USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 641 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 73 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-6.2!) USER MOD Set 1.2: B 107 THR OG1 : rot 180:sc=-0.00302 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.769 X(o=-0.77,f=-1.1) USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.0732 X(o=-3.8,f=-3.8) USER MOD Set 3.2: A 56 GLN : amide:sc= -3.74! C(o=-3.8!,f=-5.3!) USER MOD Set 4.1: A 20 THR OG1 : rot 133:sc= 0.58 USER MOD Set 4.2: B 108 LYS NZ :NH3+ 170:sc= 1.23 (180deg=0) USER MOD Set 5.1: A 17 TYR OH : rot -107:sc= 0.146 USER MOD Set 5.2: A 83 SER OG : rot -96:sc= -0.375! USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.0971 X(o=-0.097,f=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.765 X(o=-0.76,f=-1.2) USER MOD Single : A 39 MET CE :methyl 163:sc= -0.0564 (180deg=-0.0678) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -4.61! C(o=-4.6!,f=-7.2!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0387) USER MOD Single : A 85 ASN : amide:sc= -0.677 K(o=-0.68,f=-1.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -153:sc= -1.41! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1 USER MOD ----------------------------------------------------------------- ATOM 28 N MET A 4 -3.206 16.179 -3.821 1.00 1.28 N ATOM 29 CA MET A 4 -3.195 16.154 -5.275 1.00 1.37 C ATOM 30 C MET A 4 -3.947 14.941 -5.811 1.00 1.38 C ATOM 31 O MET A 4 -4.926 15.084 -6.541 1.00 1.57 O ATOM 32 CB MET A 4 -1.751 16.153 -5.797 1.00 1.36 C ATOM 33 CG MET A 4 -1.638 15.903 -7.294 1.00 1.51 C ATOM 34 SD MET A 4 -2.644 17.035 -8.271 1.00 1.75 S ATOM 35 CE MET A 4 -2.532 16.252 -9.878 1.00 1.95 C ATOM 0 HA MET A 4 -3.701 17.052 -5.630 1.00 1.37 H new ATOM 0 HB2 MET A 4 -1.289 17.112 -5.563 1.00 1.36 H new ATOM 0 HB3 MET A 4 -1.184 15.388 -5.267 1.00 1.36 H new ATOM 0 HG2 MET A 4 -0.595 15.999 -7.596 1.00 1.51 H new ATOM 0 HG3 MET A 4 -1.939 14.878 -7.510 1.00 1.51 H new ATOM 0 HE1 MET A 4 -3.104 16.829 -10.605 1.00 1.95 H new ATOM 0 HE2 MET A 4 -1.488 16.208 -10.189 1.00 1.95 H new ATOM 0 HE3 MET A 4 -2.936 15.241 -9.819 1.00 1.95 H new ATOM 45 N ARG A 5 -3.500 13.753 -5.434 1.00 1.21 N ATOM 46 CA ARG A 5 -4.122 12.520 -5.902 1.00 1.23 C ATOM 47 C ARG A 5 -5.370 12.190 -5.099 1.00 1.21 C ATOM 48 O ARG A 5 -5.333 12.158 -3.869 1.00 1.14 O ATOM 49 CB ARG A 5 -3.139 11.353 -5.818 1.00 1.15 C ATOM 50 CG ARG A 5 -2.184 11.268 -6.996 1.00 1.23 C ATOM 51 CD ARG A 5 -0.883 12.003 -6.719 1.00 1.22 C ATOM 52 NE ARG A 5 0.051 11.896 -7.837 1.00 1.29 N ATOM 53 CZ ARG A 5 1.327 12.281 -7.789 1.00 1.34 C ATOM 54 NH1 ARG A 5 1.821 12.827 -6.684 1.00 1.32 N ATOM 55 NH2 ARG A 5 2.107 12.129 -8.849 1.00 1.48 N ATOM 0 H ARG A 5 -2.709 13.615 -4.805 1.00 1.21 H new ATOM 0 HA ARG A 5 -4.408 12.675 -6.942 1.00 1.23 H new ATOM 0 HB2 ARG A 5 -2.560 11.444 -4.899 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -3.701 10.421 -5.750 1.00 1.15 H new ATOM 0 HG2 ARG A 5 -1.971 10.222 -7.217 1.00 1.23 H new ATOM 0 HG3 ARG A 5 -2.659 11.691 -7.881 1.00 1.23 H new ATOM 0 HD2 ARG A 5 -1.095 13.054 -6.522 1.00 1.22 H new ATOM 0 HD3 ARG A 5 -0.421 11.597 -5.819 1.00 1.22 H new ATOM 0 HE ARG A 5 -0.295 11.501 -8.711 1.00 1.29 H new ATOM 0 HH11 ARG A 5 1.224 12.954 -5.867 1.00 1.32 H new ATOM 0 HH12 ARG A 5 2.798 13.120 -6.652 1.00 1.32 H new ATOM 0 HH21 ARG A 5 1.732 11.717 -9.703 1.00 1.48 H new ATOM 0 HH22 ARG A 5 3.083 12.424 -8.811 1.00 1.48 H new ATOM 69 N PRO A 6 -6.497 11.957 -5.786 1.00 1.28 N ATOM 70 CA PRO A 6 -7.759 11.614 -5.134 1.00 1.28 C ATOM 71 C PRO A 6 -7.725 10.201 -4.557 1.00 1.20 C ATOM 72 O PRO A 6 -7.466 9.234 -5.282 1.00 1.19 O ATOM 73 CB PRO A 6 -8.776 11.718 -6.271 1.00 1.41 C ATOM 74 CG PRO A 6 -8.000 11.428 -7.491 1.00 1.43 C ATOM 75 CD PRO A 6 -6.636 12.009 -7.254 1.00 1.37 C ATOM 0 HA PRO A 6 -7.989 12.263 -4.289 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -9.591 11.006 -6.141 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -9.224 12.711 -6.313 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -7.942 10.355 -7.672 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -8.468 11.874 -8.368 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -5.859 11.429 -7.753 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -6.562 13.030 -7.629 1.00 1.37 H new ATOM 83 N PRO A 7 -7.970 10.059 -3.246 1.00 1.16 N ATOM 84 CA PRO A 7 -7.955 8.758 -2.584 1.00 1.08 C ATOM 85 C PRO A 7 -8.999 7.802 -3.142 1.00 1.12 C ATOM 86 O PRO A 7 -10.038 8.215 -3.662 1.00 1.23 O ATOM 87 CB PRO A 7 -8.274 9.074 -1.122 1.00 1.05 C ATOM 88 CG PRO A 7 -8.015 10.529 -0.962 1.00 1.12 C ATOM 89 CD PRO A 7 -8.275 11.150 -2.305 1.00 1.20 C ATOM 0 HA PRO A 7 -6.996 8.260 -2.728 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -9.310 8.832 -0.886 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -7.648 8.488 -0.449 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -8.666 10.959 -0.201 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -6.989 10.709 -0.642 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -9.307 11.486 -2.400 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -7.640 12.019 -2.476 1.00 1.20 H new ATOM 97 N ILE A 8 -8.699 6.524 -3.032 1.00 1.04 N ATOM 98 CA ILE A 8 -9.576 5.467 -3.483 1.00 1.07 C ATOM 99 C ILE A 8 -10.468 5.032 -2.327 1.00 1.05 C ATOM 100 O ILE A 8 -10.057 4.228 -1.495 1.00 0.97 O ATOM 101 CB ILE A 8 -8.765 4.256 -3.985 1.00 1.04 C ATOM 102 CG1 ILE A 8 -7.754 4.680 -5.054 1.00 1.08 C ATOM 103 CG2 ILE A 8 -9.686 3.176 -4.518 1.00 1.09 C ATOM 104 CD1 ILE A 8 -8.355 4.921 -6.422 1.00 1.19 C ATOM 0 H ILE A 8 -7.828 6.188 -2.621 1.00 1.04 H new ATOM 0 HA ILE A 8 -10.182 5.843 -4.307 1.00 1.07 H new ATOM 0 HB ILE A 8 -8.212 3.847 -3.139 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -7.255 5.591 -4.724 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -6.988 3.910 -5.138 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -9.092 2.331 -4.867 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -10.356 2.845 -3.725 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -10.272 3.574 -5.346 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -7.570 5.217 -7.117 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -8.829 4.006 -6.778 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -9.100 5.714 -6.357 1.00 1.19 H new ATOM 116 N ILE A 9 -11.656 5.617 -2.240 1.00 1.12 N ATOM 117 CA ILE A 9 -12.595 5.291 -1.176 1.00 1.12 C ATOM 118 C ILE A 9 -13.174 3.888 -1.376 1.00 1.13 C ATOM 119 O ILE A 9 -14.130 3.689 -2.130 1.00 1.21 O ATOM 120 CB ILE A 9 -13.754 6.320 -1.092 1.00 1.23 C ATOM 121 CG1 ILE A 9 -13.295 7.692 -0.584 1.00 1.23 C ATOM 122 CG2 ILE A 9 -14.853 5.806 -0.176 1.00 1.26 C ATOM 123 CD1 ILE A 9 -12.027 8.244 -1.193 1.00 1.20 C ATOM 0 H ILE A 9 -11.992 6.322 -2.896 1.00 1.12 H new ATOM 0 HA ILE A 9 -12.038 5.325 -0.240 1.00 1.12 H new ATOM 0 HB ILE A 9 -14.127 6.443 -2.109 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -14.098 8.408 -0.760 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -13.156 7.628 0.495 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -15.659 6.539 -0.127 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -15.241 4.865 -0.566 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -14.448 5.645 0.823 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -11.806 9.217 -0.754 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -11.201 7.561 -0.995 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -12.158 8.353 -2.270 1.00 1.20 H new ATOM 135 N ILE A 10 -12.560 2.918 -0.721 1.00 1.03 N ATOM 136 CA ILE A 10 -12.987 1.539 -0.795 1.00 1.03 C ATOM 137 C ILE A 10 -13.953 1.220 0.319 1.00 1.04 C ATOM 138 O ILE A 10 -13.662 1.431 1.495 1.00 0.99 O ATOM 139 CB ILE A 10 -11.785 0.592 -0.696 1.00 0.93 C ATOM 140 CG1 ILE A 10 -10.736 0.989 -1.723 1.00 0.93 C ATOM 141 CG2 ILE A 10 -12.219 -0.846 -0.908 1.00 0.94 C ATOM 142 CD1 ILE A 10 -9.375 0.384 -1.476 1.00 0.84 C ATOM 0 H ILE A 10 -11.749 3.069 -0.122 1.00 1.03 H new ATOM 0 HA ILE A 10 -13.481 1.398 -1.756 1.00 1.03 H new ATOM 0 HB ILE A 10 -11.354 0.671 0.302 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -11.081 0.691 -2.713 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -10.643 2.075 -1.731 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -11.352 -1.502 -0.834 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -12.949 -1.122 -0.147 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -12.668 -0.949 -1.896 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -8.684 0.715 -2.251 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -9.007 0.703 -0.501 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -9.451 -0.703 -1.498 1.00 0.84 H new ATOM 154 N HIS A 11 -15.103 0.718 -0.061 1.00 1.13 N ATOM 155 CA HIS A 11 -16.125 0.354 0.891 1.00 1.17 C ATOM 156 C HIS A 11 -15.844 -1.038 1.438 1.00 1.10 C ATOM 157 O HIS A 11 -15.245 -1.870 0.760 1.00 1.08 O ATOM 158 CB HIS A 11 -17.489 0.399 0.212 1.00 1.31 C ATOM 159 CG HIS A 11 -17.925 1.773 -0.191 1.00 1.40 C ATOM 160 ND1 HIS A 11 -19.107 1.984 -0.855 1.00 1.57 N ATOM 161 CD2 HIS A 11 -17.295 2.954 -0.022 1.00 1.41 C ATOM 162 CE1 HIS A 11 -19.166 3.285 -1.080 1.00 1.64 C ATOM 163 NE2 HIS A 11 -18.090 3.916 -0.594 1.00 1.54 N ATOM 0 H HIS A 11 -15.356 0.551 -1.035 1.00 1.13 H new ATOM 0 HA HIS A 11 -16.123 1.059 1.722 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -17.464 -0.237 -0.673 