22.111 14.714 1.00 0.75 H new ATOM 0 HB2 ARG B 9 14.080 20.879 16.236 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.579 21.393 16.980 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.670 19.132 16.874 1.00 0.79 H new ATOM 0 HG3 ARG B 9 13.026 18.576 15.914 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.565 19.118 17.842 1.00 0.82 H new ATOM 0 HD3 ARG B 9 13.167 19.565 18.798 1.00 0.82 H new ATOM 0 HE ARG B 9 14.049 16.869 18.125 1.00 0.82 H new ATOM 0 HH11 ARG B 9 11.116 18.717 18.948 1.00 0.85 H new ATOM 0 HH12 ARG B 9 10.282 17.277 19.541 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.963 15.100 18.970 1.00 0.84 H new ATOM 0 HH22 ARG B 9 11.305 15.274 19.555 1.00 0.84 H new ATOM 1165 N GLU B 10 13.075 18.991 13.745 1.00 0.71 N ATOM 1166 CA GLU B 10 13.804 18.112 12.824 1.00 0.68 C ATOM 1167 C GLU B 10 13.052 16.795 12.631 1.00 0.66 C ATOM 1168 O GLU B 10 12.771 16.078 13.593 1.00 0.68 O ATOM 1169 CB GLU B 10 15.196 17.798 13.386 1.00 0.70 C ATOM 1170 CG GLU B 10 16.093 19.039 13.474 1.00 0.72 C ATOM 1171 CD GLU B 10 17.506 18.737 13.974 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.968 17.594 13.756 1.00 0.74 O ATOM 1173 OE2 GLU B 10 18.103 19.670 14.550 1.00 0.77 O ATOM 0 H GLU B 10 12.497 18.484 14.415 1.00 0.71 H new ATOM 0 HA GLU B 10 13.893 18.627 11.867 1.00 0.68 H new ATOM 0 HB2 GLU B 10 15.092 17.359 14.378 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.678 17.051 12.756 1.00 0.70 H new ATOM 0 HG2 GLU B 10 16.156 19.502 12.489 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.629 19.767 14.140 1.00 0.72 H new ATOM 1180 N LEU B 11 12.609 16.608 11.402 1.00 0.63 N ATOM 1181 CA LEU B 11 11.878 15.396 10.995 1.00 0.61 C ATOM 1182 C LEU B 11 12.551 14.756 9.780 1.00 0.58 C ATOM 1183 O LEU B 11 12.995 15.445 8.860 1.00 0.57 O ATOM 1184 CB LEU B 11 10.431 15.764 10.663 1.00 0.60 C ATOM 1185 CG LEU B 11 9.696 16.296 11.891 1.00 0.64 C ATOM 1186 CD1 LEU B 11 9.096 17.668 11.587 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.618 15.307 12.336 1.00 0.64 C ATOM 0 H LEU B 11 12.739 17.284 10.649 1.00 0.63 H new ATOM 0 HA LEU B 11 11.889 14.677 11.814 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.417 16.516 9.874 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.910 14.888 10.277 1.00 0.60 H new ATOM 0 HG LEU B 11 10.405 16.408 12.711 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.574 18.040 12.468 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.892 18.362 11.317 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.393 17.582 10.758 1.00 0.65 H new ATOM 0 HD21 LEU B 11 8.103 15.700 13.212 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.901 15.163 11.528 1.00 0.64 H new ATOM 0 HD23 LEU B 11 9.081 14.352 12.585 1.00 0.64 H new ATOM 1199 N ARG B 12 12.589 13.436 9.820 1.00 0.57 N ATOM 1200 CA ARG B 12 13.269 12.630 8.789 1.00 0.55 C ATOM 1201 C ARG B 12 12.206 11.972 7.914 1.00 0.52 C ATOM 1202 O ARG B 12 11.132 11.609 8.402 1.00 0.52 O ATOM 1203 CB ARG B 12 14.119 11.537 9.463 1.00 0.57 C ATOM 1204 CG ARG B 12 14.954 12.012 10.662 1.00 0.60 C ATOM 1205 CD ARG B 12 15.775 13.254 10.310 1.00 0.61 C ATOM 1206 NE ARG B 12 16.675 13.630 11.400 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.984 13.454 11.300 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.523 12.266 11.541 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.763 14.490 11.046 1.00 0.68 N ATOM 0 H ARG B 12 12.155 12.883 10.559 1.00 0.57 H new ATOM 0 HA ARG B 12 13.917 13.266 8.186 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.458 10.736 9.794 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.790 11.109 8.719 1.00 0.57 H new ATOM 0 HG2 ARG B 12 14.295 12.235 11.501 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.621 11.212 10.984 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.355 13.064 9.407 1.00 0.61 H new ATOM 0 HD3 ARG B 12 15.104 14.084 10.088 1.00 0.61 H new ATOM 0 HE ARG B 12 16.288 14.035 12.252 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.929 11.480 11.805 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.532 12.138 11.462 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.356 15.418 10.928 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.772 14.362 10.968 1.00 0.68 H new ATOM 1223 N CYS B 13 12.521 11.811 6.633 1.00 0.50 N ATOM 1224 CA CYS B 13 11.654 11.055 5.711 1.00 0.48 C ATOM 1225 C CYS B 13 11.395 9.649 6.272 1.00 0.48 C ATOM 1226 O CYS B 13 12.219 9.100 7.004 1.00 0.49 O ATOM 1227 CB CYS B 13 12.339 10.946 4.349 1.00 0.47 C ATOM 1228 SG CYS B 13 12.290 12.478 3.350 1.00 0.48 S ATOM 0 H CYS B 13 13.365 12.189 6.203 1.00 0.50 H new ATOM 0 HA CYS B 13 10.702 11.575 5.602 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.380 10.660 4.502 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.868 10.143 3.783 1.00 0.47 H new ATOM 1233 N VAL B 14 10.236 9.089 5.928 1.00 0.46 N ATOM 1234 CA VAL B 14 9.877 7.715 6.359 1.00 0.46 C ATOM 1235 C VAL B 14 10.895 6.675 5.841 1.00 0.46 C ATOM 1236 O VAL B 14 11.141 5.647 6.465 1.00 0.47 O ATOM 1237 CB VAL B 14 8.408 7.375 6.002 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.099 7.304 4.504 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.953 6.070 6.658 1.00 0.46 C ATOM 0 H VAL B 14 9.527 9.551 5.358 1.00 0.46 H new ATOM 0 HA VAL B 14 9.937 7.673 7.447 1.00 0.46 H new ATOM 0 HB VAL B 14 7.849 8.222 6.400 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.046 7.060 4.361 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.315 8.267 4.042 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.716 6.534 4.041 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.918 5.866 6.384 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.587 5.251 6.317 1.00 0.46 H new ATOM 0 HG23 VAL B 14 8.030 6.161 7.741 1.00 0.46 H new ATOM 1249 N CYS B 15 11.458 6.985 4.677 1.00 0.45 N ATOM 1250 CA CYS B 15 12.470 6.167 3.992 1.00 0.45 C ATOM 1251 C CYS B 15 13.779 6.933 3.820 1.00 0.47 C ATOM 1252 O CYS B 15 13.860 7.872 3.028 1.00 0.47 O ATOM 1253 CB CYS B 15 11.972 5.782 2.603 1.00 0.43 C ATOM 1254 SG CYS B 15 10.676 4.509 2.649 1.00 0.42 S ATOM 0 H CYS B 15 11.220 7.835 4.165 1.00 0.45 H new ATOM 0 HA CYS B 15 12.643 5.282 4.605 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.586 6.669 2.101 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.811 5.419 2.009 1.00 0.43 H new ATOM 1259 N LEU B 16 14.745 6.572 4.654 1.00 0.49 N ATOM 1260 CA LEU B 16 16.105 7.136 4.551 1.00 0.52 C ATOM 1261 C LEU B 16 16.982 6.448 3.493 1.00 0.54 C ATOM 1262 O LEU B 16 17.803 7.091 2.832 1.00 0.55 O ATOM 1263 CB LEU B 16 16.792 7.132 5.920 1.00 0.55 C ATOM 1264 CG LEU B 16 16.108 8.064 6.930 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.805 7.949 8.286 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.119 9.527 6.463 1.00 0.54 C ATOM 0 H LEU B 16 14.624 5.896 5.408 1.00 0.49 H new ATOM 0 HA LEU B 16 15.984 8.165 4.211 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.798 6.116 6.316 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.833 7.434 5.800 1.00 0.55 H new ATOM 0 HG LEU B 16 15.067 7.754 7.016 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.319 8.611 9.002 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.742 6.921 8.642 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.852 8.233 8.182 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.625 