USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 823 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 34 GLN : amide:sc= 0.18 K(o=0.66,f=-0.4) USER MOD Set 1.2: A 41 SER OG : rot 168:sc= 0.481 USER MOD Single : A 1 GLY N :NH3+ -179:sc= -0.079 (180deg=-0.105) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0615 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 11 SER OG : rot 173:sc= 0.695 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.34 F(o=-2.5,f=-1.3) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.552 F(o=-1.6,f=-0.55) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000383) USER MOD Single : A 33 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.37) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.755 K(o=0.76,f=-1.2) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 1.02 (180deg=0.955) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0231) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0.381 (180deg=0.318) USER MOD Single : A 53 SER OG : rot -52:sc= 0.372 USER MOD Single : A 54 ASN : amide:sc= -0.0288 X(o=-0.029,f=-0.52) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00152 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 140:sc= 0.952 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 74 MET CE :methyl -170:sc= -0.672 (180deg=-1.19) USER MOD Single : A 75 HIS : no HE2:sc= -3.65 K(o=-3.7,f=-9!) USER MOD Single : A 76 SER OG : rot -86:sc= -0.454 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 79 HIS : no HE2:sc= -0.0452 K(o=-0.045,f=-2) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= -0.0088 (180deg=-0.125) USER MOD Single : A 86 GLN : amide:sc= 0.319 X(o=0.32,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0303 K(o=-0.03,f=-2.7!) USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= 0.541 (180deg=0.312) USER MOD Single : A 92 THR OG1 : rot -110:sc= -0.632 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc=0.000475 X(o=0.00047,f=-0.18) USER MOD Single : A 99 GLN : amide:sc= 0.527 K(o=0.53,f=-0.091) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.783 12.344 5.220 1.00 10.23 N ATOM 2 CA GLY A 1 -7.596 12.817 6.347 1.00 10.66 C ATOM 3 C GLY A 1 -8.616 13.801 5.821 1.00 10.45 C ATOM 4 O GLY A 1 -8.953 13.742 4.641 1.00 10.41 O ATOM 0 H1 GLY A 1 -6.086 11.652 5.561 1.00 10.23 H new ATOM 0 H2 GLY A 1 -7.399 11.895 4.512 1.00 10.23 H new ATOM 0 H3 GLY A 1 -6.288 13.150 4.787 1.00 10.23 H new ATOM 0 HA2 GLY A 1 -8.094 11.978 6.833 1.00 10.66 H new ATOM 0 HA3 GLY A 1 -6.964 13.291 7.098 1.00 10.66 H new ATOM 10 N SER A 2 -9.095 14.718 6.663 1.00 10.75 N ATOM 11 CA SER A 2 -9.937 15.813 6.209 1.00 10.94 C ATOM 12 C SER A 2 -9.739 17.008 7.136 1.00 11.38 C ATOM 13 O SER A 2 -10.192 16.956 8.278 1.00 12.17 O ATOM 14 CB SER A 2 -11.404 15.368 6.243 1.00 11.38 C ATOM 15 OG SER A 2 -11.594 14.190 5.488 1.00 11.25 O ATOM 0 H SER A 2 -8.910 14.719 7.666 1.00 10.75 H new ATOM 0 HA SER A 2 -9.669 16.094 5.190 1.00 10.94 H new ATOM 