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -18.233 -0.024 0.887 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -16.346 3.112 0.469 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -19.980 3.777 -1.592 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -17.898 4.917 -0.640 1.00 1.54 H new ATOM 171 N ARG A 12 -16.265 -1.280 2.666 1.00 1.10 N ATOM 172 CA ARG A 12 -16.058 -2.556 3.312 1.00 1.06 C ATOM 173 C ARG A 12 -16.840 -3.671 2.619 1.00 1.10 C ATOM 174 O ARG A 12 -17.833 -3.423 1.928 1.00 1.17 O ATOM 175 CB ARG A 12 -16.478 -2.438 4.771 1.00 1.08 C ATOM 176 CG ARG A 12 -17.927 -2.033 4.951 1.00 1.15 C ATOM 177 CD ARG A 12 -18.341 -2.207 6.390 1.00 1.20 C ATOM 178 NE ARG A 12 -19.716 -1.785 6.638 1.00 1.31 N ATOM 179 CZ ARG A 12 -20.264 -1.729 7.852 1.00 1.44 C ATOM 180 NH1 ARG A 12 -19.548 -2.043 8.927 1.00 1.51 N ATOM 181 NH2 ARG A 12 -21.527 -1.359 7.991 1.00 1.56 N ATOM 0 H ARG A 12 -16.759 -0.597 3.240 1.00 1.10 H new ATOM 0 HA ARG A 12 -15.002 -2.818 3.247 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -16.312 -3.394 5.267 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -15.840 -1.706 5.267 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -18.062 -0.994 4.649 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -18.564 -2.638 4.306 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -18.231 -3.254 6.671 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -17.669 -1.634 7.029 1.00 1.20 H new ATOM 0 HE ARG A 12 -20.290 -1.518 5.838 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -18.574 -2.329 8.826 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -19.973 -1.998 9.853 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -22.081 -1.117 7.169 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -21.947 -1.316 8.920 1.00 1.56 H new ATOM 256 N TYR A 17 -11.190 -5.999 1.634 1.00 0.70 N ATOM 257 CA TYR A 17 -11.564 -4.842 0.826 1.00 0.74 C ATOM 258 C TYR A 17 -11.495 -5.196 -0.648 1.00 0.83 C ATOM 259 O TYR A 17 -11.847 -4.394 -1.514 1.00 0.92 O ATOM 260 CB TYR A 17 -10.663 -3.642 1.117 1.00 0.70 C ATOM 261 CG TYR A 17 -10.837 -3.083 2.505 1.00 0.66 C ATOM 262 CD1 TYR A 17 -11.814 -2.134 2.785 1.00 0.73 C ATOM 263 CD2 TYR A 17 -10.030 -3.518 3.537 1.00 0.60 C ATOM 264 CE1 TYR A 17 -11.973 -1.635 4.065 1.00 0.74 C ATOM 265 CE2 TYR A 17 -10.174 -3.031 4.814 1.00 0.61 C ATOM 266 CZ TYR A 17 -11.151 -2.088 5.081 1.00 0.69 C ATOM 267 OH TYR A 17 -11.305 -1.595 6.360 1.00 0.73 O ATOM 0 HA TYR A 17 -12.586 -4.566 1.087 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -9.623 -3.937 0.980 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -10.870 -2.857 0.389 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -12.457 -1.782 1.992 1.00 0.73 H new ATOM 0 HD2 TYR A 17 -9.269 -4.257 3.336 1.00 0.60 H new ATOM 0 HE1 TYR A 17 -12.734 -0.897 4.270 1.00 0.74 H new ATOM 0 HE2 TYR A 17 -9.528 -3.382 5.605 1.00 0.61 H new ATOM 0 HH TYR A 17 -10.560 -0.994 6.571 1.00 0.73 H new ATOM 277 N GLY A 18 -11.019 -6.398 -0.931 1.00 0.83 N ATOM 278 CA GLY A 18 -10.938 -6.842 -2.297 1.00 0.95 C ATOM 279 C GLY A 18 -9.562 -6.696 -2.896 1.00 0.92 C ATOM 280 O GLY A 18 -9.400 -6.836 -4.103 1.00 1.03 O ATOM 0 H GLY A 18 -10.689 -7.070 -0.238 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -11.239 -7.888 -2.349 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -11.649 -6.275 -2.898 1.00 0.95 H new ATOM 284 N PHE A 19 -8.570 -6.401 -2.081 1.00 0.79 N ATOM 285 CA PHE A 19 -7.222 -6.261 -2.606 1.00 0.79 C ATOM 286 C PHE A 19 -6.155 -6.826 -1.689 1.00 0.72 C ATOM 287 O PHE A 19 -6.388 -7.157 -0.521 1.00 0.65 O ATOM 288 CB PHE A 19 -6.889 -4.807 -2.956 1.00 0.80 C ATOM 289 CG PHE A 19 -6.629 -3.897 -1.784 1.00 0.71 C ATOM 290 CD1 PHE A 19 -7.675 -3.288 -1.105 1.00 0.70 C ATOM 291 CD2 PHE A 19 -5.329 -3.631 -1.378 1.00 0.67 C ATOM 292 CE1 PHE A 19 -7.425 -2.431 -0.047 1.00 0.64 C ATOM 293 CE2 PHE A 19 -5.075 -2.781 -0.321 1.00 0.59 C ATOM 294 CZ PHE A 19 -6.125 -2.180 0.345 1.00 0.58 C ATOM 0 H PHE A 19 -8.664 -6.256 -1.076 1.00 0.79 H new ATOM 0 HA PHE A 19 -7.214 -6.855 -3.520 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -6.010 -4.800 -3.600 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -7.714 -4.394 -3.537 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -8.694 -3.485 -1.405 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -4.504 -4.096 -1.897 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -8.246 -1.959 0.472 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -4.058 -2.586 -0.015 1.00 0.59 H new ATOM 0 HZ PHE A 19 -5.929 -1.514 1.172 1.00 0.58 H new ATOM 304 N THR A 20 -4.976 -6.921 -2.263 1.00 0.76 N ATOM 305 CA THR A 20 -3.805 -7.434 -1.576 1.00 0.74 C ATOM 306 C THR A 20 -2.769 -6.341 -1.406 1.00 0.71 C ATOM 307 O THR A 20 -2.315 -5.749 -2.385 1.00 0.80 O ATOM 308 CB THR A 20 -3.170 -8.602 -2.353 1.00 0.87 C ATOM 309 OG1 THR A 20 -4.115 -9.677 -2.459 1.00 0.92 O ATOM 310 CG2 THR A 20 -1.885 -9.096 -1.684 1.00 0.89 C ATOM 0 H THR A 20 -4.799 -6.643 -3.228 1.00 0.76 H new ATOM 0 HA THR A 20 -4.131 -7.791 -0.599 1.00 0.74 H new ATOM 0 HB THR A 20 -2.905 -8.243 -3.347 1.00 0.87 H new ATOM 0 HG1 THR A 20 -4.140 -10.001 -3.384 1.00 0.92 H new ATOM 0 HG21 THR A 20 -1.467 -9.920 -2.262 1.00 0.89 H new ATOM 0 HG22 THR A 20 -1.162 -8.282 -1.639 1.00 0.89 H new ATOM 0 HG23 THR A 20 -2.109 -9.439 -0.674 1.00 0.89 H new ATOM 318 N LEU A 21 -2.405 -6.071 -0.172 1.00 0.61 N ATOM 319 CA LEU A 21 -1.408 -5.066 0.110 1.00 0.60 C ATOM 320 C LEU A 21 -0.064 -5.755 0.235 1.00 0.67 C ATOM 321 O LEU A 21 0.083 -6.712 0.998 1.00 0.65 O ATOM 322 CB LEU A 21 -1.755 -4.309 1.390 1.00 0.47 C ATOM 323 CG LEU A 21 -0.734 -3.260 1.825 1.00 0.47 C ATOM 324 CD1 LEU A 21 -0.609 -2.161 0.781 1.00 0.52 C ATOM 325 CD2 LEU A 21 -1.125 -2.675 3.167 1.00 0.39 C ATOM 0 H LEU A 21 -2.786 -6.535 0.653 1.00 0.61 H new ATOM 0 HA LEU A 21 -1.373 -4.336 -0.698 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -2.719 -3.819 1.253 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -1.877 -5.031 2.198 1.00 0.47 H new ATOM 0 HG LEU A 21 0.237 -3.745 1.923 1.00 0.47 H new ATOM 0 HD11 LEU A 21 0.124 -1.425 1.113 1.00 0.52 H new ATOM 0 HD12 LEU A 21 -0.286 -2.594 -0.166 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -1.575 -1.675 0.647 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -0.390 -1.928 3.467 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -2.106 -2.207 3.088 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -1.161 -3.469 3.913 1.00 0.39 H new ATOM 337 N ARG A 22 0.904 -5.306 -0.537 1.00 0.79 N ATOM 338 CA ARG A 22 2.216 -5.914 -0.508 1.00 0.89 C ATOM 339 C ARG A 22 3.282 -4.925 -0.075 1.00 0.90 C ATOM 340 O ARG A 22 3.324 -3.784 -0.535 1.00 0.94 O ATOM 341 CB ARG A 22 2.562 -6.497 -1.876 1.00 1.03 C ATOM 342 CG ARG A 22 1.956 -7.861 -2.128 1.00 1.03 C ATOM 343 CD ARG A 22 2.909 -8.753 -2.908 1.00 1.21 C ATOM 344 NE ARG A 22 4.323 -8.517 -2.584 1.00 1.31 N ATOM 345 CZ ARG A 22 5.342 -9.070 -3.249 1.00 1.47 C ATOM 346 NH1 ARG A 22 5.116 -9.956 -4.213 1.00 1.60 N ATOM 347 NH2 ARG A 22 6.593 -8.749 -2.944 1.00 1.66 N ATOM 0 H ARG A 22 0.807 -4.527 -1.188 1.00 0.79 H new ATOM 0 HA ARG A 22 2.190 -6.719 0.227 1.00 0.89 H new ATOM 0 HB2 ARG A 22 2.222 -5.810 -2.650 1.00 1.03 H new ATOM 0 HB3 ARG A 22 3.646 -6.568 -1.967 1.00 1.03 H new ATOM 0 HG2 ARG A 22 1.709 -8.333 -1.177 1.00 1.03 H new ATOM 0 HG3 ARG A 22 1.023 -7.750 -2.681 1.00 1.03 H new ATOM 0 HD2 ARG A 22 2.666 -9.796 -2.706 1.00 1.21 H new ATOM 0 HD3 ARG A 22 2.756 -8.591 -3.975 1.00 1.21 H new ATOM 0 HE ARG A 22 4.539 -7.894 -1.806 1.00 1.31 H new ATOM 0 HH11 ARG A 22 4.159 -10.219 -4.450 1.00 1.60 H new ATOM 0 HH12 ARG A 22 5.899 -10.373 -4.716 1.00 1.60 H new ATOM 0 HH21 ARG A 22 6.780 -8.078 -2.199 1.00 1.66 H new ATOM 0 HH22 ARG A 22 7.367 -9.174 -3.454 1.00 1.66 H new ATOM 361 N ALA A 23 4.130 -5.385 0.827 1.00 0.90 N ATOM 362 CA ALA A 23 5.221 -4.592 1.343 1.00 0.92 C ATOM 363 C ALA A 23 6.503 -4.984 0.630 1.00 1.06 C ATOM 364 O ALA A 23 7.140 -5.984 0.980 1.00 1.07 O ATOM 365 CB ALA A 23 5.357 -4.810 2.838 1.00 0.90 C ATOM 0 H ALA A 23 4.077 -6.324 1.221 1.00 0.90 H new ATOM 0 HA ALA A 23 5.023 -3.535 1.167 1.00 0.92 H new ATOM 0 HB1 ALA A 23 6.182 -4.209 3.220 1.00 0.90 H new ATOM 0 HB2 ALA A 23 4.433 -4.515 3.334 1.00 0.90 H new ATOM 0 HB3 ALA A 23 5.554 -5.864 3.036 1.00 0.90 H new ATOM 371 N ILE A 24 6.852 -4.213 -0.385 1.00 1.19 N ATOM 372 CA ILE A 24 8.045 -4.478 -1.172 1.00 1.33 C ATOM 373 C ILE A 24 9.251 -3.737 -0.606 1.00 1.38 C ATOM 374 O ILE A 24 9.163 -2.555 -0.258 1.00 1.29 O ATOM 375 CB ILE A 24 7.844 -4.094 -2.655 1.00 1.38 C ATOM 376 CG1 ILE A 24 7.237 -2.689 -2.783 1.00 1.29 C ATOM 377 CG2 ILE A 24 6.953 -5.119 -3.345 1.00 1.42 C ATOM 378 CD1 ILE A 24 7.405 -2.079 -4.157 1.00 1.35 C ATOM 0 H ILE A 24 6.323 -3.394 -0.685 1.00 1.19 H new ATOM 0 HA ILE A 24 8.232 -5.550 -1.117 1.00 1.33 H new ATOM 0 HB ILE A 24 8.820 -4.086 -3.141 1.00 1.38 H new ATOM 0 HG12 ILE A 24 6.175 -2.738 -2.544 1.00 1.29 H new ATOM 0 HG13 ILE A 24 7.700 -2.034 -2.045 1.00 1.29 H new ATOM 0 HG21 ILE A 24 6.818 -4.839 -4.390 1.00 1.42 H new ATOM 0 HG22 ILE A 24 7.420 -6.102 -3.291 1.00 1.42 H new ATOM 0 HG23 ILE A 24 5.983 -5.150 -2.849 1.00 1.42 H new ATOM 0 HD11 ILE A 24 6.952 -1.088 -4.173 1.00 1.35 H new ATOM 0 HD12 ILE A 24 8.466 -1.997 -4.391 1.00 1.35 H new ATOM 0 HD13 ILE A 24 6.918 -2.712 -4.898 1.00 1.35 H new ATOM 561 N VAL A 36 