10.150 7.208 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.149 9.861 6.336 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.591 9.610 5.513 1.00 0.54 H new ATOM 1278 N GLN B 17 16.770 5.161 3.326 1.00 0.53 N ATOM 1279 CA GLN B 17 17.505 4.303 2.391 1.00 0.55 C ATOM 1280 C GLN B 17 16.578 3.847 1.252 1.00 0.53 C ATOM 1281 O GLN B 17 15.389 4.169 1.213 1.00 0.50 O ATOM 1282 CB GLN B 17 18.126 3.103 3.133 1.00 0.58 C ATOM 1283 CG GLN B 17 17.135 2.048 3.659 1.00 0.56 C ATOM 1284 CD GLN B 17 16.261 2.499 4.837 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.376 3.551 5.444 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.340 1.652 5.218 1.00 0.54 N ATOM 0 H GLN B 17 16.058 4.654 3.851 1.00 0.53 H new ATOM 0 HA GLN B 17 18.322 4.874 1.950 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.828 2.610 2.461 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.704 3.482 3.976 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.483 1.745 2.839 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.697 1.165 3.962 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.226 0.766 4.725 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.736 1.877 6.008 1.00 0.54 H new ATOM 1295 N THR B 18 17.159 3.047 0.377 1.00 0.55 N ATOM 1296 CA THR B 18 16.457 2.466 -0.779 1.00 0.54 C ATOM 1297 C THR B 18 16.658 0.941 -0.847 1.00 0.55 C ATOM 1298 O THR B 18 17.281 0.333 0.026 1.00 0.57 O ATOM 1299 CB THR B 18 16.933 3.201 -2.042 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.153 2.756 -3.147 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.429 3.022 -2.342 1.00 0.60 C ATOM 0 H THR B 18 18.140 2.773 0.439 1.00 0.55 H new ATOM 0 HA THR B 18 15.380 2.604 -0.684 1.00 0.54 H new ATOM 0 HB THR B 18 16.796 4.268 -1.866 1.00 0.56 H new ATOM 0 HG1 THR B 18 16.746 2.502 -3.885 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.687 3.571 -3.248 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.016 3.404 -1.507 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.647 1.964 -2.484 1.00 0.60 H new ATOM 1309 N THR B 19 16.208 0.349 -1.948 1.00 0.55 N ATOM 1310 CA THR B 19 16.285 -1.091 -2.244 1.00 0.57 C ATOM 1311 C THR B 19 16.189 -1.327 -3.762 1.00 0.58 C ATOM 1312 O THR B 19 15.590 -0.544 -4.508 1.00 0.57 O ATOM 1313 CB THR B 19 15.162 -1.842 -1.496 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.283 -1.611 -0.088 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.173 -3.355 -1.718 1.00 0.56 C ATOM 0 H THR B 19 15.758 0.876 -2.696 1.00 0.55 H new ATOM 0 HA THR B 19 17.245 -1.477 -1.901 1.00 0.57 H new ATOM 0 HB THR B 19 14.228 -1.452 -1.900 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.746 -0.831 0.163 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.355 -3.811 -1.160 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.051 -3.568 -2.780 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.121 -3.767 -1.372 1.00 0.56 H new ATOM 1323 N GLN B 20 16.801 -2.427 -4.170 1.00 0.61 N ATOM 1324 CA GLN B 20 16.821 -2.930 -5.547 1.00 0.64 C ATOM 1325 C GLN B 20 16.394 -4.398 -5.631 1.00 0.64 C ATOM 1326 O GLN B 20 17.179 -5.329 -5.818 1.00 0.68 O ATOM 1327 CB GLN B 20 18.187 -2.674 -6.215 1.00 0.68 C ATOM 1328 CG GLN B 20 19.406 -3.401 -5.637 1.00 0.72 C ATOM 1329 CD GLN B 20 19.790 -3.012 -4.206 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.398 -2.023 -3.607 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.658 -3.801 -3.629 1.00 0.73 N ATOM 0 H GLN B 20 17.322 -3.024 -3.528 1.00 0.61 H new ATOM 0 HA GLN B 20 16.078 -2.367 -6.112 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.102 -2.944 -7.268 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.385 -1.603 -6.176 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.214 -4.474 -5.664 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.261 -3.214 -6.287 1.00 0.72 H new ATOM 0 HE21 GLN B 20 20.995 -4.631 -4.116 1.00 0.73 H new ATOM 0 HE22 GLN B 20 20.998 -3.586 -2.692 1.00 0.73 H new ATOM 1340 N GLY B 21 15.088 -4.580 -5.426 1.00 0.61 N ATOM 1341 CA GLY B 21 14.505 -5.908 -5.592 1.00 0.61 C ATOM 1342 C GLY B 21 14.163 -6.176 -7.072 1.00 0.63 C ATOM 1343 O GLY B 21 14.285 -5.265 -7.883 1.00 0.64 O ATOM 0 H GLY B 21 14.433 -3.848 -5.153 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.203 -6.664 -5.233 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.604 -5.993 -4.985 1.00 0.61 H new ATOM 1347 N VAL B 22 13.572 -7.298 -7.470 1.00 0.64 N ATOM 1348 CA VAL B 22 12.943 -8.479 -6.803 1.00 0.63 C ATOM 1349 C VAL B 22 11.660 -8.794 -7.602 1.00 0.62 C ATOM 1350 O VAL B 22 11.384 -8.162 -8.617 1.00 0.63 O ATOM 1351 CB VAL B 22 12.646 -8.337 -5.283 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.498 -7.377 -4.929 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.532 -9.687 -4.564 1.00 0.61 C ATOM 0 H VAL B 22 13.502 -7.442 -8.477 1.00 0.64 H new ATOM 0 HA VAL B 22 13.667 -9.294 -6.819 1.00 0.63 H new ATOM 0 HB VAL B 22 13.536 -7.846 -4.890 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.369 -7.347 -3.847 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.734 -6.377 -5.294 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.576 -7.725 -5.395 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.324 -9.520 -3.507 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.722 -10.267 -5.006 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.469 -10.235 -4.667 1.00 0.61 H new ATOM 1363 N HIS B 23 10.844 -9.716 -7.105 1.00 0.61 N ATOM 1364 CA HIS B 23 9.547 -10.022 -7.713 1.00 0.61 C ATOM 1365 C HIS B 23 8.409 -9.706 -6.720 1.00 0.57 C ATOM 1366 O HIS B 23 8.551 -9.982 -5.522 1.00 0.56 O ATOM 1367 CB HIS B 23 9.539 -11.493 -8.150 1.00 0.64 C ATOM 1368 CG HIS B 23 8.339 -11.813 -9.047 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.098 -12.016 -8.616 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.341 -11.972 -10.366 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.332 -12.317 -9.662 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.103 -12.289 -10.743 1.00 0.68 N ATOM 0 H HIS B 23 11.057 -10.271 -6.276 1.00 0.61 H new ATOM 0 HA HIS B 23 9.384 -9.401 -8.594 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.462 -11.719 -8.684 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.515 -12.134 -7.269 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.195 -11.863 -11.018 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.276 -12.543 -9.636 1.00 0.65 H new ATOM 0 HE2 HIS B 23 6.799 -12.478 -11.698 1.00 0.68 H new ATOM 1380 N PRO B 24 7.277 -9.202 -7.244 1.00 0.57 N ATOM 1381 CA PRO B 24 6.037 -8.949 -6.482 1.00 0.55 C ATOM 1382 C PRO B 24 5.582 -10.162 -5.674 1.00 0.55 C ATOM 1383 O PRO B 24 4.842 -9.997 -4.712 1.00 0.53 O ATOM 1384 CB PRO B 24 4.960 -8.722 -7.533 1.00 0.56 C ATOM 1385 CG PRO B 24 5.722 -8.122 -8.701 1.00 0.58 C ATOM 1386 CD PRO B 24 7.081 -8.807 -8.654 1.00 0.59 C ATOM 0 HA PRO B 24 6.206 -8.120 -5.795 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.469 -9.654 -7.811 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.183 -8.048 -7.172 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.214 -8.311 -9.647 1.00 0.58 H new ATOM 0 HG3 PRO B 24 5.818 -7.041 -8.601 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.105 -9.676 -9.312 1.00 0.59 H new ATOM 0 HD3 PRO B 24 7.871 -8.134 -8.986 1.00 0.59 H new ATOM 1394 N LYS B 25 6.024 -11.354 -6.068 1.00 0.57 N ATOM 1395 CA LYS B 25 5.696 -12.626 -5.410 1.00 0.58 C ATOM 1396 C LYS B 25 5.966 -12.595 -3.893 1.00 0.56 C ATOM 1397 O LYS B 25 5.266 -13.241 -3.123 1.00 0.57 O ATOM 1398 CB LYS B 25 6.526 -13.735 -6.052 1.00 0.61 C ATOM 1399 CG LYS B 25 5.697 -15.014 -6.164 1.00 0.62 C ATOM 1400 CD LYS B 25 6.462 -16.161 -6.825 1.00 0.66 C ATOM 1401 CE LYS B 25 7.573 -16.704 -5.926 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.475 -18.164 -5.841 1.00 0.69 N ATOM 0 H LYS B 25 6.637 -11.470 -6.875 1.00 0.57 H new ATOM 0 HA LYS B 25 4.629 -12.807 -5.541 1.00 0.58 H new ATOM 0 HB2 LYS B 25 6.862 -13.422 -7.041 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.419 -13.922 -5.456 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.378 -15.323 -5.169 1.00 0.62 H new ATOM 0 HG3 LYS B 25 4.794 -14.807 -6.739 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.768 -16.965 -7.070 1.00 0.66 H new ATOM 0 HD3 LYS B 25 6.893 -15.815 -7.765 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.547 -16.418 -6.323 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.494 -16.267 -4.931 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.233 -18.528 -5.229 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.551 -18.427 -5.442 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.571 -18.574 -6.792 1.00 0.69 H new ATOM 1416 N MET B 26 6.937 -11.772 -3.499 1.00 0.55 N ATOM 1417 CA MET B 26 7.278 -11.540 -2.082 1.00 0.55 C ATOM 1418 C MET B 26 6.464 -10.408 -1.433 1.00 0.52 C ATOM 1419 O MET B 26 6.382 -10.302 -0.206 1.00 0.52 O ATOM 1420 CB MET B 26 8.781 -11.280 -1.946 1.00 0.57 C ATOM 1421 CG MET B 26 9.623 -12.516 -2.290 1.00 0.64 C ATOM 1422 SD MET B 26 9.544 -13.857 -1.044 1.00 0.75 S ATOM 1423 CE MET B 26 8.350 -14.964 -1.766 1.00 0.95 C ATOM 0 H MET B 26 7.516 -11.242 -4.150 1.00 0.55 H new ATOM 0 HA MET B 26 7.010 -12.446 -1.538 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.065 -10.457 -2.601 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.002 -10.966 -0.926 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.292 -12.910 -3.251 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.662 -12.210 -2.411 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.709 -15.369 -0.983 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.741 -14.421 -2.489 1.00 0.95 H new ATOM 0 HE3 MET B 26 8.868 -15.780 -2.269 1.00 0.95 H new ATOM 1433 N ILE B 27 5.882 -9.546 -2.258 1.00 0.50 N ATOM 1434 CA ILE B 27 5.097 -8.415 -1.763 1.00 0.48 C ATOM 1435 C ILE B 27 3.615 -8.776 -1.640 1.00 0.49 C ATOM 1436 O ILE B 27 3.068 -9.482 -2.487 1.00 0.56 O ATOM 1437 CB ILE B 27 5.243 -7.185 -2.691 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.711 -6.974 -3.092 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.688 -5.936 -2.016 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.635 -6.682 -1.927 1.00 0.58 C ATOM 0 H ILE B 27 5.937 -9.606 -3.275 1.00 0.50 H new ATOM 0 HA ILE B 27 5.486 -8.168 -0.775 1.00 0.48 H new ATOM 0 HB ILE B 27 4.667 -7.373 -3.597 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.067 -7.865 -3.609 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.767 -6.149 -3.802 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.799 -5.082 -2.684 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.632 -6.084 -1.789 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.235 -5.748 -1.092 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.652 -6.546 -2.295 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.307 -5.774 -1.421 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.611 -7.516 -1.226 1.00 0.58 H new ATOM 1452 N SER B 28 2.973 -8.286 -0.580 1.00 0.47 N ATOM 1453 CA SER B 28 1.558 -8.553 -0.348 1.00 0.54 C ATOM 1454 C SER B 28 0.834 -7.293 0.124 1.00 0.55 C ATOM 1455 O SER B 28 -0.391 -7.287 0.264 1.00 0.70 O ATOM 1456 CB SER B 28 1.393 -9.672 0.686 1.00 0.61 C ATOM 1457 OG SER B 28 1.972 -10.883 0.227 1.00 0.68 O ATOM 0 H SER B 28 3.413 -7.702 0.131 1.00 0.47 H new ATOM 0 HA SER B 28 1.113 -8.870 -1.291 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.860 -9.375 1.625 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.334 -9.827 0.892 1.00 0.61 H new ATOM 0 HG SER B 28 1.594 -11.636 0.727 1.00 0.68 H new ATOM 1463 N ASN B 29 1.595 -6.226 0.367 1.00 0.49 N ATOM 1464 CA ASN B 29 1.022 -4.960 0.822 1.00 0.50 C ATOM 1465 C ASN B 29 1.846 -3.778 0.309 1.00 0.49 C ATOM 1466 O ASN B 29 3.074 -3.806 0.339 1.00 0.49 O ATOM 1467 CB ASN B 29 0.957 -4.929 2.352 1.00 0.54 C ATOM 1468 CG ASN B 29 0.278 -3.679 2.889 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.642 -3.142 2.273 1.00 0.67 O ATOM 1470 ND2 ASN B 29 0.732 -3.211 4.045 1.00 0.83 N ATOM 0 H ASN B 29 2.609 -6.213 0.256 1.00 0.49 H new ATOM 0 HA ASN B 29 0.012 -4.877 0.421 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.420 -5.809 2.706 1.00 0.54 H new ATOM 0 HB3 ASN B 29 1.968 -4.989 2.755 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.316 -2.375 4.456 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.497 -3.687 4.523 1.00 0.83 H new ATOM 1477 N LEU B 30 1.155 -2.741 -0.160 1.00 0.53 N ATOM 1478 CA LEU B 30 1.817 -1.547 -0.676 1.00 0.55 C ATOM 1479 C LEU B 30 1.289 -0.290 0.008 1.00 0.56 C ATOM 1480 O LEU B 30 0.115 -0.210 0.357 1.00 0.75 O ATOM 1481 CB LEU B 30 1.617 -1.437 -2.190 1.00 0.60 C ATOM 1482 CG LEU B 30 2.357 -0.276 -2.861 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.851 -0.555 -2.916 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.807 -0.023 -4.256 1.00 0.75 C ATOM 0 H LEU B 30 0.136 -2.705 -0.193 1.00 0.53 H new ATOM 0 HA LEU B 30 2.882 -1.636 -0.462 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.941 -2.369 -2.652 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.551 -1.334 -2.393 1.00 0.60 H new ATOM 0 HG LEU B 30 2.198 0.622 -2.264 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.360 0.281 -3.396 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.235 -0.681 -1.904 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.030 -1.466 -3.488 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.346 0.806 -4.715 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.932 -0.919 -4.864 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.748 0.226 -4.190 1.00 0.75 H new ATOM 1496 N GLN B 31 2.171 0.687 0.203 1.00 0.50 N ATOM 1497 CA GLN B 31 1.805 1.952 0.831 1.00 0.50 C ATOM 1498 C GLN B 31 2.426 3.121 0.066 1.00 0.51 C ATOM 1499 O GLN B 31 3.641 3.316 0.091 1.00 0.60 O ATOM 1500 CB GLN B 31 2.258 1.982 2.292 1.00 0.53 C ATOM 1501 CG GLN B 31 1.474 1.050 3.202 1.00 0.57 C ATOM 1502 CD GLN B 31 2.195 0.754 4.503 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.965 -0.201 4.596 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.945 1.571 5.519 1.00 1.01 N ATOM 0 H GLN B 31 3.152 0.625 -0.068 1.00 0.50 H new ATOM 0 HA GLN B 31 0.719 2.046 0.804 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.314 1.716 2.340 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.168 3.001 2.669 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.504 1.496 3.423 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.282 0.114 2.677 1.00 0.57 H new ATOM 0 HE21 GLN B 31 1.299 2.351 5.399 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.399 1.418 6.420 1.00 1.01 H new ATOM 1513 N VAL B 32 1.582 3.888 -0.619 1.00 0.49 N ATOM 1514 CA VAL B 32 2.046 