10.802 0.515 2.111 1.00 1.22 N ATOM 562 CA VAL A 36 9.582 -0.268 2.189 1.00 1.15 C ATOM 563 C VAL A 36 8.411 0.517 1.622 1.00 1.08 C ATOM 564 O VAL A 36 8.034 1.570 2.142 1.00 1.07 O ATOM 565 CB VAL A 36 9.261 -0.732 3.633 1.00 1.11 C ATOM 566 CG1 VAL A 36 9.331 0.424 4.621 1.00 1.09 C ATOM 567 CG2 VAL A 36 7.895 -1.410 3.692 1.00 1.04 C ATOM 0 HA VAL A 36 9.745 -1.165 1.591 1.00 1.15 H new ATOM 0 HB VAL A 36 10.020 -1.459 3.921 1.00 1.11 H new ATOM 0 HG11 VAL A 36 9.100 0.061 5.623 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.334 0.850 4.612 1.00 1.09 H new ATOM 0 HG13 VAL A 36 8.609 1.189 4.337 1.00 1.09 H new ATOM 0 HG21 VAL A 36 7.690 -1.728 4.714 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.126 -0.708 3.369 1.00 1.04 H new ATOM 0 HG23 VAL A 36 7.892 -2.279 3.035 1.00 1.04 H new ATOM 577 N HIS A 37 7.861 0.020 0.533 1.00 1.06 N ATOM 578 CA HIS A 37 6.729 0.673 -0.084 1.00 1.01 C ATOM 579 C HIS A 37 5.481 -0.155 0.102 1.00 0.93 C ATOM 580 O HIS A 37 5.520 -1.388 0.084 1.00 0.97 O ATOM 581 CB HIS A 37 6.962 0.933 -1.570 1.00 1.10 C ATOM 582 CG HIS A 37 7.857 2.106 -1.849 1.00 1.18 C ATOM 583 ND1 HIS A 37 7.423 3.400 -1.661 1.00 1.25 N ATOM 584 CD2 HIS A 37 9.136 2.131 -2.297 1.00 1.26 C ATOM 585 CE1 HIS A 37 8.441 4.176 -1.997 1.00 1.33 C ATOM 586 NE2 HIS A 37 9.498 3.451 -2.387 1.00 1.34 N ATOM 0 H HIS A 37 8.178 -0.827 0.061 1.00 1.06 H new ATOM 0 HA HIS A 37 6.602 1.637 0.408 1.00 1.01 H new ATOM 0 HB2 HIS A 37 7.397 0.041 -2.021 1.00 1.10 H new ATOM 0 HB3 HIS A 37 6.000 1.099 -2.055 1.00 1.10 H new ATOM 0 HD2 HIS A 37 9.751 1.276 -2.537 1.00 1.26 H new ATOM 0 HE1 HIS A 37 8.422 5.255 -1.961 1.00 1.33 H new ATOM 0 HE2 HIS A 37 10.401 3.812 -2.693 1.00 1.34 H new ATOM 594 N HIS A 38 4.383 0.539 0.270 1.00 0.82 N ATOM 595 CA HIS A 38 3.096 -0.092 0.464 1.00 0.74 C ATOM 596 C HIS A 38 2.319 -0.006 -0.835 1.00 0.78 C ATOM 597 O HIS A 38 1.713 1.019 -1.148 1.00 0.77 O ATOM 598 CB HIS A 38 2.341 0.581 1.615 1.00 0.62 C ATOM 599 CG HIS A 38 3.121 0.604 2.897 1.00 0.59 C ATOM 600 ND1 HIS A 38 3.377 -0.548 3.601 1.00 0.60 N ATOM 601 CD2 HIS A 38 3.701 1.650 3.537 1.00 0.59 C ATOM 602 CE1 HIS A 38 4.104 -0.182 4.640 1.00 0.61 C ATOM 603 NE2 HIS A 38 4.325 1.139 4.645 1.00 0.60 N ATOM 0 H HIS A 38 4.354 1.559 0.277 1.00 0.82 H new ATOM 0 HA HIS A 38 3.226 -1.140 0.734 1.00 0.74 H new ATOM 0 HB2 HIS A 38 2.092 1.603 1.330 1.00 0.62 H new ATOM 0 HB3 HIS A 38 1.399 0.057 1.779 1.00 0.62 H new ATOM 0 HD2 HIS A 38 3.676 2.686 3.232 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.474 -0.863 5.392 1.00 0.61 H new ATOM 0 HE2 HIS A 38 4.856 1.664 5.340 1.00 0.60 H new ATOM 611 N MET A 39 2.370 -1.070 -1.610 1.00 0.84 N ATOM 612 CA MET A 39 1.706 -1.094 -2.895 1.00 0.91 C ATOM 613 C MET A 39 0.671 -2.200 -2.971 1.00 0.88 C ATOM 614 O MET A 39 0.890 -3.311 -2.486 1.00 0.87 O ATOM 615 CB MET A 39 2.746 -1.275 -4.010 1.00 1.05 C ATOM 616 CG MET A 39 2.190 -1.899 -5.287 1.00 1.11 C ATOM 617 SD MET A 39 2.725 -3.605 -5.522 1.00 1.16 S ATOM 618 CE MET A 39 4.160 -3.356 -6.561 1.00 1.33 C ATOM 0 H MET A 39 2.865 -1.929 -1.371 1.00 0.84 H new ATOM 0 HA MET A 39 1.187 -0.144 -3.023 1.00 0.91 H new ATOM 0 HB2 MET A 39 3.177 -0.303 -4.251 1.00 1.05 H new ATOM 0 HB3 MET A 39 3.558 -1.900 -3.637 1.00 1.05 H new ATOM 0 HG2 MET A 39 1.101 -1.865 -5.258 1.00 1.11 H new ATOM 0 HG3 MET A 39 2.505 -1.303 -6.144 1.00 1.11 H new ATOM 0 HE1 MET A 39 4.776 -4.255 -6.552 1.00 1.33 H new ATOM 0 HE2 MET A 39 3.839 -3.146 -7.581 1.00 1.33 H new ATOM 0 HE3 MET A 39 4.741 -2.515 -6.183 1.00 1.33 H new ATOM 628 N VAL A 40 -0.473 -1.872 -3.541 1.00 0.87 N ATOM 629 CA VAL A 40 -1.519 -2.846 -3.748 1.00 0.87 C ATOM 630 C VAL A 40 -1.059 -3.752 -4.883 1.00 1.00 C ATOM 631 O VAL A 40 -0.832 -3.293 -5.998 1.00 1.10 O ATOM 632 CB VAL A 40 -2.872 -2.169 -4.075 1.00 0.87 C ATOM 633 CG1 VAL A 40 -2.659 -0.868 -4.833 1.00 0.94 C ATOM 634 CG2 VAL A 40 -3.784 -3.104 -4.853 1.00 0.93 C ATOM 0 H VAL A 40 -0.699 -0.933 -3.869 1.00 0.87 H new ATOM 0 HA VAL A 40 -1.689 -3.424 -2.840 1.00 0.87 H new ATOM 0 HB VAL A 40 -3.362 -1.936 -3.130 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -3.625 -0.412 -5.051 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.064 -0.186 -4.225 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -2.135 -1.073 -5.767 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -4.726 -2.599 -5.067 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -3.303 -3.386 -5.789 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -3.978 -3.998 -4.261 1.00 0.93 H new ATOM 644 N TRP A 41 -0.904 -5.023 -4.586 1.00 1.00 N ATOM 645 CA TRP A 41 -0.391 -5.984 -5.550 1.00 1.13 C ATOM 646 C TRP A 41 -1.469 -6.562 -6.444 1.00 1.19 C ATOM 647 O TRP A 41 -1.217 -6.861 -7.610 1.00 1.30 O ATOM 648 CB TRP A 41 0.313 -7.102 -4.796 1.00 1.14 C ATOM 649 CG TRP A 41 0.781 -8.233 -5.660 1.00 1.32 C ATOM 650 CD1 TRP A 41 0.169 -9.441 -5.832 1.00 1.39 C ATOM 651 CD2 TRP A 41 1.965 -8.263 -6.462 1.00 1.46 C ATOM 652 NE1 TRP A 41 0.899 -10.219 -6.695 1.00 1.56 N ATOM 653 CE2 TRP A 41 2.006 -9.519 -7.097 1.00 1.61 C ATOM 654 CE3 TRP A 41 2.993 -7.350 -6.710 1.00 1.50 C ATOM 655 CZ2 TRP A 41 3.034 -9.884 -7.958 1.00 1.78 C ATOM 656 CZ3 TRP A 41 4.013 -7.715 -7.565 1.00 1.69 C ATOM 657 CH2 TRP A 41 4.025 -8.972 -8.183 1.00 1.82 C ATOM 0 H TRP A 41 -1.128 -5.423 -3.675 1.00 1.00 H new ATOM 0 HA TRP A 41 0.303 -5.458 -6.206 1.00 1.13 H new ATOM 0 HB2 TRP A 41 1.171 -6.684 -4.269 1.00 1.14 H new ATOM 0 HB3 TRP A 41 -0.365 -7.496 -4.039 1.00 1.14 H new ATOM 0 HD1 TRP A 41 -0.754 -9.740 -5.358 1.00 1.39 H new ATOM 0 HE1 TRP A 41 0.657 -11.165 -6.989 1.00 1.56 H new ATOM 0 HE3 TRP A 41 2.990 -6.377 -6.241 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 3.049 -10.854 -8.432 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 4.816 -7.020 -7.761 1.00 1.69 H new ATOM 0 HH2 TRP A 41 4.835 -9.225 -8.851 1.00 1.82 H new ATOM 668 N HIS A 42 -2.659 -6.727 -5.911 1.00 1.12 N ATOM 669 CA HIS A 42 -3.740 -7.295 -6.692 1.00 1.19 C ATOM 670 C HIS A 42 -5.082 -6.772 -6.220 1.00 1.12 C ATOM 671 O HIS A 42 -5.252 -6.450 -5.044 1.00 1.01 O ATOM 672 CB HIS A 42 -3.698 -8.825 -6.581 1.00 1.23 C ATOM 673 CG HIS A 42 -4.684 -9.531 -7.460 1.00 1.31 C ATOM 674 ND1 HIS A 42 -5.852 -10.045 -6.953 1.00 1.33 N ATOM 675 CD2 HIS A 42 -4.636 -9.765 -8.791 1.00 1.40 C ATOM 676 CE1 HIS A 42 -6.487 -10.577 -7.983 1.00 1.42 C ATOM 677 NE2 HIS A 42 -5.789 -10.431 -9.116 1.00 1.46 N ATOM 0 H HIS A 42 -2.903 -6.480 -4.952 1.00 1.12 H new ATOM 0 HA HIS A 42 -3.613 -7.001 -7.734 1.00 1.19 H new ATOM 0 HB2 HIS A 42 -2.694 -9.169 -6.831 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -3.884 -9.108 -5.545 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -3.843 -9.482 -9.467 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -7.447 -11.067 -7.919 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -6.063 -10.754 -10.044 1.00 1.46 H new ATOM 685 N VAL A 43 -6.016 -6.679 -7.154 1.00 1.20 N ATOM 686 CA VAL A 43 -7.361 -6.218 -6.869 1.00 1.18 C ATOM 687 C VAL A 43 -8.364 -7.209 -7.444 1.00 1.24 C ATOM 688 O VAL A 43 -8.409 -7.419 -8.659 1.00 1.37 O ATOM 689 CB VAL A 43 -7.633 -4.818 -7.464 1.00 1.21 C ATOM 690 CG1 VAL A 43 -8.993 -4.313 -7.023 1.00 1.20 C ATOM 691 CG2 VAL A 43 -6.547 -3.835 -7.060 1.00 1.14 C ATOM 0 H VAL A 43 -5.860 -6.922 -8.132 1.00 1.20 H new ATOM 0 HA VAL A 43 -7.466 -6.147 -5.786 1.00 1.18 H new ATOM 0 HB VAL A 43 -7.626 -4.903 -8.551 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -9.171 -3.326 -7.450 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -9.765 -5.001 -7.366 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -9.022 -4.248 -5.935 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -6.762 -2.858 -7.492 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -6.516 -3.753 -5.974 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -5.582 -4.188 -7.425 1.00 1.14 H new ATOM 701 N GLU A 44 -9.145 -7.826 -6.568 1.00 1.17 N ATOM 702 CA GLU A 44 -10.140 -8.792 -6.958 1.00 1.23 C ATOM 703 C GLU A 44 -11.125 -8.194 -7.964 1.00 1.34 C ATOM 704 O GLU A 44 -11.638 -7.086 -7.770 1.00 1.35 O ATOM 705 CB GLU A 44 -10.875 -9.258 -5.708 1.00 1.16 C ATOM 706 CG GLU A 44 -10.020 -10.083 -4.757 1.00 1.11 C ATOM 707 CD GLU A 44 -9.749 -11.483 -5.273 1.00 1.19 C ATOM 708 OE1 GLU A 44 -8.888 -11.633 -6.163 1.00 1.17 O ATOM 709 OE2 GLU A 44 -10.393 -12.442 -4.796 1.00 1.54 O ATOM 0 H GLU A 44 -9.099 -7.663 -5.562 1.00 1.17 H new ATOM 0 HA GLU A 44 -9.652 -9.637 -7.443 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -11.254 -8.386 -5.175 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -11.741 -9.849 -6.007 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -9.072 -9.572 -4.592 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -10.519 -10.148 -3.790 1.00 1.11 H new ATOM 716 N ASP A 45 -11.370 -8.930 -9.043 1.00 1.44 N ATOM 717 CA ASP A 45 -12.284 -8.488 -10.092 1.00 1.55 C ATOM 718 C ASP A 45 -13.691 -8.305 -9.540 1.00 1.55 C ATOM 719 O ASP A 45 -14.293 -9.246 -9.025 1.00 1.60 O ATOM 720 CB ASP A 45 -12.302 -9.493 -11.247 1.00 1.69 C ATOM 721 CG ASP A 45 -11.418 -9.073 -12.406 1.00 1.81 C ATOM 722 OD1 ASP A 45 -10.197 -9.343 -12.361 1.00 1.92 O ATOM 723 OD2 ASP A 45 -11.941 -8.482 -13.374 1.00 1.94 O ATOM 0 H ASP A 45 -10.946 -9.841 -9.215 1.00 1.44 H new ATOM 0 HA ASP A 45 -11.929 -7.528 -10.466 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -11.975 -10.466 -10.881 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -13.326 -9.613 -11.602 1.00 1.69 H new ATOM 728 N GLY A 46 -14.203 -7.088 -9.626 1.00 1.54 N ATOM 729 CA GLY A 46 -15.534 -6.808 -9.124 1.00 1.56 C ATOM 730 C GLY A 46 -15.546 -6.561 -7.629 1.00 1.46 C ATOM 731 O GLY A 46 -16.609 -6.492 -7.009 1.00 1.49 O ATOM 0 H GLY A 46 -13.721 -6.287 -10.035 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -15.937 -5.935 -9.637 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -16.191 -7.646 -9.357 1.00 1.56 H new ATOM 735 N GLY A 47 -14.359 -6.437 -7.049 1.00 1.37 N ATOM 736 CA GLY A 47 -14.245 -6.200 -5.626 1.00 1.28 C ATOM 737 C GLY A 47 -14.483 -4.746 -5.281 1.00 1.27 C ATOM 738 O GLY A 47 -14.486 -3.898 -6.173 1.00 1.33 O ATOM 0 H GLY A 47 -13.469 -6.497 -7.544 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -14.964 -6.823 -5.094 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -13.253 -6.497 -5.286 1.00 1.28 H new ATOM 742 N PRO A 48 -14.636 -4.419 -3.992 1.00 1.20 N ATOM 743 CA PRO A 48 -14.895 -3.050 -3.534 1.00 1.20 C ATOM 744 C PRO A 48 -13.820 -2.101 -3.993 1.00 1.16 C ATOM 745 O PRO A 48 -14.090 -1.014 -4.497 1.00 1.21 O ATOM 746 CB PRO A 48 -14.840 -3.191 -2.016 1.00 1.13 C ATOM 747 CG PRO A 48 -15.205 -4.589 -1.771 1.00 1.13 C ATOM 748 CD PRO A 48 -14.530 -5.346 -2.859 1.00 1.13 C ATOM 0 HA PRO A 48 -15.834 -2.649 -3.917 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -13.845 -2.966 -1.631 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -15.534 -2.507 -1.527 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -14.869 -4.921 -0.789 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -16.286 -4.728 -1.802 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -13.492 -5.573 -2.614 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -15.025 -6.296 -3.062 1.00 1.13 H new ATOM 756 N ALA A 49 -12.592 -2.533 -3.802 1.00 1.09 N ATOM 757 CA ALA A 49 -11.437 -1.743 -4.200 1.00 1.06 C ATOM 758 C ALA A 49 -11.446 -1.489 -5.700 1.00 1.16 C ATOM 759 O ALA A 49 -11.105 -0.399 -6.156 1.00 1.19 O ATOM 760 CB ALA A 49 -10.143 -2.426 -3.776 1.00 0.97 C ATOM 0 H ALA A 49 -12.363 -3.429 -3.372 1.00 1.09 H new ATOM 0 HA ALA A 49 -11.495 -0.780 -3.693 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -9.293 -1.818 -4.084 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -10.132 -2.543 -2.692 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -10.077 -3.406 -4.248 1.00 0.97 H new ATOM 766 N SER A 50 -11.857 -2.493 -6.453 1.00 1.23 N ATOM 767 CA SER A 50 -11.937 -2.385 -7.898 1.00 1.34 C ATOM 768 C SER A 50 -12.981 -1.341 -8.268 1.00 1.40 C ATOM 769 O SER A 50 -12.809 -0.565 -9.210 1.00 1.46 O ATOM 770 CB SER A 50 -12.328 -3.737 -8.486 1.00 1.41 C ATOM 771 OG SER A 50 -11.634 -4.004 -9.691 1.00 1.45 O ATOM 0 H SER A 50 -12.143 -3.400 -6.084 1.00 1.23 H new ATOM 0 HA SER A 50 -10.969 -2.085 -8.299 1.00 1.34 H new ATOM 0 HB2 SER A 50 -12.116 -4.524 -7.762 1.00 1.41 H new ATOM 0 HB3 SER A 50 -13.402 -3.756 -8.672 1.00 1.41 H new ATOM 0 HG SER A 50 -11.907 -4.878 -10.039 1.00 1.45 H new ATOM 777 N GLU A 51 -14.051 -1.320 -7.488 1.00 1.39 N ATOM 778 CA GLU A 51 -15.148 -0.391 -7.699 1.00 1.46 C ATOM 779 C GLU A 51 -14.720 1.019 -7.334 1.00 1.45 C ATOM 780 O GLU A 51 -15.099 1.994 -7.986 1.00 1.55 O ATOM 781 CB GLU A 51 -16.357 -0.808 -6.860 1.00 1.47 C ATOM 782 CG GLU A 51 -16.774 -2.248 -7.086 1.00 1.50 C ATOM 783 CD GLU A 51 -18.014 -2.630 -6.306 1.00 1.58 C ATOM 784 OE1 GLU A 51 -17.924 -2.771 -5.071 1.00 1.55 O ATOM 785 OE2 GLU A 51 -19.088 -2.797 -6.926 1.00 1.84 O ATOM 0 H GLU A 51 -14.182 -1.945 -6.693 1.00 1.39 H new ATOM 0 HA GLU A 51 -15.426 -0.410 -8.753 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -16.125 -0.665 -5.805 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -17.196 -0.153 -7.093 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -16.956 -2.406 -8.149 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -15.954 -2.908 -6.802 1.00 1.50 H new ATOM 792 N ALA A 52 -13.921 1.104 -6.291 1.00 1.33 N ATOM 793 CA ALA A 52 -13.401 2.367 -5.808 1.00 1.31 C ATOM 794 C ALA A 52 -12.380 2.941 -6.782 1.00 1.34 C ATOM 795 O ALA A 52 -12.152 4.148 -6.814 1.00 1.36 O ATOM 796 CB ALA A 52 -12.791 2.169 -4.441 1.00 1.20 C ATOM 0 H ALA A 52 -13.612 0.295 -5.752 1.00 1.33 H new ATOM 0 HA ALA A 52 -14.219 3.083 -5.731 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -12.399 3.119 -4.076 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -13.552 1.802 -3.753 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -11.980 1.443 -4.506 1.00 1.20 H new ATOM 802 N GLY A 53 -11.762 2.064 -7.563 1.00 1.35 N ATOM 803 CA GLY A 53 -10.795 2.505 -8.539 1.00 1.39 C ATOM 804 C GLY A 53 -9.363 2.145 -8.198 1.00 1.31 C ATOM 805 O GLY A 53 -8.444 2.600 -8.875 1.00 1.33 O ATOM 0 H GLY A 53 -11.916 1.056 -7.535 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -11.047 2.070 -9.506 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -10.871 3.587 -8.646 1.00 1.39 H new ATOM 809 N LEU A 54 -9.164 1.344 -7.158 1.00 1.22 N ATOM 810 CA LEU A 54 -7.821 0.938 -6.755 1.00 1.14 C ATOM 811 C LEU A 54 -7.183 0.088 -7.842 1.00 1.21 C ATOM 812 O LEU A 54 -7.812 -0.817 -8.394 1.00 1.26 O ATOM 813 CB LEU A 54 -7.865 0.151 -5.447 1.00 1.04 C ATOM 814 CG LEU A 54 -6.878 0.599 -4.361 1.00 0.94 C ATOM 815 CD1 LEU A 54 -6.566 -0.539 -3.404 1.00 0.85 C ATOM 816 CD2 LEU A 54 -5.595 1.129 -4.969 1.00 0.96 C ATOM 0 H LEU A 54 -9.913 0.963 -6.579 1.00 1.22 H new ATOM 0 HA LEU A 54 -7.224 1.837 -6.603 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -8.875 0.214 -5.041 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -7.677 -0.899 -5.671 1.00 1.04 H new ATOM 0 HG LEU A 54 -7.354 1.405 -3.803 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -5.864 -0.194 -2.645 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -7.486 -0.873 -2.923 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -6.124 -1.368 -3.956 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -4.916 1.438 -4.174 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -5.124 0.347 -5.564 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -5.821 1.984 -5.607 1.00 0.96 H new ATOM 828 N ARG A 55 -5.940 0.387 -8.143 1.00 1.21 N ATOM 829 CA ARG A 55 -5.211 -0.326 -9.168 1.00 1.28 C ATOM 830 C ARG A 55 -3.971 -0.979 -8.585 1.00 1.23 C ATOM 831 O ARG A 55 -3.270 -0.381 -7.773 1.00 1.18 O ATOM 832 CB ARG A 55 -4.821 0.636 -10.282 1.00 1.36 C ATOM 833 CG ARG A 55 -6.009 1.389 -10.850 1.00 1.41 C ATOM 834 CD ARG A 55 -6.709 0.588 -11.934 1.00 1.51 C ATOM 835 NE ARG A 55 -8.129 0.923 -12.035 1.00 1.57 N ATOM 836 CZ ARG A 55 -9.124 0.077 -11.755 1.00 1.58 C ATOM 837 NH1 ARG A 55 -8.864 -1.159 -11.334 1.00 1.55 N ATOM 838 NH2 ARG A 55 -10.384 0.473 -11.885 1.00 1.68 N ATOM 0 H ARG A 55 -5.407 1.128 -7.687 1.00 1.21 H new ATOM 0 HA ARG A 55 -5.852 -1.108 -9.575 1.00 1.28 H new ATOM 0 HB2 ARG A 55 -4.092 1.351 -9.900 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -4.333 0.080 -11.082 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -6.714 1.615 -10.050 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -5.675 2.343 -11.259 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -6.224 0.774 -12.892 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -6.602 -0.476 -11.724 1.00 1.51 H new ATOM 0 HE ARG A 55 -8.376 1.865 -12.339 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -7.898 -1.467 -11.223 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -9.631 -1.798 -11.123 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -10.591 1.421 -12.198 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -11.146 -0.171 -11.672 1.00 1.68 H new ATOM 852 N GLN A 56 -3.709 -2.207 -8.995 1.00 1.29 N ATOM 853 CA GLN A 56 -2.550 -2.933 -8.501 1.00 1.27 C ATOM 854 C GLN A 56 -1.276 -2.446 -9.179 1.00 1.33 C ATOM 855 O GLN A 56 -1.265 -2.165 -10.380 1.00 1.41 O ATOM 856 CB GLN A 56 -2.706 -4.446 -8.692 1.00 1.34 C ATOM 857 CG GLN A 56 -3.932 -4.844 -9.478 1.00 1.40 C ATOM 858 CD GLN A 56 -3.968 -6.309 -9.873 1.00 1.53 C ATOM 859 OE1 GLN A 56 -5.040 -6.906 -9.950 1.00 1.56 O ATOM 860 NE2 GLN A 56 -2.810 -6.897 -10.126 1.00 1.78 N ATOM 0 H GLN A 56 -4.279 -2.722 -9.666 1.00 1.29 H new ATOM 0 HA GLN A 56 -2.477 -2.735 -7.432 1.00 1.27 H new ATOM 0 HB2 GLN A 56 -1.821 -4.831 -9.199 1.00 1.34 H new ATOM 0 HB3 GLN A 56 -2.744 -4.923 -7.713 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -4.819 -4.617 -8.887 1.00 1.40 H new ATOM 0 HG3 GLN A 56 -3.986 -4.234 -10.380 1.00 1.40 H new ATOM 0 HE21 GLN A 56 -1.942 -6.367 -10.051 1.00 1.78 H new ATOM 0 HE22 GLN A 56 -2.786 -7.880 -10.396 1.00 1.78 H new ATOM 869 N GLY A 57 -0.212 -2.341 -8.398 1.00 1.30 N ATOM 870 CA GLY A 57 1.062 -1.895 -8.917 1.00 1.37 C ATOM 871 C GLY A 57 1.297 -0.413 -8.713 1.00 1.33 C ATOM 872 O GLY A 57 2.299 0.123 -9.182 1.00 1.39 O ATOM 0 H GLY A 57 -0.210 -2.560 -7.402 1.00 1.30 H new ATOM 0 HA2 GLY A 57 1.862 -2.454 -8.432 1.00 1.37 H new ATOM 0 HA3 GLY A 57 1.114 -2.123 -9.982 1.00 1.37 H new ATOM 876 N ASP A 58 0.363 0.259 -8.042 1.00 1.24 N ATOM 877 CA ASP A 58 0.509 1.686 -7.759 1.00 1.21 C ATOM 878 C ASP A 58 1.354 1.874 -6.508 1.00 1.13 C ATOM 879 O ASP A 58 2.141 1.008 -6.138 1.00 1.13 O ATOM 880 CB ASP A 58 -0.849 2.355 -7.521 1.00 1.16 C ATOM 881 CG ASP A 58 -1.769 2.327 -8.731 1.00 1.26 C ATOM 882 OD1 ASP A 58 -1.429 1.670 -9.739 1.00 1.43 O ATOM 883 OD2 ASP A 58 -2.831 2.985 -8.685 1.00 1.29 O ATOM 0 H ASP