5.028 -1.404 1.00 0.51 C ATOM 1515 C VAL B 32 1.917 6.331 -0.617 1.00 0.49 C ATOM 1516 O VAL B 32 0.926 6.553 0.073 1.00 0.61 O ATOM 1517 CB VAL B 32 1.263 5.154 -2.729 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.939 6.147 -3.666 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.120 3.797 -3.401 1.00 0.59 C ATOM 0 H VAL B 32 0.573 3.741 -0.646 1.00 0.49 H new ATOM 0 HA VAL B 32 3.098 4.850 -1.629 1.00 0.51 H new ATOM 0 HB VAL B 32 0.266 5.529 -2.498 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.369 6.219 -4.593 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.981 7.126 -3.189 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.951 5.807 -3.888 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.565 3.909 -4.333 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.109 3.390 -3.614 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.583 3.118 -2.739 1.00 0.59 H new ATOM 1529 N PHE B 33 2.929 7.185 -0.731 1.00 0.48 N ATOM 1530 CA PHE B 33 2.940 8.467 -0.036 1.00 0.48 C ATOM 1531 C PHE B 33 3.182 9.612 -1.014 1.00 0.50 C ATOM 1532 O PHE B 33 4.143 9.584 -1.784 1.00 0.56 O ATOM 1533 CB PHE B 33 4.023 8.475 1.044 1.00 0.53 C ATOM 1534 CG PHE B 33 3.539 8.033 2.394 1.00 0.57 C ATOM 1535 CD1 PHE B 33 2.742 8.868 3.161 1.00 0.70 C ATOM 1536 CD2 PHE B 33 3.880 6.788 2.901 1.00 0.65 C ATOM 1537 CE1 PHE B 33 2.295 8.473 4.407 1.00 0.85 C ATOM 1538 CE2 PHE B 33 3.437 6.388 4.147 1.00 0.78 C ATOM 1539 CZ PHE B 33 2.643 7.231 4.901 1.00 0.86 C ATOM 0 H PHE B 33 3.756 7.011 -1.301 1.00 0.48 H new ATOM 0 HA PHE B 33 1.965 8.607 0.431 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.839 7.824 0.731 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.432 9.482 1.127 1.00 0.53 H new ATOM 0 HD1 PHE B 33 2.467 9.840 2.780 1.00 0.70 H new ATOM 0 HD2 PHE B 33 4.499 6.124 2.315 1.00 0.65 H new ATOM 0 HE1 PHE B 33 1.675 9.134 4.994 1.00 0.85 H new ATOM 0 HE2 PHE B 33 3.711 5.417 4.532 1.00 0.78 H new ATOM 0 HZ PHE B 33 2.295 6.919 5.875 1.00 0.86 H new ATOM 1549 N ALA B 34 2.308 10.617 -0.986 1.00 0.50 N ATOM 1550 CA ALA B 34 2.447 11.768 -1.876 1.00 0.55 C ATOM 1551 C ALA B 34 3.350 12.840 -1.261 1.00 0.54 C ATOM 1552 O ALA B 34 4.569 12.806 -1.427 1.00 0.58 O ATOM 1553 CB ALA B 34 1.080 12.346 -2.216 1.00 0.61 C ATOM 0 H ALA B 34 1.502 10.658 -0.362 1.00 0.50 H new ATOM 0 HA ALA B 34 2.918 11.426 -2.797 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.202 13.202 -2.879 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.477 11.586 -2.712 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.582 12.664 -1.300 1.00 0.61 H new ATOM 1559 N ILE B 35 2.744 13.787 -0.544 1.00 0.60 N ATOM 1560 CA ILE B 35 3.491 14.872 0.087 1.00 0.63 C ATOM 1561 C ILE B 35 3.203 14.925 1.586 1.00 0.59 C ATOM 1562 O ILE B 35 2.046 15.001 2.003 1.00 0.63 O ATOM 1563 CB ILE B 35 3.146 16.239 -0.552 1.00 0.75 C ATOM 1564 CG1 ILE B 35 3.445 16.217 -2.057 1.00 0.90 C ATOM 1565 CG2 ILE B 35 3.921 17.362 0.128 1.00 0.77 C ATOM 1566 CD1 ILE B 35 2.938 17.436 -2.799 1.00 1.10 C ATOM 0 H ILE B 35 1.737 13.823 -0.386 1.00 0.60 H new ATOM 0 HA ILE B 35 4.551 14.671 -0.070 1.00 0.63 H new ATOM 0 HB ILE B 35 2.081 16.424 -0.412 1.00 0.75 H new ATOM 0 HG12 ILE B 35 4.522 16.137 -2.203 1.00 0.90 H new ATOM 0 HG13 ILE B 35 2.997 15.325 -2.494 1.00 0.90 H new ATOM 0 HG21 ILE B 35 3.664 18.314 -0.336 1.00 0.77 H new ATOM 0 HG22 ILE B 35 3.663 17.393 1.187 1.00 0.77 H new ATOM 0 HG23 ILE B 35 4.991 17.183 0.020 1.00 0.77 H new ATOM 0 HD11 ILE B 35 3.187 17.348 -3.857 1.00 1.10 H new ATOM 0 HD12 ILE B 35 1.856 17.507 -2.685 1.00 1.10 H new ATOM 0 HD13 ILE B 35 3.406 18.332 -2.390 1.00 1.10 H new ATOM 1578 N GLY B 36 4.263 14.878 2.390 1.00 0.58 N ATOM 1579 CA GLY B 36 4.106 14.923 3.830 1.00 0.59 C ATOM 1580 C GLY B 36 4.801 16.120 4.456 1.00 0.63 C ATOM 1581 O GLY B 36 5.548 16.828 3.780 1.00 0.63 O ATOM 0 H GLY B 36 5.228 14.809 2.067 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.044 14.955 4.075 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.506 14.007 4.264 1.00 0.59 H new ATOM 1585 N PRO B 37 4.562 16.378 5.756 1.00 0.67 N ATOM 1586 CA PRO B 37 5.178 17.499 6.475 1.00 0.73 C ATOM 1587 C PRO B 37 6.618 17.208 6.893 1.00 0.71 C ATOM 1588 O PRO B 37 7.323 18.091 7.382 1.00 0.77 O ATOM 1589 CB PRO B 37 4.288 17.660 7.722 1.00 0.79 C ATOM 1590 CG PRO B 37 3.168 16.680 7.569 1.00 0.77 C ATOM 1591 CD PRO B 37 3.663 15.620 6.630 1.00 0.69 C ATOM 0 HA PRO B 37 5.236 18.392 5.852 1.00 0.73 H new ATOM 0 HB2 PRO B 37 4.855 17.463 8.632 1.00 0.79 H new ATOM 0 HB3 PRO B 37 3.906 18.678 7.798 1.00 0.79 H new ATOM 0 HG2 PRO B 37 2.894 16.249 8.532 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.277 17.166 7.172 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.185 14.821 7.156 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.849 15.156 6.073 1.00 0.69 H new ATOM 1599 N GLN B 38 7.050 15.965 6.695 1.00 0.65 N ATOM 1600 CA GLN B 38 8.414 15.555 7.063 1.00 0.65 C ATOM 1601 C GLN B 38 9.296 15.230 5.846 1.00 0.61 C ATOM 1602 O GLN B 38 10.518 15.188 5.947 1.00 0.63 O ATOM 1603 CB GLN B 38 8.334 14.352 8.013 1.00 0.65 C ATOM 1604 CG GLN B 38 7.696 13.105 7.392 1.00 0.59 C ATOM 1605 CD GLN B 38 7.657 11.967 8.407 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.028 12.033 9.447 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.296 10.874 8.064 1.00 0.61 N ATOM 0 H GLN B 38 6.483 15.223 6.284 1.00 0.65 H new ATOM 0 HA GLN B 38 8.892 16.399 7.561 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.340 14.102 8.351 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.763 14.638 8.896 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.685 13.335 7.055 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.263 12.798 6.513 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.817 10.841 7.188 1.00 0.61 H new ATOM 0 HE22 GLN B 38 8.272 10.057 8.674 1.00 0.61 H new ATOM 1616 N CYS B 39 8.651 14.929 4.719 1.00 0.56 N ATOM 1617 CA CYS B 39 9.364 14.558 3.500 1.00 0.54 C ATOM 1618 C CYS B 39 8.775 15.271 2.284 1.00 0.59 C ATOM 1619 O CYS B 39 7.583 15.577 2.250 1.00 0.67 O ATOM 1620 CB CYS B 39 9.287 13.037 3.312 1.00 0.48 C ATOM 1621 SG CYS B 39 10.588 12.326 2.246 1.00 0.47 S ATOM 0 H CYS B 39 7.635 14.935 4.626 1.00 0.56 H new ATOM 0 HA CYS B 39 10.406 14.863 3.594 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.340 12.562 4.291 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.314 12.787 2.889 1.00 0.48 H new ATOM 1626 N SER B 40 9.615 15.527 1.288 1.00 0.64 N ATOM 1627 CA SER B 40 9.179 16.207 0.073 1.00 0.73 C ATOM 1628 C SER B 40 9.004 15.221 -1.078 1.00 0.72 C ATOM 1629 O SER B 40 7.941 15.162 -1.698 1.00 1.00 O ATOM 1630 CB SER B 40 10.187 17.288 -0.320 1.00 0.87 C ATOM 1631 OG SER B 40 9.744 18.016 -1.453 1.00 1.01 O ATOM 0 H SER B 40 10.603 15.274 1.297 1.00 0.64 H new ATOM 0 HA SER B 40 8.214 16.671 0.277 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.338 17.970 0.517 1.00 0.87 H new ATOM 0 HB3 SER B 40 11.152 16.828 -0.535 1.00 0.87 H new ATOM 0 HG SER B 40 10.407 18.701 -1.681 1.00 1.01 H new ATOM 1637 N LYS B 41 10.052 14.451 -1.357 1.00 0.66 N ATOM 1638 CA LYS B 41 10.022 13.467 -2.436 1.00 0.64 C ATOM 1639 C LYS B 41 9.134 12.279 -2.071 1.00 0.61 C ATOM 1640 O LYS B 41 9.072 11.875 -0.908 1.00 0.61 O ATOM 1641 CB LYS B 41 11.441 12.981 -2.747 1.00 0.64 C ATOM 1642 CG LYS B 