A 58 -0.497 -0.158 -7.686 1.00 1.24 H new ATOM 0 HA ASP A 58 0.985 2.146 -8.625 1.00 1.21 H new ATOM 0 HB2 ASP A 58 -1.346 1.859 -6.687 1.00 1.16 H new ATOM 0 HB3 ASP A 58 -0.686 3.391 -7.225 1.00 1.16 H new ATOM 888 N LEU A 59 1.179 3.003 -5.853 1.00 1.06 N ATOM 889 CA LEU A 59 1.886 3.294 -4.638 1.00 0.99 C ATOM 890 C LEU A 59 0.947 3.975 -3.666 1.00 0.89 C ATOM 891 O LEU A 59 0.447 5.063 -3.938 1.00 0.90 O ATOM 892 CB LEU A 59 3.091 4.200 -4.891 1.00 1.05 C ATOM 893 CG LEU A 59 4.417 3.480 -5.108 1.00 1.13 C ATOM 894 CD1 LEU A 59 5.542 4.490 -5.291 1.00 1.19 C ATOM 895 CD2 LEU A 59 4.720 2.541 -3.945 1.00 1.06 C ATOM 0 H LEU A 59 0.541 3.740 -6.154 1.00 1.06 H new ATOM 0 HA LEU A 59 2.250 2.353 -4.224 1.00 0.99 H new ATOM 0 HB2 LEU A 59 2.884 4.815 -5.766 1.00 1.05 H new ATOM 0 HB3 LEU A 59 3.199 4.877 -4.044 1.00 1.05 H new ATOM 0 HG LEU A 59 4.339 2.880 -6.014 1.00 1.13 H new ATOM 0 HD11 LEU A 59 6.483 3.962 -5.445 1.00 1.19 H new ATOM 0 HD12 LEU A 59 5.331 5.116 -6.158 1.00 1.19 H new ATOM 0 HD13 LEU A 59 5.618 5.115 -4.401 1.00 1.19 H new ATOM 0 HD21 LEU A 59 5.671 2.038 -4.122 1.00 1.06 H new ATOM 0 HD22 LEU A 59 4.779 3.115 -3.020 1.00 1.06 H new ATOM 0 HD23 LEU A 59 3.927 1.798 -3.861 1.00 1.06 H new ATOM 907 N ILE A 60 0.661 3.320 -2.565 1.00 0.80 N ATOM 908 CA ILE A 60 -0.202 3.906 -1.564 1.00 0.71 C ATOM 909 C ILE A 60 0.610 4.883 -0.713 1.00 0.68 C ATOM 910 O ILE A 60 1.520 4.482 0.016 1.00 0.66 O ATOM 911 CB ILE A 60 -0.854 2.831 -0.668 1.00 0.62 C ATOM 912 CG1 ILE A 60 -1.760 1.917 -1.505 1.00 0.67 C ATOM 913 CG2 ILE A 60 -1.641 3.485 0.459 1.00 0.54 C ATOM 914 CD1 ILE A 60 -2.127 0.623 -0.814 1.00 0.63 C ATOM 0 H ILE A 60 1.010 2.388 -2.340 1.00 0.80 H new ATOM 0 HA ILE A 60 -1.008 4.435 -2.072 1.00 0.71 H new ATOM 0 HB ILE A 60 -0.067 2.221 -0.225 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -2.674 2.457 -1.755 1.00 0.67 H new ATOM 0 HG13 ILE A 60 -1.259 1.687 -2.445 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -2.094 2.714 1.081 1.00 0.54 H new ATOM 0 HG22 ILE A 60 -0.970 4.093 1.066 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -2.423 4.117 0.038 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -2.768 0.031 -1.467 1.00 0.63 H new ATOM 0 HD12 ILE A 60 -1.221 0.061 -0.589 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -2.657 0.843 0.113 1.00 0.63 H new ATOM 926 N THR A 61 0.295 6.162 -0.835 1.00 0.70 N ATOM 927 CA THR A 61 1.010 7.198 -0.106 1.00 0.70 C ATOM 928 C THR A 61 0.324 7.529 1.221 1.00 0.61 C ATOM 929 O THR A 61 0.991 7.844 2.209 1.00 0.58 O ATOM 930 CB THR A 61 1.180 8.477 -0.970 1.00 0.80 C ATOM 931 OG1 THR A 61 1.720 9.553 -0.191 1.00 0.79 O ATOM 932 CG2 THR A 61 -0.140 8.909 -1.591 1.00 0.86 C ATOM 0 H THR A 61 -0.454 6.509 -1.434 1.00 0.70 H new ATOM 0 HA THR A 61 2.002 6.807 0.121 1.00 0.70 H new ATOM 0 HB THR A 61 1.877 8.233 -1.772 1.00 0.80 H new ATOM 0 HG1 THR A 61 1.820 10.348 -0.756 1.00 0.79 H new ATOM 0 HG21 THR A 61 0.016 9.807 -2.189 1.00 0.86 H new ATOM 0 HG22 THR A 61 -0.521 8.111 -2.228 1.00 0.86 H new ATOM 0 HG23 THR A 61 -0.862 9.119 -0.802 1.00 0.86 H new ATOM 940 N HIS A 62 -1.002 7.452 1.258 1.00 0.60 N ATOM 941 CA HIS A 62 -1.742 7.744 2.484 1.00 0.57 C ATOM 942 C HIS A 62 -2.931 6.815 2.624 1.00 0.55 C ATOM 943 O HIS A 62 -3.536 6.403 1.633 1.00 0.59 O ATOM 944 CB HIS A 62 -2.262 9.192 2.529 1.00 0.66 C ATOM 945 CG HIS A 62 -1.253 10.253 2.198 1.00 0.75 C ATOM 946 ND1 HIS A 62 -1.248 10.878 0.974 1.00 0.81 N ATOM 947 CD2 HIS A 62 -0.269 10.781 2.966 1.00 0.86 C ATOM 948 CE1 HIS A 62 -0.272 11.766 1.022 1.00 0.91 C ATOM 949 NE2 HIS A 62 0.349 11.744 2.207 1.00 0.95 N ATOM 0 H HIS A 62 -1.584 7.192 0.461 1.00 0.60 H new ATOM 0 HA HIS A 62 -1.038 7.598 3.303 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -3.098 9.281 1.835 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -2.655 9.387 3.527 1.00 0.66 H new ATOM 0 HD2 HIS A 62 -0.019 10.499 3.978 1.00 0.86 H new ATOM 0 HE1 HIS A 62 -0.009 12.426 0.209 1.00 0.91 H new ATOM 0 HE2 HIS A 62 1.133 12.331 2.492 1.00 0.95 H new ATOM 957 N VAL A 63 -3.253 6.486 3.858 1.00 0.51 N ATOM 958 CA VAL A 63 -4.392 5.639 4.160 1.00 0.50 C ATOM 959 C VAL A 63 -5.297 6.388 5.121 1.00 0.58 C ATOM 960 O VAL A 63 -4.910 6.645 6.257 1.00 0.59 O ATOM 961 CB VAL A 63 -3.972 4.297 4.791 1.00 0.42 C ATOM 962 CG1 VAL A 63 -5.193 3.535 5.275 1.00 0.44 C ATOM 963 CG2 VAL A 63 -3.182 3.456 3.802 1.00 0.38 C ATOM 0 H VAL A 63 -2.735 6.797 4.680 1.00 0.51 H new ATOM 0 HA VAL A 63 -4.907 5.408 3.228 1.00 0.50 H new ATOM 0 HB VAL A 63 -3.330 4.510 5.646 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -4.880 2.590 5.718 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -5.720 4.129 6.022 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.857 3.339 4.433 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -2.897 2.514 4.271 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -3.796 3.253 2.925 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -2.285 3.997 3.500 1.00 0.38 H new ATOM 973 N ASN A 64 -6.477 6.775 4.646 1.00 0.67 N ATOM 974 CA ASN A 64 -7.441 7.525 5.450 1.00 0.76 C ATOM 975 C ASN A 64 -6.875 8.905 5.771 1.00 0.81 C ATOM 976 O ASN A 64 -7.252 9.535 6.759 1.00 0.90 O ATOM 977 CB ASN A 64 -7.792 6.773 6.743 1.00 0.77 C ATOM 978 CG ASN A 64 -8.522 5.474 6.479 1.00 0.75 C ATOM 979 OD1 ASN A 64 -9.406 5.405 5.626 1.00 0.80 O ATOM 980 ND2 ASN A 64 -8.150 4.435 7.211 1.00 0.70 N ATOM 0 H ASN A 64 -6.793 6.579 3.696 1.00 0.67 H new ATOM 0 HA ASN A 64 -8.360 7.637 4.875 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -6.877 6.565 7.298 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -8.410 7.411 7.374 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -8.602 3.530 7.079 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -7.412 4.540 7.907 1.00 0.70 H new ATOM 987 N GLY A 65 -5.957 9.356 4.919 1.00 0.78 N ATOM 988 CA GLY A 65 -5.329 10.651 5.098 1.00 0.83 C ATOM 989 C GLY A 65 -4.138 10.597 6.034 1.00 0.81 C ATOM 990 O GLY A 65 -3.581 11.634 6.401 1.00 0.90 O ATOM 0 H GLY A 65 -5.636 8.840 4.100 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -5.008 11.032 4.129 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -6.063 11.355 5.490 1.00 0.83 H new ATOM 994 N GLU A 66 -3.721 9.390 6.400 1.00 0.71 N ATOM 995 CA GLU A 66 -2.604 9.216 7.319 1.00 0.71 C ATOM 996 C GLU A 66 -1.322 8.897 6.562 1.00 0.66 C ATOM 997 O GLU A 66 -1.321 8.049 5.668 1.00 0.58 O ATOM 998 CB GLU A 66 -2.893 8.082 8.301 1.00 0.70 C ATOM 999 CG GLU A 66 -4.247 8.178 8.984 1.00 0.77 C ATOM 1000 CD GLU A 66 -4.251 9.148 10.149 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -4.130 10.368 9.910 1.00 1.36 O ATOM 1002 OE2 GLU A 66 -4.389 8.702 11.305 1.00 1.30 O ATOM 0 H GLU A 66 -4.140 8.519 6.074 1.00 0.71 H new ATOM 0 HA GLU A 66 -2.476 10.151 7.864 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -2.834 7.132 7.769 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -2.114 8.070 9.064 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -4.995 8.490 8.255 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -4.540 7.190 9.339 1.00 0.77 H new ATOM 1009 N PRO A 67 -0.218 9.587 6.890 1.00 0.73 N ATOM 1010 CA PRO A 67 1.080 9.345 6.261 1.00 0.72 C ATOM 1011 C PRO A 67 1.629 7.972 6.630 1.00 0.64 C ATOM 1012 O PRO A 67 2.019 7.729 7.774 1.00 0.72 O ATOM 1013 CB PRO A 67 1.981 10.449 6.826 1.00 0.84 C ATOM 1014 CG PRO A 67 1.057 11.443 7.446 1.00 0.90 C ATOM 1015 CD PRO A 67 -0.148 10.673 7.878 1.00 0.84 C ATOM 0 HA PRO A 67 1.017 9.361 5.173 1.00 0.72 H new ATOM 0 HB2 PRO A 67 2.677 10.048 7.563 1.00 0.84 H new ATOM 0 HB3 PRO A 67 2.579 10.908 6.039 1.00 0.84 H new ATOM 0 HG2 PRO A 67 1.529 11.937 8.295 1.00 0.90 H new ATOM 0 HG3 PRO A 67 0.787 12.222 6.733 1.00 0.90 H new ATOM 0 HD2 PRO A 67 -0.039 10.289 8.892 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -1.047 11.289 7.865 1.00 0.84 H new ATOM 1023 N VAL A 68 1.653 7.078 5.654 1.00 0.53 N ATOM 1024 CA VAL A 68 2.139 5.720 5.869 1.00 0.48 C ATOM 1025 C VAL A 68 3.637 5.631 5.624 1.00 0.56 C ATOM 1026 O VAL A 68 4.255 4.590 5.860 1.00 0.60 O ATOM 1027 CB VAL A 68 1.413 4.715 4.954 1.00 0.42 C ATOM 1028 CG1 VAL A 68 -0.092 4.810 5.155 1.00 0.40 C ATOM 1029 CG2 VAL A 68 1.773 4.942 3.491 1.00 0.52 C ATOM 0 H VAL A 68 1.341 7.267 4.702 1.00 0.53 H new ATOM 0 HA VAL A 68 1.931 5.466 6.908 1.00 0.48 H new ATOM 0 HB VAL A 68 1.740 3.712 5.226 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.592 4.094 4.502 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.335 4.586 6.194 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.428 5.818 4.913 1.00 0.40 H new ATOM 0 HG21 VAL A 68 1.246 4.218 2.870 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.484 5.951 3.197 1.00 0.52 H new ATOM 0 HG23 VAL A 68 2.848 4.820 3.358 1.00 0.52 H new ATOM 1039 N HIS A 69 4.214 6.728 5.155 1.00 0.62 N ATOM 1040 CA HIS A 69 5.638 6.787 4.874 1.00 0.73 C ATOM 1041 C HIS A 69 6.443 6.735 6.169 1.00 0.77 C ATOM 1042 O HIS A 69 6.681 7.761 6.807 1.00 0.84 O ATOM 1043 CB HIS A 69 5.971 8.060 4.087 1.00 0.82 C ATOM 1044 CG HIS A 69 7.403 8.153 3.651 1.00 0.94 C ATOM 1045 ND1 HIS A 69 7.932 7.280 2.733 1.00 1.39 N ATOM 1046 CD2 HIS A 69 8.362 9.026 4.038 1.00 1.09 C ATOM 1047 CE1 HIS A 69 9.196 7.637 2.583 1.00 1.37 C ATOM 1048 NE2 HIS A 69 9.504 8.691 3.356 1.00 1.17 N ATOM 0 H HIS A 69 3.712 7.594 4.960 1.00 0.62 H new ATOM 0 HA HIS A 69 5.908 5.922 4.268 1.00 0.73 H new ATOM 0 HB2 HIS A 69 5.330 8.108 3.206 1.00 0.82 H new ATOM 0 HB3 HIS A 69 5.733 8.928 4.702 1.00 0.82 H new ATOM 0 HD2 HIS A 69 8.250 9.832 4.748 1.00 1.09 H new ATOM 0 HE1 HIS A 69 9.893 7.143 1.922 1.00 1.37 H new ATOM 0 HE2 HIS A 69 10.411 9.153 3.423 1.00 1.17 H new ATOM 1056 N GLY A 70 6.837 5.533 6.566 1.00 0.80 N ATOM 1057 CA GLY A 70 7.611 5.377 7.778 1.00 0.89 C ATOM 1058 C GLY A 70 7.158 4.202 8.620 1.00 0.86 C ATOM 1059 O GLY A 70 7.924 3.690 9.439 1.00 0.98 O ATOM 0 H GLY A 70 6.634 4.665 6.070 1.00 0.80 H new ATOM 0 HA2 GLY A 70 8.662 5.247 7.518 1.00 0.89 H new ATOM 0 HA3 GLY A 70 7.539 6.290 8.369 1.00 0.89 H new ATOM 1063 N LEU A 71 5.914 3.766 8.438 1.00 0.74 N ATOM 1064 CA LEU A 71 5.405 2.647 9.212 1.00 0.72 C ATOM 1065 C LEU A 71 5.784 1.322 8.588 1.00 0.73 C ATOM 1066 O LEU A 71 6.411 1.258 7.531 1.00 0.82 O ATOM 1067 CB LEU A 71 3.885 2.676 9.324 1.00 0.67 C ATOM 1068 CG LEU A 71 3.232 4.036 9.377 1.00 0.57 C ATOM 1069 CD1 LEU A 71 1.746 3.879 9.153 1.00 0.47 C ATOM 1070 CD2 LEU A 71 3.517 4.731 10.698 1.00 0.83 C ATOM 0 H LEU A 71 5.253 4.165 7.772 1.00 0.74 H new ATOM 0 HA LEU A 71 5.854 2.745 10.200 1.00 0.72 H new ATOM 0 HB2 LEU A 71 3.471 2.134 8.474 1.00 0.67 H new ATOM 0 HB3 LEU A 71 3.600 2.127 10.222 1.00 0.67 H new ATOM 0 HG LEU A 71 3.649 4.664 8.590 1.00 0.57 H new ATOM 0 HD11 LEU A 71 1.267 4.857 9.190 1.00 0.47 H new ATOM 0 HD12 LEU A 71 1.571 3.426 8.177 1.00 0.47 H new ATOM 0 HD13 LEU A 71 1.326 3.240 9.930 1.00 0.47 H new ATOM 0 HD21 LEU A 71 3.034 5.708 10.707 1.00 0.83 H new ATOM 0 HD22 LEU A 71 3.129 4.127 11.518 1.00 0.83 H new ATOM 0 HD23 LEU A 71 4.593 4.857 10.818 1.00 0.83 H new ATOM 1082 N VAL A 72 5.360 0.272 9.259 1.00 0.68 N ATOM 1083 CA VAL A 72 5.589 -1.084 8.816 1.00 0.68 C ATOM 1084 C VAL A 72 4.414 -1.554 7.975 1.00 0.59 C ATOM 1085 O VAL A 72 3.462 -0.802 7.752 1.00 0.52 O ATOM 1086 CB VAL A 72 5.742 -2.026 10.016 1.00 0.72 C ATOM 1087 CG1 VAL A 72 6.999 -1.694 10.802 1.00 0.82 C ATOM 1088 CG2 VAL A 72 4.505 -1.942 10.901 1.00 0.69 C ATOM 0 H VAL A 72 4.842 0.338 10.135 1.00 0.68 H new ATOM 0 HA VAL A 72 6.505 -1.100 8.226 1.00 0.68 H new ATOM 0 HB VAL A 72 5.839 -3.049 9.652 1.00 0.72 H new ATOM 0 HG11 VAL A 72 7.089 -2.374 11.649 1.00 0.82 H new ATOM 0 HG12 VAL A 72 7.871 -1.801 10.157 1.00 0.82 H new ATOM 0 HG13 VAL A 72 6.941 -0.668 11.165 1.00 0.82 H new ATOM 0 HG21 VAL A 72 4.620 -2.614 11.752 1.00 0.69 H new ATOM 0 HG22 VAL A 72 4.383 -0.920 11.259 1.00 0.69 H new ATOM 0 HG23 VAL A 72 3.626 -2.232 10.326 1.00 0.69 H new ATOM 1098 N HIS A 73 4.466 -2.805 7.547 1.00 0.60 N ATOM 1099 CA HIS A 73 3.406 -3.378 6.735 1.00 0.53 C ATOM 1100 C HIS A 73 2.103 -3.486 7.526 1.00 0.44 C ATOM 1101 O HIS A 73 1.032 -3.167 7.024 1.00 0.36 O ATOM 1102 CB HIS A 73 3.826 -4.758 6.228 1.00 0.60 C ATOM 1103 CG HIS A 73 2.819 -5.412 5.331 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.316 -4.835 4.184 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.228 -6.628 5.428 1.00 0.58 C ATOM 1106 CE1 HIS A 73 1.458 -5.701 3.633 1.00 0.58 C ATOM 1107 NE2 HIS A 73 1.369 -6.805 4.349 1.00 0.58 N ATOM 0 H HIS A 73 5.234 -3.445 7.750 1.00 0.60 H new ATOM 0 HA HIS A 73 3.233 -2.718 5.885 1.00 0.53 H new ATOM 0 HB2 HIS A 73 4.769 -4.664 5.690 1.00 0.60 H new ATOM 0 HB3 HIS A 73 4.010 -5.407 7.084 1.00 0.60 H new ATOM 0 HD1 HIS A 73 2.555 -3.913 3.821 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.397 -7.345 6.218 1.00 0.58 H new ATOM 0 HE1 HIS A 73 0.910 -5.520 2.720 1.00 0.58 H new ATOM 1115 N THR A 74 2.203 -3.917 8.770 1.00 0.48 N ATOM 1116 CA THR A 74 1.027 -4.080 9.610 1.00 0.44 C ATOM 1117 C THR A 74 0.425 -2.745 10.045 1.00 0.41 C ATOM 1118 O THR A 74 -0.788 -2.653 10.210 1.00 0.39 O ATOM 1119 CB THR A 74 1.343 -4.930 10.847 1.00 0.52 C ATOM 1120 OG1 THR A 74 2.587 -4.515 11.428 1.00 0.57 O ATOM 1121 CG2 THR A 74 1.419 -6.401 10.478 1.00 0.57 C ATOM 0 H THR A 74 3.084 -4.161 9.222 1.00 0.48 H new ATOM 0 HA THR A 74 0.287 -4.595 8.997 1.00 0.44 H new ATOM 0 HB THR A 74 0.542 -4.789 11.573 1.00 0.52 H new ATOM 0 HG1 THR A 74 2.778 -5.063 12.218 1.00 0.57 H new ATOM 0 HG21 THR A 74 1.644 -6.988 11.368 1.00 0.57 H new ATOM 0 HG22 THR A 74 0.463 -6.722 10.064 1.00 0.57 H new ATOM 0 HG23 THR A 74 2.204 -6.550 9.737 1.00 0.57 H new ATOM 1129 N GLU A 75 1.250 -1.707 10.216 1.00 0.45 N ATOM 1130 CA GLU A 75 0.735 -0.414 10.632 1.00 0.46 C ATOM 1131 C GLU A 75 -0.273 0.100 9.629 1.00 0.37 C ATOM 1132 O GLU A 75 -1.347 0.571 9.991 1.00 0.38 O ATOM 1133 CB GLU A 75 1.848 0.607 10.825 1.00 0.53 C ATOM 1134 CG GLU A 75 2.624 0.373 12.100 1.00 0.66 C ATOM 1135 CD GLU A 75 1.813 0.696 13.336 1.00 0.74 C ATOM 1136 OE1 GLU A 75 1.744 1.880 13.723 1.00 0.80 O ATOM 1137 OE2 GLU A 75 1.239 -0.238 13.931 1.00 0.88 O ATOM 0 H GLU A 75 2.259 -1.742 10.074 1.00 0.45 H new ATOM 0 HA GLU A 75 0.245 -0.555 11.595 1.00 0.46 H new ATOM 0 HB2 GLU A 75 2.529 0.565 9.975 1.00 0.53 H new ATOM 0 HB3 GLU A 75 1.420 1.609 10.841 1.00 0.53 H new ATOM 0 HG2 GLU A 75 2.945 -0.668 12.141 1.00 0.66 H new ATOM 0 HG3 GLU A 75 3.526 0.985 12.091 1.00 0.66 H new ATOM 1144 N VAL A 76 0.075 -0.024 8.363 1.00 0.32 N ATOM 1145 CA VAL A 76 -0.803 0.422 7.298 1.00 0.25 C ATOM 1146 C VAL A 76 -1.977 -0.545 7.137 1.00 0.20 C ATOM 1147 O VAL A 76 -3.099 -0.121 6.878 1.00 0.21 O ATOM 1148 CB VAL A 76 -0.039 0.606 5.971 1.00 0.26 C ATOM 1149 CG1 VAL A 76 1.107 1.577 6.179 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.493 -0.710 5.442 1.00 0.28 C ATOM 0 H VAL A 76 0.956 -0.428 8.047 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.200 1.399 7.574 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.736 1.002 5.232 1.00 0.26 H new ATOM 0 HG11 VAL A 76 1.648 1.708 5.242 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.714 2.539 6.508 1.00 0.37 H new ATOM 0 HG13 VAL A 76 1.784 1.183 6.937 1.00 0.37 H new ATOM 0 HG21 VAL A 76 1.025 -0.538 4.506 1.00 0.28 H new ATOM 0 HG22 VAL A 76 1.175 -1.147 6.172 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.337 -1.394 5.267 1.00 0.28 H new ATOM 1160 N VAL A 77 -1.715 -1.842 7.324 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.755 -2.866 7.236 1.00 0.20 C ATOM 1162 C VAL A 77 -3.854 -2.564 8.240 1.00 0.26 C ATOM 1163 O VAL A 77 -5.040 -2.546 7.900 1.00 0.29 O ATOM 1164 CB VAL A 77 -2.166 -4.277 7.496 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.235 -5.264 7.942 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.461 -4.794 6.253 1.00 0.28 C ATOM 0 H VAL A 77 -0.787 -2.207 7.538 1.00 0.21 H new ATOM 0 HA VAL A 77 -3.171 -2.854 6.229 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.443 -4.185 8.306 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -2.781 -6.240 8.113 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -3.694 -4.910 8.865 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -3.997 -5.350 7.167 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -1.053 -5.785 6.452 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -2.172 -4.853 5.429 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.651 -4.115 5.985 1.00 0.28 H new ATOM 1176 N GLU A 78 -3.445 -2.312 9.474 1.00 0.33 N ATOM 1177 CA GLU A 78 -4.380 -1.977 10.525 1.00 0.43 C ATOM 1178 C GLU A 78 -5.078 -0.694 10.188 1.00 0.45 C ATOM 1179 O GLU A 78 -6.292 -0.595 10.279 1.00 0.51 O ATOM 1180 CB GLU A 78 -3.671 -1.830 11.839 1.00 0.52 C ATOM 1181 CG GLU A 78 -3.000 -3.097 12.262 1.00 0.58 C ATOM 1182 CD GLU A 78 -2.659 -3.137 13.736 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -2.088 -2.150 14.242 1.00 1.12 O ATOM 1184 OE2 GLU A 78 -2.967 -4.148 14.400 1.00 1.32 O ATOM 0 H GLU A 78 -2.468 -2.334 9.768 1.00 0.33 H new ATOM 0 HA GLU A 78 -5.109 -2.783 10.610 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -2.929 -1.035 11.763 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -4.386 -1.526 12.604 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -3.650 -3.940 12.025 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -2.086 -3.226 11.682 1.00 0.58 H new ATOM 1191 N LEU A 79 -4.272 0.284 9.823 1.00 0.42 N ATOM 1192 CA LEU A 79 -4.759 1.605 9.417 1.00 0.47 C ATOM 1193 C LEU A 79 -5.960 1.467 8.485 1.00 0.48 C ATOM 1194 O LEU A 79 -7.018 2.045 8.736 1.00 0.58 O ATOM 1195 CB LEU A 79 -3.651 2.384 8.718 1.00 0.42 C ATOM 1196 CG LEU A 79 -3.415 3.794 9.241 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -2.606 3.764 10.527 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -2.717 4.627 8.184 1.00 0.46 C ATOM 0 H LEU A 79 -3.256 0.193 9.797 1.00 0.42 H new ATOM 0 HA LEU A 79 -5.067 2.148 10.311 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -2.722 1.821 8.808 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -3.886 2.443 7.655 1.00 0.42 H new ATOM 0 HG LEU A 79 -4.379 4.250 9.465 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -2.450 4.783 10.882 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -3.146 3.195 11.283 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -1.641 3.293 10.339 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -2.552 5.635 8.565 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -1.759 4.171 7.936 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -3.338 4.675 7.290 1.00 0.46 H new ATOM 1210 N ILE A 80 -5.781 0.713 7.399 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.849 0.451 6.459 1.00 0.45 C ATOM 1212 C ILE A 80 -8.056 -0.148 7.164 1.00 0.52 C ATOM 1213 O ILE A 80 -9.167 0.359 7.047 1.00 0.63 O ATOM 1214 CB