41 11.510 11.987 -3.897 1.00 0.71 C ATOM 1643 CD LYS B 41 12.923 11.473 -4.112 1.00 0.81 C ATOM 1644 CE LYS B 41 12.936 10.264 -5.034 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.305 9.707 -5.202 1.00 1.16 N ATOM 0 H LYS B 41 10.936 14.490 -0.849 1.00 0.66 H new ATOM 0 HA LYS B 41 9.605 13.948 -3.321 1.00 0.64 H new ATOM 0 HB2 LYS B 41 12.066 13.842 -2.985 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.861 12.519 -1.854 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.845 11.148 -3.693 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.153 12.462 -4.811 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.539 12.265 -4.538 1.00 0.81 H new ATOM 0 HD3 LYS B 41 13.365 11.206 -3.152 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.278 9.494 -4.632 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.537 10.547 -6.008 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.254 8.670 -5.254 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.725 10.077 -6.078 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.894 9.984 -4.391 1.00 1.16 H new ATOM 1659 N VAL B 42 8.445 11.731 -3.069 1.00 0.61 N ATOM 1660 CA VAL B 42 7.566 10.588 -2.854 1.00 0.62 C ATOM 1661 C VAL B 42 8.374 9.311 -2.633 1.00 0.60 C ATOM 1662 O VAL B 42 9.404 9.089 -3.276 1.00 0.68 O ATOM 1663 CB VAL B 42 6.587 10.388 -4.034 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.839 11.680 -4.331 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.315 9.892 -5.278 1.00 0.78 C ATOM 0 H VAL B 42 8.479 12.061 -4.034 1.00 0.61 H new ATOM 0 HA VAL B 42 6.983 10.800 -1.958 1.00 0.62 H new ATOM 0 HB VAL B 42 5.864 9.626 -3.744 1.00 0.68 H new ATOM 0 HG11 VAL B 42 5.154 11.521 -5.164 1.00 0.72 H new ATOM 0 HG12 VAL B 42 5.274 11.984 -3.450 1.00 0.72 H new ATOM 0 HG13 VAL B 42 6.552 12.462 -4.592 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.600 9.761 -6.090 1.00 0.78 H new ATOM 0 HG22 VAL B 42 8.070 10.621 -5.573 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.797 8.939 -5.062 1.00 0.78 H new ATOM 1675 N GLU B 43 7.916 8.488 -1.699 1.00 0.56 N ATOM 1676 CA GLU B 43 8.590 7.232 -1.389 1.00 0.54 C ATOM 1677 C GLU B 43 7.573 6.101 -1.276 1.00 0.53 C ATOM 1678 O GLU B 43 6.569 6.229 -0.573 1.00 0.57 O ATOM 1679 CB GLU B 43 9.388 7.366 -0.088 1.00 0.54 C ATOM 1680 CG GLU B 43 10.185 8.659 -0.004 1.00 0.61 C ATOM 1681 CD GLU B 43 11.116 8.707 1.184 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.627 8.652 2.329 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.338 8.811 0.966 1.00 0.77 O ATOM 0 H GLU B 43 7.080 8.667 -1.142 1.00 0.56 H new ATOM 0 HA GLU B 43 9.282 6.997 -2.198 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.703 7.314 0.758 1.00 0.54 H new ATOM 0 HB3 GLU B 43 10.070 6.520 0.001 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.766 8.780 -0.918 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.495 9.501 0.049 1.00 0.61 H new ATOM 1690 N VAL B 44 7.832 4.996 -1.969 1.00 0.51 N ATOM 1691 CA VAL B 44 6.917 3.860 -1.954 1.00 0.51 C ATOM 1692 C VAL B 44 7.384 2.755 -1.012 1.00 0.49 C ATOM 1693 O VAL B 44 8.339 2.031 -1.288 1.00 0.53 O ATOM 1694 CB VAL B 44 6.696 3.270 -3.364 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.646 4.068 -4.120 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.994 3.231 -4.150 1.00 0.59 C ATOM 0 H VAL B 44 8.663 4.863 -2.545 1.00 0.51 H new ATOM 0 HA VAL B 44 5.969 4.253 -1.587 1.00 0.51 H new ATOM 0 HB VAL B 44 6.339 2.247 -3.245 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.505 3.637 -5.111 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.703 4.038 -3.574 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.976 5.102 -4.218 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.808 2.811 -5.139 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.387 4.242 -4.253 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.720 2.612 -3.623 1.00 0.59 H new ATOM 1706 N VAL B 45 6.697 2.652 0.112 1.00 0.47 N ATOM 1707 CA VAL B 45 6.981 1.618 1.129 1.00 0.46 C ATOM 1708 C VAL B 45 6.087 0.375 0.911 1.00 0.48 C ATOM 1709 O VAL B 45 5.033 0.420 0.273 1.00 0.51 O ATOM 1710 CB VAL B 45 6.904 2.166 2.573 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.359 3.606 2.668 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.517 2.305 3.155 1.00 0.62 C ATOM 0 H VAL B 45 5.927 3.273 0.358 1.00 0.47 H new ATOM 0 HA VAL B 45 8.016 1.302 0.997 1.00 0.46 H new ATOM 0 HB VAL B 45 7.513 1.427 3.094 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.286 3.943 3.702 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.393 3.684 2.333 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.726 4.230 2.037 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.586 2.697 4.170 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.931 2.989 2.540 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.032 1.329 3.176 1.00 0.62 H new ATOM 1722 N ALA B 46 6.615 -0.771 1.300 1.00 0.48 N ATOM 1723 CA ALA B 46 5.901 -2.057 1.169 1.00 0.51 C ATOM 1724 C ALA B 46 6.130 -2.944 2.396 1.00 0.51 C ATOM 1725 O ALA B 46 7.131 -2.800 3.103 1.00 0.50 O ATOM 1726 CB ALA B 46 6.363 -2.783 -0.100 1.00 0.55 C ATOM 0 H ALA B 46 7.543 -0.852 1.715 1.00 0.48 H new ATOM 0 HA ALA B 46 4.833 -1.849 1.098 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.832 -3.731 -0.191 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.151 -2.164 -0.971 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.435 -2.971 -0.042 1.00 0.55 H new ATOM 1732 N SER B 47 5.165 -3.816 2.646 1.00 0.54 N ATOM 1733 CA SER B 47 5.239 -4.797 3.743 1.00 0.57 C ATOM 1734 C SER B 47 5.065 -6.218 3.203 1.00 0.60 C ATOM 1735 O SER B 47 4.156 -6.513 2.415 1.00 0.63 O ATOM 1736 CB SER B 47 4.165 -4.539 4.800 1.00 0.60 C ATOM 1737 OG SER B 47 4.255 -3.191 5.268 1.00 0.58 O ATOM 0 H SER B 47 4.305 -3.872 2.100 1.00 0.54 H new ATOM 0 HA SER B 47 6.221 -4.690 4.203 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.177 -4.721 4.378 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.289 -5.231 5.633 1.00 0.60 H new ATOM 0 HG SER B 47 3.563 -3.032 5.944 1.00 0.58 H new ATOM 1743 N LEU B 48 5.945 -7.112 3.638 1.00 0.62 N ATOM 1744 CA LEU B 48 5.900 -8.506 3.213 1.00 0.67 C ATOM 1745 C LEU B 48 4.889 -9.294 4.041 1.00 0.71 C ATOM 1746 O LEU B 48 4.358 -8.792 5.034 1.00 0.70 O ATOM 1747 CB LEU B 48 7.285 -9.152 3.336 1.00 0.68 C ATOM 1748 CG LEU B 48 8.235 -8.898 2.162 1.00 0.70 C ATOM 1749 CD1 LEU B 48 8.841 -7.504 2.243 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.328 -9.955 2.128 1.00 0.75 C ATOM 0 H LEU B 48 6.701 -6.895 4.287 1.00 0.62 H new ATOM 0 HA LEU B 48 5.590 -8.527 2.168 1.00 0.67 H new ATOM 0 HB2 LEU B 48 7.757 -8.788 4.249 1.00 0.68 H new ATOM 0 HB3 LEU B 48 7.156 -10.228 3.451 1.00 0.68 H new ATOM 0 HG LEU B 48 7.660 -8.962 1.238 1.00 0.70 H new ATOM 0 HD11 LEU B 48 9.512 -7.349 1.398 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.045 -6.759 2.216 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.400 -7.404 3.173 1.00 0.70 H new ATOM 0 HD21 LEU B 48 9.995 -9.761 1.288 1.00 0.75 H new ATOM 0 HD22 LEU B 48 9.896 -9.921 3.058 1.00 0.75 H new ATOM 0 HD23 LEU B 48 8.877 -10.941 2.013 1.00 0.75 H new ATOM 1762 N LYS B 49 4.633 -10.533 3.630 1.00 0.76 N ATOM 1763 CA LYS B 49 3.682 -11.394 4.329 1.00 0.82 C ATOM 1764 C LYS B 49 4.310 -11.999 5.588 1.00 0.84 C ATOM 1765 O LYS B 49 3.603 -12.441 6.495 1.00 0.89 O ATOM 1766 CB LYS B 49 3.192 -12.506 3.392 1.00 0.89 C ATOM 1767 CG LYS B 49 2.009 -13.294 3.936 1.00 0.98 C ATOM 1768 CD LYS B 49 0.789 -12.407 4.140 1.00 1.05 C ATOM 1769 CE LYS B 49 -0.358 -13.176 4.776 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.018 -13.738 6.104 1.00 1.27 N ATOM 0 H LYS B 49 5.071 -10.964 2.816 1.00 0.76 H new ATOM 0 HA LYS B 49 2.831 -10.786 4.635 1.00 0.82 H new ATOM 0 HB2 LYS B 49 2.913 -12.065 2.435 1.00 0.89 H new ATOM 0 HB3 LYS B 49 4.015 -13.193 3.198 1.00 0.89 H new ATOM 0 HG2 LYS B 49 1.761 -14.101 3.247 1.00 0.98 H new ATOM 0 HG3 LYS B 49 2.285 -13.757 4.883 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.055 -11.560 4.772 1.00 1.05 H new ATOM 0 HD3 LYS B 49 0.469 -12.001 3.181 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -1.218 -12.516 4.891 1.00 1.23 H new ATOM 0 HE3 LYS B 49 -0.664 -13.985 4.113 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.836 -13.855 6.686 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 0.477 -14.662 5.973 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.676 -13.089 6.582 1.00 1.27 H new ATOM 1784 N ASN B 50 5.639 -12.003 5.637 1.00 0.81 N ATOM 1785 CA ASN B 50 6.366 -12.552 6.779 1.00 0.84 C ATOM 1786 C ASN B 50 6.430 -11.543 7.926 1.00 0.80 C ATOM 1787 O ASN B 50 6.562 -11.923 9.089 1.00 0.97 O ATOM 1788 CB ASN B 50 7.784 -12.950 6.362 1.00 0.86 C ATOM 1789 CG ASN B 50 7.797 -14.008 5.278 1.00 0.94 C ATOM 1790 OD1 ASN B 50 6.905 -14.854 5.205 1.00 0.99 O ATOM 1791 ND2 ASN B 50 8.811 -13.966 4.423 1.00 0.97 N ATOM 0 H ASN B 50 6.236 -11.632 4.898 1.00 0.81 H new ATOM 0 HA ASN B 50 5.830 -13.436 7.125 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.316 -12.067 6.009 1.00 0.86 H new ATOM 0 HB3 ASN B 50 8.324 -13.321 7.233 1.00 0.86 H new ATOM 0 HD21 ASN B 50 8.872 -14.651 3.670 1.00 0.97 H new ATOM 0 HD22 ASN B 50 9.529 -13.248 4.519 1.00 0.97 H new ATOM 1798 N GLY B 51 6.333 -10.261 7.586 1.00 0.67 N ATOM 1799 CA GLY B 51 6.385 -9.220 8.597 1.00 0.65 C ATOM 1800 C GLY B 51 7.588 -8.316 8.429 1.00 0.60 C ATOM 1801 O GLY B 51 8.184 -7.872 9.411 1.00 0.67 O ATOM 0 H GLY B 51 6.219 -9.925 6.630 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.475 -8.623 8.548 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.412 -9.678 9.586 1.00 0.65 H new ATOM 1805 N LYS B 52 7.954 -8.046 7.182 1.00 0.57 N ATOM 1806 CA LYS B 52 9.092 -7.185 6.888 1.00 0.55 C ATOM 1807 C LYS B 52 8.647 -5.941 6.129 1.00 0.51 C ATOM 1808 O LYS B 52 7.602 -5.939 5.491 1.00 0.60 O ATOM 1809 CB LYS B 52 10.140 -7.944 6.069 1.00 0.59 C ATOM 1810 CG LYS B 52 10.820 -9.069 6.835 1.00 0.66 C ATOM 1811 CD LYS B 52 11.853 -9.788 5.979 1.00 0.79 C ATOM 1812 CE LYS B 52 13.049 -8.898 5.674 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.080 -9.609 4.866 1.00 1.05 N ATOM 0 H LYS B 52 7.478 -8.412 6.357 1.00 0.57 H new ATOM 0 HA LYS B 52 9.535 -6.877 7.835 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.663 -8.358 5.181 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.898 -7.241 5.725 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.303 -8.664 7.724 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.070 -9.782 7.176 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.191 -10.687 6.494 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.392 -10.110 5.045 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.714 -8.012 5.136 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.493 -8.554 6.608 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 14.878 -8.968 4.680 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.419 -10.441 5.390 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 13.664 -9.915 3.963 1.00 1.05 H new ATOM 1827 N GLU B 53 9.441 -4.885 6.217 1.00 0.53 N ATOM 1828 CA GLU B 53 9.135 -3.623 5.521 1.00 0.50 C ATOM 1829 C GLU B 53 10.424 -3.008 4.965 1.00 0.50 C ATOM 1830 O GLU B 53 11.440 -2.906 5.660 1.00 0.52 O ATOM 1831 CB GLU B 53 8.437 -2.655 6.484 1.00 0.51 C ATOM 1832 CG GLU B 53 9.358 -2.215 7.629 1.00 0.66 C ATOM 1833 CD GLU B 53 8.639 -1.442 8.720 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.722 -2.047 9.312 1.00 0.67 O ATOM 1835 OE2 GLU B 53 9.082 -0.304 8.983 1.00 0.71 O ATOM 0 H GLU B 53 10.304 -4.867 6.761 1.00 0.53 H new ATOM 0 HA GLU B 53 8.463 -3.822 4.686 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.099 -1.777 5.933 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.549 -3.133 6.897 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.826 -3.096 8.067 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.159 -1.597 7.224 1.00 0.66 H new ATOM 1842 N ILE B 54 10.368 -2.668 3.697 1.00 0.47 N ATOM 1843 CA ILE B 54 11.512 -2.024 3.024 1.00 0.47 C ATOM 1844 C ILE B 54 11.048 -0.738 2.324 1.00 0.45 C ATOM 1845 O ILE B 54 9.855 -0.419 2.290 1.00 0.43 O ATOM 1846 CB ILE B 54 12.214 -3.009 2.068 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.268 -3.458 0.940 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.820 -4.183 2.860 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.927 -4.301 -0.154 1.00 0.49 C ATOM 0 H ILE B 54 9.555 -2.819 3.100 1.00 0.47 H new ATOM 0 HA ILE B 54 12.257 -1.739 3.766 1.00 0.47 H new ATOM 0 HB ILE B 54 13.043 -2.500 1.576 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.450 -4.031 1.377 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.827 -2.573 0.481 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.312 -4.870 2.172 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.549 -3.802 3.575 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.028 -4.709 3.394 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.183 -4.570 -0.904 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.725 -3.727 -0.624 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.343 -5.208 0.286 1.00 0.49 H new ATOM 1861 N CYS B 55 12.009 -0.081 1.693 1.00 0.45 N ATOM 1862 CA CYS B 55 11.754 1.141 0.920 1.00 0.44 C ATOM 1863 C CYS B 55 12.332 0.982 -0.478 1.00 0.45 C ATOM 1864 O CYS B 55 13.464 0.543 -0.663 1.00 0.48 O ATOM 1865 CB CYS B 55 12.423 2.335 1.592 1.00 0.44 C ATOM 1866 SG CYS B 55 11.657 2.807 3.181 1.00 0.44 S ATOM 0 H CYS B 55 12.987 -0.372 1.697 1.00 0.45 H new ATOM 0 HA CYS B 55 10.678 1.308 0.868 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.475 2.104 1.760 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.389 3.188 0.915 1.00 0.44 H new ATOM 1871 N LEU B 56 11.555 1.440 -1.433 1.00 0.44 N ATOM 1872 CA LEU B 56 11.935 1.343 -2.838 1.00 0.47 C ATOM 1873 C LEU B 56 12.157 2.757 -3.386 1.00 0.48 C ATOM 1874 O LEU B 56 11.551 3.727 -2.922 1.00 0.46 O ATOM 1875 CB LEU B 56 10.780 0.574 -3.495 1.00 0.46 C ATOM 1876 CG LEU B 56 10.475 -0.841 -2.986 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.451 -1.490 -3.917 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.725 -1.718 -2.882 1.00 0.49 C ATOM 0 H LEU B 56 10.652 1.886 -1.269 1.00 0.44 H new ATOM 0 HA LEU B 56 12.870 0.817 -3.029 1.00 0.47 H new ATOM 0 HB2 LEU B 56 9.875 1.171 -3.383 1.00 0.46 H new ATOM 0 HB3 LEU B 56 10.988 0.507 -4.563 1.00 0.46 H new ATOM 0 HG LEU B 56 10.075 -0.754 -1.976 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.226 -2.497 -3.565 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.537 -0.896 -3.924 1.00 0.47 H new ATOM 0 HD13 LEU B 56 9.858 -1.541 -4.927 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.447 -2.707 -2.517 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.187 -1.811 -3.865 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.433 -1.262 -2.190 1.00 0.49 H new ATOM 1890 N ASP B 57 12.983 2.879 -4.415 1.00 0.50 N ATOM 1891 CA ASP B 57 13.224 4.181 -5.030 1.00 0.52 C ATOM 1892 C ASP B 57 12.455 4.298 -6.350 1.00 0.54 C ATOM 1893 O ASP B 57 12.794 3.626 -7.324 1.00 0.59 O ATOM 1894 CB ASP B 57 14.717 4.392 -5.280 1.00 0.57 C ATOM 1895 CG ASP B 57 15.124 5.848 -5.154 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.326 6.725 -5.545 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.240 6.111 -4.660 1.00 0.63 O ATOM 0 H ASP B 57 13.493 2.104 -4.839 1.00 0.50 H new ATOM 0 HA ASP B 57 12.872 4.951 -4.344 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.289 3.795 -4.570 1.00 0.57 H new ATOM 0 HB3 ASP B 57 14.970 4.032 -6.277 1.00 0.57 H new ATOM 1902 N PRO B 58 11.406 5.158 -6.398 1.00 0.55 N ATOM 1903 CA PRO B 58 10.586 5.363 -7.612 1.00 0.61 C ATOM 1904 C PRO B 58 11.417 5.893 -8.778 1.00 0.69 C ATOM 1905 O PRO B 58 10.989 5.881 -9.933 1.00 0.83 O ATOM 1906 CB PRO B 58 9.546 6.407 -7.185 1.00 0.64 C ATOM 1907 CG PRO B 58 9.559 6.406 -5.696 1.00 0.60 C ATOM 1908 CD PRO B 58 10.944 5.999 -5.279 1.00 0.57 C ATOM 0 HA PRO B 58 10.145 4.430 -7.964 1.00 0.61 H new ATOM 0 HB2 PRO B 58 9.797 7.392 -7.578 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.557 6.154 -7.568 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.311 7.393 -5.306 1.00 0.60 H new ATOM 0 HG3 PRO B 58 8.816 5.712 -5.303 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.590 6.865 -5.134 1.00 0.57 H new ATOM 0 HD3 PRO B 58 10.934 5.447 -4.339 1.00 0.57 H new ATOM 1916 N GLU B 59 12.607 6.363 -8.437 1.00 0.65 N ATOM 1917 CA GLU B 59 13.578 6.900 -9.398 1.00 0.77 C ATOM 1918 C GLU B 59 14.150 5.836 -10.361 1.00 0.82 C ATOM 1919 O GLU B 59 14.748 6.167 -11.383 1.00 0.91 O ATOM 1920 CB GLU B 59 14.701 7.590 -8.617 1.00 0.83 C ATOM 1921 CG GLU B 59 15.302 8.751 -9.407 1.00 1.10 C ATOM 1922 CD GLU B 59 16.217 9.626 -8.561 1.00 1.18 C ATOM 1923 OE1 GLU B 59 15.648 10.435 -7.801 1.00 1.28 O ATOM 1924 OE2 GLU B 59 17.452 9.463 -8.690 1.00 1.40 O ATOM 0 H GLU B 59 12.937 6.386 -7.472 1.00 0.65 H new ATOM 0 HA GLU B 59 13.057 7.613 -10.037 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.312 7.958 -7.667 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.481 6.866 -8.383 1.00 0.83 H new ATOM 0 HG2 GLU B 59 15.864 8.357 -10.254 1.00 1.10 H new ATOM 0 HG3 GLU B 59 14.497 9.362 -9.816 1.00 1.10 H new ATOM 1931 N ALA B 60 13.987 4.565 -10.016 1.00 0.80 N ATOM 1932 CA ALA B 60 14.502 3.465 -10.835 1.00 0.88 C ATOM 1933 C ALA B 60 13.378 2.845 -11.685 1.00 0.91 C ATOM 1934 O ALA B 60 12.317 2.505 -11.154 1.00 0.89 O ATOM 1935 CB ALA B 60 15.139 2.442 -9.895 1.00 0.88 C ATOM 0 H ALA B 60 13.500 4.265 -9.171 1.00 0.80 H new ATOM 0 HA ALA B 60 15.253 3.828 -11.537 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.533 1.609 -10.477 1.00 0.88 H new ATOM 0 HB2 ALA B 60 15.951 2.913 -9.341 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.388 2.074 -9.196 1.00 0.88 H new ATOM 1941 N PRO B 61 13.659 2.592 -12.969 1.00 0.99 N ATOM 1942 CA PRO B 61 12.683 2.024 -13.924 1.00 1.03 C ATOM 1943 C PRO B 61 12.257 0.592 -13.577 1.00 1.03 C ATOM 1944 O PRO B 61 11.065 0.305 -13.500 1.00 1.01 O ATOM 1945 CB PRO B 61 13.386 2.095 -15.280 1.00 1.15 C ATOM 1946 CG PRO B 61 14.866 1.976 -14.924 1.00 1.19 C ATOM 1947 CD PRO B 61 14.973 2.771 -13.623 1.00 1.07 C ATOM 0 HA PRO B 61 11.747 2.583 -13.907 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.066 1.289 -15.940 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.171 3.032 -15.794 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.166 0.937 -14.788 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.503 2.392 -15.704 1.00 1.19 H new ATOM 0 HD2 PRO B 61 15.782 2.398 -12.996 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.179 3.824 -13.817 1.00 1.07 H new ATOM 1955 N PHE B 62 13.228 -0.232 -13.171 1.00 1.06 N ATOM 1956 CA PHE B 62 12.968 -1.623 -12.739 1.00 1.08 C ATOM 1957 C PHE B 62 12.035 -1.676 -11.525 1.00 0.98 C ATOM 1958 O PHE B 62 11.266 -2.617 -11.352 1.00 0.98 O ATOM 1959 CB PHE B 62 14.272 -2.363 -12.417 1.00 1.15 C ATOM 1960 CG PHE B 62 15.031 -1.764 -11.231 1.00 1.11 C ATOM 1961 CD1 PHE B 62 14.755 -2.193 -9.940 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.018 -0.813 -11.458 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.466 -1.674 -8.871 1.00 1.07 C ATOM 1964 CE2 PHE B 62 16.741 -0.306 -10.388 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.458 -0.727 -9.096 1.00 1.10 C ATOM 0 H PHE B 62 14.211 0.036 -13.130 1.00 1.06 H new ATOM 0 HA PHE B 62 12.477 -2.121 -13.575 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.046 -3.408 -12.204 1.00 1.15 H new ATOM 0 HB3 PHE B 62 14.916 -2.349 -13.296 1.00 1.15 H new ATOM 0 HD1 PHE B 62 13.986 -2.932 -9.769 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.221 -0.470 -12.462 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.250 -2.004 -7.866 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.525 0.417 -10.560 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.010 -0.317 -8.263 1.00 1.10 H new ATOM 1975 N LEU B 63 12.034 -0.599 -10.752 1.00 0.90 N ATOM 1976 CA LEU B 63 11.173 -0.495 -9.586 1.00 0.80 C ATOM 1977 C LEU B 63 9.723 -0.232 -10.012 1.00 0.83 C ATOM 1978 O LEU B 63 8.783 -0.597 -9.309 1.00 0.83 O ATOM 1979 CB LEU B 63 11.664 0.627 -8.685 1.00 0.71 C ATOM 1980 CG LEU B 63 11.396 0.420 -7.204 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.715 0.358 -6.448 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.494 1.525 -6.667 1.00 0.62 C ATOM 0 H LEU B 63 12.623 0.218 -10.914 1.00 0.90 H new ATOM 0 HA LEU B 63 11.207 -1.437 -9.038 1.00 0.80 H new ATOM 0 HB2 LEU B 63 12.737 0.748 -8.832 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.192 1.558 -8.998 1.00 0.71 H new ATOM 0 HG LEU B 63 10.875 -0.526 -7.059 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.519 0.209 -5.386 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.313 -0.471 -6.826 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.260 1.292 -6.589 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.312 1.362 -5.605 1.00 0.62 H new ATOM 0 HD22 LEU B 63 10.979 2.491 -6.808 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.545 1.513 -7.204 1.00 0.62 H new ATOM 1994 N LYS B 64 9.564 0.401 -11.175 1.00 0.87 N ATOM 1995 CA LYS B 64 8.243 0.716 -11.728 1.00 0.93 C ATOM 1996 C LYS B 64 7.629 -0.523 -12.401 1.00 0.97 C ATOM 1997 O LYS B 64 6.458 -0.535 -12.778 1.00 1.03 O ATOM 1998 CB LYS B 64 8.365 1.870 -12.731 1.00 1.02 C ATOM 1999 CG LYS B 64 7.031 2.432 -13.207 1.00 1.12 C ATOM 2000 CD LYS B 64 7.210 3.411 -14.359 1.00 1.30 C ATOM 2001 CE LYS B 64 7.713 2.719 -15.617 1.00 1.47 C ATOM 2002 NZ LYS B 64 7.776 3.648 -16.779 1.00 1.71 N ATOM 0 H LYS B 64 10.342 0.709 -11.759 1.00 0.87 H new ATOM 0 HA LYS B 64 7.583 1.021 -10.916 1.00 0.93 H new ATOM 0 HB2 LYS B 64 8.942 2.674 -12.274 1.00 1.02 H new ATOM 0 HB3 LYS B 64 8.930 1.525 -13.597 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.383 1.614 -13.522 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.531 2.933 -12.378 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.260 3.902 -14.570 1.00 1.30 H new ATOM 0 HD3 