ILE A 80 -6.357 -0.531 5.398 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -5.183 0.080 4.654 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -7.483 -0.927 4.461 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -4.214 -0.944 4.133 1.00 0.27 C ATOM 0 H ILE A 80 -4.893 0.273 7.156 1.00 0.40 H new ATOM 0 HA ILE A 80 -7.143 1.394 5.998 1.00 0.45 H new ATOM 0 HB ILE A 80 -6.017 -1.448 5.880 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -5.559 0.673 3.820 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.656 0.764 5.319 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -7.106 -1.627 3.715 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -8.282 -1.400 5.032 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -7.871 -0.039 3.962 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -3.399 -0.442 3.612 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.811 -1.521 4.966 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -4.728 -1.613 3.443 1.00 0.27 H new ATOM 1229 N LEU A 81 -7.826 -1.240 7.876 1.00 0.48 N ATOM 1230 CA LEU A 81 -8.888 -1.920 8.619 1.00 0.56 C ATOM 1231 C LEU A 81 -9.628 -0.975 9.583 1.00 0.68 C ATOM 1232 O LEU A 81 -10.854 -1.014 9.683 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.300 -3.102 9.396 1.00 0.52 C ATOM 1234 CG LEU A 81 -8.201 -4.408 8.612 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -7.285 -5.387 9.331 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -9.584 -5.008 8.415 1.00 0.68 C ATOM 0 H LEU A 81 -6.910 -1.680 7.958 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.618 -2.276 7.892 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -7.304 -2.829 9.743 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -8.911 -3.274 10.282 1.00 0.52 H new ATOM 0 HG LEU A 81 -7.775 -4.199 7.631 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -7.224 -6.314 8.761 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -6.290 -4.952 9.425 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -7.684 -5.597 10.323 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -9.500 -5.939 7.855 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -10.035 -5.209 9.387 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -10.209 -4.307 7.862 1.00 0.68 H new ATOM 1248 N LYS A 82 -8.878 -0.124 10.280 1.00 0.68 N ATOM 1249 CA LYS A 82 -9.445 0.816 11.249 1.00 0.80 C ATOM 1250 C LYS A 82 -10.368 1.872 10.635 1.00 0.87 C ATOM 1251 O LYS A 82 -11.070 2.573 11.369 1.00 1.00 O ATOM 1252 CB LYS A 82 -8.326 1.507 12.010 1.00 0.77 C ATOM 1253 CG LYS A 82 -7.457 0.516 12.735 1.00 0.75 C ATOM 1254 CD LYS A 82 -6.483 1.197 13.686 1.00 0.77 C ATOM 1255 CE LYS A 82 -5.403 1.961 12.936 1.00 0.78 C ATOM 1256 NZ LYS A 82 -4.397 2.551 13.857 1.00 0.88 N ATOM 0 H LYS A 82 -7.864 -0.065 10.191 1.00 0.68 H new ATOM 0 HA LYS A 82 -10.065 0.218 11.918 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -7.717 2.087 11.316 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -8.752 2.211 12.725 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -8.086 -0.176 13.295 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -6.900 -0.076 12.009 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -7.028 1.882 14.336 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -6.019 0.449 14.329 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -4.904 1.291 12.236 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -5.863 2.754 12.346 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -3.823 3.250 13.343 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -4.883 3.018 14.649 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -3.780 1.799 14.224 1.00 0.88 H new ATOM 1270 N SER A 83 -10.347 2.009 9.312 1.00 0.82 N ATOM 1271 CA SER A 83 -11.188 2.986 8.625 1.00 0.90 C ATOM 1272 C SER A 83 -12.655 2.862 9.044 1.00 1.02 C ATOM 1273 O SER A 83 -13.264 3.830 9.505 1.00 1.08 O ATOM 1274 CB SER A 83 -11.066 2.809 7.113 1.00 0.85 C ATOM 1275 OG SER A 83 -11.592 1.562 6.691 1.00 0.78 O ATOM 0 H SER A 83 -9.756 1.455 8.693 1.00 0.82 H new ATOM 0 HA SER A 83 -10.840 3.980 8.907 1.00 0.90 H new ATOM 0 HB2 SER A 83 -11.594 3.617 6.607 1.00 0.85 H new ATOM 0 HB3 SER A 83 -10.018 2.881 6.821 1.00 0.85 H new ATOM 0 HG SER A 83 -10.864 0.910 6.611 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.209 1.668 8.886 1.00 1.06 N ATOM 1282 CA GLY A 84 -14.591 1.435 9.243 1.00 1.18 C ATOM 1283 C GLY A 84 -15.547 1.863 8.147 1.00 1.22 C ATOM 1284 O GLY A 84 -15.636 3.053 7.829 1.00 1.29 O ATOM 0 H GLY A 84 -12.721 0.853 8.514 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -14.736 0.376 9.455 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -14.824 1.978 10.159 1.00 1.18 H new ATOM 1288 N ASN A 85 -16.250 0.890 7.569 1.00 1.19 N ATOM 1289 CA ASN A 85 -17.223 1.122 6.491 1.00 1.25 C ATOM 1290 C ASN A 85 -16.537 1.430 5.156 1.00 1.19 C ATOM 1291 O ASN A 85 -16.885 0.845 4.135 1.00 1.19 O ATOM 1292 CB ASN A 85 -18.218 2.235 6.865 1.00 1.40 C ATOM 1293 CG ASN A 85 -19.046 2.727 5.688 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -19.195 3.931 5.487 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -19.609 1.809 4.917 1.00 1.50 N ATOM 0 H ASN A 85 -16.163 -0.091 7.835 1.00 1.19 H new ATOM 0 HA ASN A 85 -17.783 0.195 6.364 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -18.888 1.867 7.642 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -17.669 3.075 7.290 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -20.188 2.092 4.127 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -19.463 0.819 5.114 1.00 1.50 H new ATOM 1302 N LYS A 86 -15.581 2.341 5.156 1.00 1.14 N ATOM 1303 CA LYS A 86 -14.860 2.689 3.954 1.00 1.10 C ATOM 1304 C LYS A 86 -13.508 3.241 4.308 1.00 1.02 C ATOM 1305 O LYS A 86 -13.299 3.761 5.402 1.00 1.04 O ATOM 1306 CB LYS A 86 -15.617 3.695 3.120 1.00 1.19 C ATOM 1307 CG LYS A 86 -16.096 4.879 3.916 1.00 1.28 C ATOM 1308 CD LYS A 86 -17.349 5.479 3.320 1.00 1.38 C ATOM 1309 CE LYS A 86 -17.534 6.928 3.740 1.00 1.44 C ATOM 1310 NZ LYS A 86 -18.842 7.473 3.291 1.00 1.58 N ATOM 0 H LYS A 86 -15.287 2.856 5.986 1.00 1.14 H new ATOM 0 HA LYS A 86 -14.745 1.780 3.363 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -14.975 4.044 2.311 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -16.474 3.204 2.658 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -16.292 4.572 4.944 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -15.312 5.635 3.953 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -17.300 5.419 2.233 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -18.216 4.896 3.632 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -17.463 7.003 4.825 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -16.727 7.532 3.325 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -18.929 8.463 3.597 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -18.900 7.425 2.254 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -19.613 6.913 3.707 1.00 1.58 H new ATOM 1324 N VAL A 87 -12.605 3.131 3.374 1.00 0.95 N ATOM 1325 CA VAL A 87 -11.247 3.597 3.568 1.00 0.87 C ATOM 1326 C VAL A 87 -10.757 4.382 2.359 1.00 0.88 C ATOM 1327 O VAL A 87 -10.923 3.955 1.219 1.00 0.91 O ATOM 1328 CB VAL A 87 -10.311 2.402 3.855 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -10.455 1.338 2.783 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -8.861 2.849 3.978 1.00 0.68 C ATOM 0 H VAL A 87 -12.781 2.719 2.458 1.00 0.95 H new ATOM 0 HA VAL A 87 -11.236 4.268 4.427 1.00 0.87 H new ATOM 0 HB VAL A 87 -10.608 1.971 4.811 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -9.787 0.506 3.005 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.485 0.981 2.761 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.197 1.762 1.813 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.229 1.984 4.180 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -8.545 3.320 3.047 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -8.769 3.564 4.795 1.00 0.68 H new ATOM 1340 N ALA A 88 -10.183 5.545 2.614 1.00 0.87 N ATOM 1341 CA ALA A 88 -9.662 6.377 1.547 1.00 0.89 C ATOM 1342 C ALA A 88 -8.191 6.087 1.351 1.00 0.80 C ATOM 1343 O ALA A 88 -7.356 6.438 2.181 1.00 0.76 O ATOM 1344 CB ALA A 88 -9.880 7.846 1.838 1.00 0.96 C ATOM 0 H ALA A 88 -10.067 5.933 3.550 1.00 0.87 H new ATOM 0 HA ALA A 88 -10.201 6.141 0.630 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -9.478 8.443 1.019 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -10.947 8.042 1.940 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -9.372 8.113 2.765 1.00 0.96 H new ATOM 1350 N ILE A 89 -7.881 5.441 0.255 1.00 0.79 N ATOM 1351 CA ILE A 89 -6.509 5.073 -0.044 1.00 0.72 C ATOM 1352 C ILE A 89 -5.911 5.983 -1.107 1.00 0.78 C ATOM 1353 O ILE A 89 -6.267 5.900 -2.280 1.00 0.86 O ATOM 1354 CB ILE A 89 -6.418 3.610 -0.514 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -7.213 2.697 0.429 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -4.974 3.183 -0.597 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -6.577 1.345 0.706 1.00 0.60 C ATOM 0 H ILE A 89 -8.559 5.156 -0.451 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.939 5.187 0.878 1.00 0.72 H new ATOM 0 HB ILE A 89 -6.856 3.527 -1.509 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -7.355 3.215 1.377 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -8.203 2.535 0.003 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -4.920 2.147 -0.930 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -4.446 3.820 -1.306 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -4.511 3.273 0.386 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -7.214 0.775 1.382 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -6.461 0.799 -0.230 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -5.599 1.490 1.165 1.00 0.60 H new ATOM 1369 N SER A 90 -5.009 6.849 -0.692 1.00 0.75 N ATOM 1370 CA SER A 90 -4.363 7.775 -1.604 1.00 0.81 C ATOM 1371 C SER A 90 -3.304 7.046 -2.423 1.00 0.82 C ATOM 1372 O SER A 90 -2.285 6.599 -1.891 1.00 0.77 O ATOM 1373 CB SER A 90 -3.752 8.925 -0.808 1.00 0.79 C ATOM 1374 OG SER A 90 -4.598 9.277 0.277 1.00 0.82 O ATOM 0 H SER A 90 -4.704 6.932 0.278 1.00 0.75 H new ATOM 0 HA SER A 90 -5.098 8.185 -2.297 1.00 0.81 H new ATOM 0 HB2 SER A 90 -2.770 8.636 -0.434 1.00 0.79 H new ATOM 0 HB3 SER A 90 -3.604 9.788 -1.458 1.00 0.79 H new ATOM 0 HG SER A 90 -4.459 10.219 0.508 1.00 0.82 H new ATOM 1380 N THR A 91 -3.564 6.915 -3.714 1.00 0.91 N ATOM 1381 CA THR A 91 -2.664 6.221 -4.611 1.00 0.95 C ATOM 1382 C THR A 91 -1.834 7.190 -5.447 1.00 1.04 C ATOM 1383 O THR A 91 -2.108 8.391 -5.486 1.00 1.09 O ATOM 1384 CB THR A 91 -3.449 5.289 -5.551 1.00 1.02 C ATOM 1385 OG1 THR A 91 -4.673 5.916 -5.962 1.00 1.06 O ATOM 1386 CG2 THR A 91 -3.765 3.969 -4.870 1.00 0.97 C ATOM 0 H THR A 91 -4.401 7.286 -4.164 1.00 0.91 H new ATOM 0 HA THR A 91 -1.987 5.635 -3.990 1.00 0.95 H new ATOM 0 HB THR A 91 -2.827 5.093 -6.424 1.00 1.02 H new ATOM 0 HG1 THR A 91 -5.163 5.315 -6.561 1.00 1.06 H new ATOM 0 HG21 THR A 91 -4.320 3.329 -5.556 1.00 0.97 H new ATOM 0 HG22 THR A 91 -2.836 3.475 -4.585 1.00 0.97 H new ATOM 0 HG23 THR A 91 -4.366 4.154 -3.980 1.00 0.97 H new ATOM 1394 N THR A 92 -0.818 6.647 -6.102 1.00 1.10 N ATOM 1395 CA THR A 92 0.076 7.405 -6.957 1.00 1.19 C ATOM 1396 C THR A 92 0.940 6.414 -7.741 1.00 1.24 C ATOM 1397 O THR A 92 1.144 5.294 -7.279 1.00 1.20 O ATOM 1398 CB THR A 92 0.952 8.382 -6.121 1.00 1.16 C ATOM 1399 OG1 THR A 92 1.910 9.052 -6.947 1.00 1.24 O ATOM 1400 CG2 THR A 92 1.674 7.657 -4.997 1.00 1.08 C ATOM 0 H THR A 92 -0.591 5.654 -6.052 1.00 1.10 H new ATOM 0 HA THR A 92 -0.501 8.017 -7.651 1.00 1.19 H new ATOM 0 HB THR A 92 0.278 9.120 -5.686 1.00 1.16 H new ATOM 0 HG1 THR A 92 2.446 9.661 -6.398 1.00 1.24 H new ATOM 0 HG21 THR A 92 2.277 8.369 -4.433 1.00 1.08 H new ATOM 0 HG22 THR A 92 0.943 7.195 -4.334 1.00 1.08 H new ATOM 0 HG23 THR A 92 2.321 6.887 -5.417 1.00 1.08 H new ATOM 1408 N PRO A 93 1.400 6.768 -8.955 1.00 1.35 N ATOM 1409 CA PRO A 93 2.232 5.876 -9.779 1.00 1.42 C ATOM 1410 C PRO A 93 3.440 5.298 -9.047 1.00 1.38 C ATOM 1411 O PRO A 93 4.021 5.931 -8.163 1.00 1.33 O ATOM 1412 CB PRO A 93 2.724 6.788 -10.894 1.00 1.52 C ATOM 1413 CG PRO A 93 1.658 7.816 -11.032 1.00 1.52 C ATOM 1414 CD PRO A 93 1.118 8.042 -9.647 1.00 1.42 C ATOM 0 HA PRO A 93 1.655 5.009 -10.101 1.00 1.42 H new ATOM 0 HB2 PRO A 93 3.683 7.242 -10.642 1.00 1.52 H new ATOM 0 HB3 PRO A 93 2.867 6.237 -11.824 1.00 1.52 H new ATOM 0 HG2 PRO A 93 2.058 8.740 -11.450 1.00 1.52 H new ATOM 0 HG3 PRO A 93 0.872 7.475 -11.706 1.00 1.52 H new ATOM 0 HD2 PRO A 93 1.609 8.882 -9.157 1.00 1.42 H new ATOM 0 HD3 PRO A 93 0.051 8.262 -9.663 1.00 1.42 H new ATOM 1422 N LEU A 94 3.826 4.102 -9.448 1.00 1.42 N ATOM 1423 CA LEU A 94 4.979 3.432 -8.871 1.00 1.41 C ATOM 1424 C LEU A 94 6.136 3.532 -9.853 1.00 1.50 C ATOM 1425 O LEU A 94 6.423 2.604 -10.612 1.00 1.53 O ATOM 1426 CB LEU A 94 4.673 1.963 -8.534 1.00 1.39 C ATOM 1427 CG LEU A 94 5.902 1.069 -8.280 1.00 1.43 C ATOM 1428 CD1 LEU A 94 6.610 1.463 -6.997 1.00 1.38 C ATOM 1429 CD2 LEU A 94 5.499 -0.398 -8.234 1.00 1.46 C ATOM 0 H LEU A 94 3.354 3.569 -10.178 1.00 1.42 H new ATOM 0 HA LEU A 94 5.243 3.920 -7.933 1.00 1.41 H new ATOM 0 HB2 LEU A 94 4.038 1.937 -7.649 1.00 1.39 H new ATOM 0 HB3 LEU A 94 4.096 1.533 -9.353 1.00 1.39 H new ATOM 0 HG LEU A 94 6.596 1.213 -9.108 1.00 1.43 H new ATOM 0 HD11 LEU A 94 7.473 0.815 -6.844 1.00 1.38 H new ATOM 0 HD12 LEU A 94 6.942 2.499 -7.068 1.00 1.38 H new ATOM 0 HD13 LEU A 94 5.924 1.359 -6.156 1.00 1.38 H new ATOM 0 HD21 LEU A 94 6.381 -1.012 -8.054 1.00 1.46 H new ATOM 0 HD22 LEU A 94 4.779 -0.552 -7.430 1.00 1.46 H new ATOM 0 HD23 LEU A 94 5.048 -0.681 -9.185 1.00 1.46 H new ATOM 1441 N GLU A 95 6.756 4.692 -9.873 1.00 1.54 N ATOM 1442 CA GLU A 95 7.879 4.927 -10.750 1.00 1.63 C ATOM 1443 C GLU A 95 9.163 4.796 -9.959 1.00 1.62 C ATOM 1444 O GLU A 95 9.340 5.444 -8.926 1.00 1.54 O ATOM 1445 CB GLU A 95 7.786 6.306 -11.385 1.00 1.61 C ATOM 1446 CG GLU A 95 6.445 6.580 -12.055 1.00 1.66 C ATOM 1447 CD GLU A 95 6.269 5.769 -13.318 1.00 1.76 C ATOM 1448 OE1 GLU A 95 6.811 6.172 -14.366 1.00 1.92 O ATOM 1449 OE2 GLU A 95 5.597 4.719 -13.271 1.00 1.89 O ATOM 0 H GLU A 95 6.499 5.488 -9.290 1.00 1.54 H new ATOM 0 HA GLU A 95 7.868 4.188 -11.551 1.00 1.63 H new ATOM 0 HB2 GLU A 95 7.961 7.062 -10.619 1.00 1.61 H new ATOM 0 HB3 GLU A 95 8.580 6.411 -12.124 1.00 1.61 H new ATOM 0 HG2 GLU A 95 5.638 6.349 -11.360 1.00 1.66 H new ATOM 0 HG3 GLU A 95 6.368 7.641 -12.291 1.00 1.66 H new ATOM 1612 N ILE B 106 3.458 -9.748 2.804 1.00 0.89 N ATOM 1613 CA ILE B 106 2.215 -9.746 2.054 1.00 0.86 C ATOM 1614 C ILE B 106 1.025 -10.047 2.960 1.00 0.77 C ATOM 1615 O ILE B 106 1.060 -10.993 3.751 1.00 0.81 O ATOM 1616 CB ILE B 106 2.272 -10.806 0.939 1.00 1.01 C ATOM 1617 CG1 ILE B 106 3.459 -10.552 0.010 1.00 1.40 C ATOM 1618 CG2 ILE B 106 0.969 -10.843 0.149 1.00 1.68 C ATOM 1619 CD1 ILE B 106 3.868 -11.764 -0.794 1.00 1.61 C ATOM 0 HA ILE B 106 2.088 -8.753 1.622 1.00 0.86 H new ATOM 0 HB ILE B 106 2.407 -11.780 1.410 1.00 1.01 H new ATOM 0 HG12 ILE B 106 3.208 -9.741 -0.673 1.00 1.40 H new ATOM 0 HG13 ILE B 106 4.309 -10.217 0.604 1.00 1.40 H new ATOM 0 HG21 ILE B 106 1.038 -11.601 -0.632 1.00 1.68 H new ATOM 0 HG22 ILE B 106 0.144 -11.086 0.819 1.00 1.68 H new ATOM 0 HG23 ILE B 106 0.792 -9.869 -0.306 1.00 1.68 H new ATOM 0 HD11 ILE B 106 4.716 -11.509 -1.430 1.00 1.61 H new ATOM 0 HD12 ILE B 106 4.151 -12.571 -0.118 1.00 1.61 H new ATOM 0 HD13 ILE B 106 3.033 -12.088 -1.415 1.00 1.61 H new ATOM 1631 N THR B 107 -0.014 -9.232 2.861 1.00 0.68 N ATOM 1632 CA THR B 107 -1.218 -9.430 3.655 1.00 0.63 C ATOM 1633 C THR B 107 -2.444 -8.880 2.926 1.00 0.57 C ATOM 1634 O THR B 107 -2.447 -7.734 2.471 1.00 0.56 O ATOM 1635 CB THR B 107 -1.105 -8.754 5.045 1.00 0.64 C ATOM 1636 OG1 THR B 107 0.015 -9.284 5.768 1.00 0.80 O ATOM 1637 CG2 THR B 107 -2.373 -8.962 5.862 1.00 0.62 C ATOM 0 H THR B 107 -0.048 -8.425 2.237 1.00 0.68 H new ATOM 0 HA THR B 107 -1.331 -10.504 3.800 1.00 0.63 H new ATOM 0 HB THR B 107 -0.963 -7.686 4.882 1.00 0.64 H new ATOM 0 HG1 THR B 107 0.076 -8.847 6.643 1.00 0.80 H new ATOM 0 HG21 THR B 107 -2.265 -8.477 6.832 1.00 0.62 H new ATOM 0 HG22 THR B 107 -3.222 -8.529 5.333 1.00 0.62 H new ATOM 0 HG23 THR B 107 -2.542 -10.029 6.007 1.00 0.62 H new ATOM 1645 N LYS B 108 -3.462 -9.714 2.772 1.00 0.65 N ATOM 1646 CA LYS B 108 -4.698 -9.287 2.142 1.00 0.68 C ATOM 1647 C LYS B 108 -5.510 -8.531 3.178 1.00 0.58 C ATOM 1648 O LYS B 108 -5.525 -8.914 4.349 1.00 0.68 O ATOM 1649 CB LYS B 108 -5.488 -10.485 1.607 1.00 0.91 C ATOM 1650 CG LYS B 108 -4.790 -11.219 0.473 1.00 1.20 C ATOM 1651 CD LYS B 108 -5.667 -12.318 -0.104 1.00 1.70 C ATOM 1652 CE LYS B 108 -4.929 -13.123 -1.163 1.00 2.51 C ATOM 1653 NZ LYS B 108 -4.739 -12.359 -2.426 1.00 3.39 N ATOM 0 H LYS B 108 -3.455 -10.688 3.075 1.00 0.65 H new ATOM 0 HA LYS B 108 -4.477 -8.645 1.290 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -5.669 -11.184 2.424 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -6.462 -10.141 1.260 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -4.528 -10.511 -0.313 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -3.857 -11.650 0.837 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -5.994 -12.982 0.696 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -6.564 -11.878 -0.540 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -3.956 -13.425 -0.774 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -5.485 -14.036 -1.374 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -4.090 -12.878 -3.052 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -5.657 -12.240 -2.901 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -4.337 -11.425 -2.209 1.00 3.39 H new ATOM 1667 N VAL B 109 -6.181 -7.473 2.775 1.00 0.51 N ATOM 1668 CA VAL B 109 -6.933 -6.680 3.715 1.00 0.55 C ATOM 1669 C VAL B 109 -8.347 -6.443 3.204 1.00 0.76 C ATOM 1670 O VAL B 109 -8.524 -6.304 1.974 1.00 1.40 O ATOM 1671 CB VAL B 109 -6.201 -5.346 3.986 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -6.019 -4.563 2.694 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.923 -4.521 5.039 1.00 1.21 C ATOM 1674 OXT VAL B 109 -9.279 -6.442 4.031 1.00 1.18 O ATOM 0 H VAL B 109 -6.219 -7.146 1.809 1.00 0.51 H new ATOM 0 HA VAL B 109 -7.010 -7.223 4.657 1.00 0.55 H new ATOM 0 HB VAL B 109 -5.212 -5.578 4.382 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -5.502 -3.627 2.906 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -5.430 -5.152 1.991 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -6.995 -4.348 2.258 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -6.382 -3.590 5.206 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -7.933 -4.297 4.696 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -6.972 -5.084 5.971 1.00 1.21 H new