LYS B 64 7.914 4.191 -14.067 1.00 1.30 H new ATOM 0 HE2 LYS B 64 8.704 2.304 -15.431 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.057 1.882 -15.857 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.124 3.136 -17.615 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 6.826 4.025 -16.974 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 8.422 4.433 -16.561 1.00 1.71 H new ATOM 2016 N LYS B 65 8.444 -1.560 -12.546 1.00 0.98 N ATOM 2017 CA LYS B 65 8.018 -2.834 -13.151 1.00 1.04 C ATOM 2018 C LYS B 65 7.223 -3.719 -12.189 1.00 1.02 C ATOM 2019 O LYS B 65 6.049 -3.997 -12.424 1.00 1.07 O ATOM 2020 CB LYS B 65 9.241 -3.597 -13.644 1.00 1.07 C ATOM 2021 CG LYS B 65 9.949 -2.850 -14.775 1.00 1.14 C ATOM 2022 CD LYS B 65 11.104 -3.680 -15.339 1.00 1.20 C ATOM 2023 CE LYS B 65 10.631 -4.970 -16.025 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.779 -4.682 -17.188 1.00 1.36 N ATOM 0 H LYS B 65 9.420 -1.551 -12.251 1.00 0.98 H new ATOM 0 HA LYS B 65 7.355 -2.586 -13.980 1.00 1.04 H new ATOM 0 HB2 LYS B 65 9.934 -3.749 -12.817 1.00 1.07 H new ATOM 0 HB3 LYS B 65 8.939 -4.585 -13.992 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.237 -2.624 -15.569 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.327 -1.897 -14.406 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.663 -3.077 -16.055 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.791 -3.934 -14.532 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.496 -5.553 -16.342 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.079 -5.581 -15.311 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.617 -5.558 -17.725 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.867 -4.300 -16.864 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.249 -3.984 -17.799 1.00 1.36 H new ATOM 2038 N VAL B 66 7.836 -4.000 -11.038 1.00 0.96 N ATOM 2039 CA VAL B 66 7.208 -4.803 -9.999 1.00 0.95 C ATOM 2040 C VAL B 66 5.919 -4.146 -9.482 1.00 0.95 C ATOM 2041 O VAL B 66 5.017 -4.839 -9.011 1.00 0.97 O ATOM 2042 CB VAL B 66 8.176 -5.055 -8.821 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.433 -5.757 -9.312 1.00 0.93 C ATOM 2044 CG2 VAL B 66 8.538 -3.755 -8.115 1.00 0.91 C ATOM 0 H VAL B 66 8.775 -3.678 -10.805 1.00 0.96 H new ATOM 0 HA VAL B 66 6.951 -5.761 -10.451 1.00 0.95 H new ATOM 0 HB VAL B 66 7.669 -5.698 -8.101 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.106 -5.928 -8.472 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.164 -6.713 -9.762 1.00 0.93 H new ATOM 0 HG13 VAL B 66 9.931 -5.134 -10.055 1.00 0.93 H new ATOM 0 HG21 VAL B 66 9.220 -3.966 -7.291 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.020 -3.079 -8.821 1.00 0.91 H new ATOM 0 HG23 VAL B 66 7.633 -3.288 -7.726 1.00 0.91 H new ATOM 2054 N ILE B 67 5.827 -2.808 -9.573 1.00 0.95 N ATOM 2055 CA ILE B 67 4.623 -2.104 -9.130 1.00 0.97 C ATOM 2056 C ILE B 67 3.531 -2.214 -10.190 1.00 1.02 C ATOM 2057 O ILE B 67 2.347 -2.087 -9.885 1.00 1.08 O ATOM 2058 CB ILE B 67 4.866 -0.618 -8.772 1.00 0.99 C ATOM 2059 CG1 ILE B 67 5.163 0.209 -10.023 1.00 1.00 C ATOM 2060 CG2 ILE B 67 5.996 -0.497 -7.759 1.00 0.98 C ATOM 2061 CD1 ILE B 67 5.239 1.700 -9.765 1.00 1.07 C ATOM 0 H ILE B 67 6.562 -2.205 -9.944 1.00 0.95 H new ATOM 0 HA ILE B 67 4.306 -2.593 -8.209 1.00 0.97 H new ATOM 0 HB ILE B 67 3.955 -0.221 -8.323 1.00 0.99 H new ATOM 0 HG12 ILE B 67 6.108 -0.125 -10.452 1.00 1.00 H new ATOM 0 HG13 ILE B 67 4.389 0.017 -10.767 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.156 0.554 -7.516 1.00 0.98 H new ATOM 0 HG22 ILE B 67 5.732 -1.043 -6.853 1.00 0.98 H new ATOM 0 HG23 ILE B 67 6.910 -0.915 -8.181 1.00 0.98 H new ATOM 0 HD11 ILE B 67 5.453 2.220 -10.699 1.00 1.07 H new ATOM 0 HD12 ILE B 67 4.287 2.049 -9.365 1.00 1.07 H new ATOM 0 HD13 ILE B 67 6.032 1.905 -9.046 1.00 1.07 H new ATOM 2073 N GLN B 68 3.934 -2.424 -11.444 1.00 1.04 N ATOM 2074 CA GLN B 68 2.959 -2.625 -12.530 1.00 1.12 C ATOM 2075 C GLN B 68 2.317 -4.017 -12.426 1.00 1.11 C ATOM 2076 O GLN B 68 1.097 -4.152 -12.519 1.00 1.15 O ATOM 2077 CB GLN B 68 3.653 -2.471 -13.878 1.00 1.19 C ATOM 2078 CG GLN B 68 2.644 -2.551 -15.014 1.00 1.30 C ATOM 2079 CD GLN B 68 3.349 -2.426 -16.359 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.500 -2.786 -16.554 1.00 1.39 O ATOM 2081 NE2 GLN B 68 2.607 -1.926 -17.318 1.00 1.52 N ATOM 0 H GLN B 68 4.911 -2.460 -11.735 1.00 1.04 H new ATOM 0 HA GLN B 68 2.174 -1.874 -12.441 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.176 -1.516 -13.916 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.405 -3.251 -13.997 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.105 -3.497 -14.965 1.00 1.30 H new ATOM 0 HG3 GLN B 68 1.904 -1.757 -14.909 1.00 1.30 H new ATOM 0 HE21 GLN B 68 1.649 -1.635 -17.123 1.00 1.52 H new ATOM 0 HE22 GLN B 68 2.988 -1.829 -18.259 1.00 1.52 H new ATOM 2090 N LYS B 69 3.148 -5.025 -12.148 1.00 1.10 N ATOM 2091 CA LYS B 69 2.691 -6.410 -12.022 1.00 1.13 C ATOM 2092 C LYS B 69 1.636 -6.591 -10.924 1.00 1.15 C ATOM 2093 O LYS B 69 0.718 -7.397 -11.078 1.00 1.23 O ATOM 2094 CB LYS B 69 3.875 -7.333 -11.738 1.00 1.11 C ATOM 2095 CG LYS B 69 4.750 -7.607 -12.951 1.00 1.16 C ATOM 2096 CD LYS B 69 5.824 -8.637 -12.631 1.00 1.24 C ATOM 2097 CE LYS B 69 6.597 -9.046 -13.875 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.607 -10.099 -13.577 1.00 1.61 N ATOM 0 H LYS B 69 4.151 -4.905 -12.005 1.00 1.10 H new ATOM 0 HA LYS B 69 2.226 -6.671 -12.973 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.488 -6.890 -10.953 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.499 -8.281 -11.352 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.133 -7.965 -13.775 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.218 -6.680 -13.282 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.513 -8.227 -11.892 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.363 -9.517 -12.183 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.902 -9.412 -14.631 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.095 -8.173 -14.297 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.113 -10.351 -14.450 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.285 -9.741 -12.875 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.129 -10.941 -13.198 1.00 1.61 H new ATOM 2112 N ILE B 70 1.761 -5.849 -9.821 1.00 1.14 N ATOM 2113 CA ILE B 70 0.800 -5.966 -8.719 1.00 1.20 C ATOM 2114 C ILE B 70 -0.534 -5.301 -9.061 1.00 1.31 C ATOM 2115 O ILE B 70 -1.554 -5.586 -8.435 1.00 1.43 O ATOM 2116 CB ILE B 70 1.340 -5.375 -7.395 1.00 1.18 C ATOM 2117 CG1 ILE B 70 1.706 -3.899 -7.564 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.537 -6.176 -6.907 1.00 1.29 C ATOM 2119 CD1 ILE B 70 2.175 -3.233 -6.288 1.00 1.30 C ATOM 0 H ILE B 70 2.506 -5.170 -9.667 1.00 1.14 H new ATOM 0 HA ILE B 70 0.643 -7.035 -8.577 1.00 1.20 H new ATOM 0 HB ILE B 70 0.552 -5.440 -6.644 1.00 1.18 H new ATOM 0 HG12 ILE B 70 2.490 -3.813 -8.316 1.00 1.17 H new ATOM 0 HG13 ILE B 70 0.838 -3.361 -7.945 1.00 1.17 H new ATOM 0 HG21 ILE B 70 2.906 -5.748 -5.975 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.238 -7.211 -6.738 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.326 -6.144 -7.658 1.00 1.29 H new ATOM 0 HD11 ILE B 70 2.415 -2.189 -6.490 1.00 1.30 H new ATOM 0 HD12 ILE B 70 1.385 -3.285 -5.539 1.00 1.30 H new ATOM 0 HD13 ILE B 70 3.063 -3.744 -5.916 1.00 1.30 H new