0 HB2 SER A 2 -11.712 15.196 7.275 1.00 11.38 H new ATOM 0 HB3 SER A 2 -12.038 16.163 5.849 1.00 11.38 H new ATOM 0 HG SER A 2 -12.537 13.925 5.526 1.00 11.25 H new ATOM 21 N LYS A 3 -9.069 18.076 6.691 1.00 11.14 N ATOM 22 CA LYS A 3 -9.067 19.342 7.421 1.00 11.65 C ATOM 23 C LYS A 3 -8.687 20.489 6.486 1.00 11.25 C ATOM 24 O LYS A 3 -7.626 20.446 5.878 1.00 10.77 O ATOM 25 CB LYS A 3 -8.122 19.269 8.634 1.00 12.39 C ATOM 26 CG LYS A 3 -6.626 19.209 8.287 1.00 12.46 C ATOM 27 CD LYS A 3 -5.866 18.464 9.388 1.00 13.51 C ATOM 28 CE LYS A 3 -5.930 16.961 9.100 1.00 13.63 C ATOM 29 NZ LYS A 3 -4.826 16.537 8.211 1.00 14.32 N ATOM 0 H LYS A 3 -8.523 18.086 5.830 1.00 11.14 H new ATOM 0 HA LYS A 3 -10.072 19.532 7.798 1.00 11.65 H new ATOM 0 HB2 LYS A 3 -8.299 20.139 9.266 1.00 12.39 H new ATOM 0 HB3 LYS A 3 -8.379 18.389 9.224 1.00 12.39 H new ATOM 0 HG2 LYS A 3 -6.485 18.705 7.331 1.00 12.46 H new ATOM 0 HG3 LYS A 3 -6.228 20.218 8.177 1.00 12.46 H new ATOM 0 HD2 LYS A 3 -4.829 18.798 9.423 1.00 13.51 H new ATOM 0 HD3 LYS A 3 -6.304 18.681 10.362 1.00 13.51 H new ATOM 0 HE2 LYS A 3 -5.879 16.406 10.037 1.00 13.63 H new ATOM 0 HE3 LYS A 3 -6.886 16.718 8.637 1.00 13.63 H new ATOM 0 HZ1 LYS A 3 -4.896 15.515 8.034 1.00 14.32 H new ATOM 0 HZ2 LYS A 3 -4.891 17.050 7.309 1.00 14.32 H new ATOM 0 HZ3 LYS A 3 -3.914 16.748 8.665 1.00 14.32 H new ATOM 43 N GLY A 4 -9.512 21.535 6.412 1.00 11.74 N ATOM 44 CA GLY A 4 -9.193 22.711 5.615 1.00 11.64 C ATOM 45 C GLY A 4 -9.216 22.404 4.126 1.00 10.88 C ATOM 46 O GLY A 4 -9.937 21.511 3.686 1.00 10.77 O ATOM 0 H GLY A 4 -10.408 21.587 6.897 1.00 11.74 H new ATOM 0 HA2 GLY A 4 -9.908 23.504 5.834 1.00 11.64 H new ATOM 0 HA3 GLY A 4 -8.208 23.084 5.895 1.00 11.64 H new ATOM 50 N VAL A 5 -8.462 23.183 3.348 1.00 10.62 N ATOM 51 CA VAL A 5 -8.220 22.879 1.955 1.00 10.01 C ATOM 52 C VAL A 5 -7.104 21.844 1.865 1.00 8.34 C ATOM 53 O VAL A 5 -6.685 21.295 2.879 1.00 7.77 O ATOM 54 CB VAL A 5 -7.855 24.157 1.189 1.00 10.70 C ATOM 55 CG1 VAL A 5 -9.001 25.170 1.267 1.00 12.36 C ATOM 56 CG2 VAL A 5 -6.560 24.831 1.666 1.00 10.47 C ATOM 0 H VAL A 5 -8.008 24.037 3.673 1.00 10.62 H new ATOM 0 HA VAL A 5 -9.122 22.469 1.500 1.00 10.01 H new ATOM 0 HB VAL A 5 -7.684 23.838 0.161 1.00 10.70 H new ATOM 0 HG11 VAL A 5 -8.728 26.072 0.719 1.00 12.36 H new ATOM 0 HG12 VAL A 5 -9.900 24.737 0.828 1.00 12.36 H new ATOM 0 HG13 VAL A 5 -9.192 25.423 2.310 1.00 12.36 H new ATOM 0 HG21 VAL A 5 -6.376 25.726 1.072 1.00 10.47 H new ATOM 0 HG22 VAL A 5 -6.658 25.106 2.716 1.00 10.47 H new ATOM 0 HG23 VAL A 5 -5.725 24.140 1.549 1.00 10.47 H new ATOM 66 N GLU A 6 -6.571 21.583 0.673 1.00 7.77 N ATOM 67 CA GLU A 6 -5.465 20.657 0.581 1.00 6.27 C ATOM 68 C GLU A 6 -4.145 21.306 0.979 1.00 5.62 C ATOM 69 O GLU A 6 -3.695 22.276 0.379 1.00 6.12 O ATOM 70 CB GLU A 6 -5.417 19.999 -0.800 1.00 6.43 C ATOM 71 CG GLU A 6 -5.270 20.940 -2.005 1.00 7.49 C ATOM 72 CD GLU A 6 -5.096 20.139 -3.297 1.00 8.10 C ATOM 73 OE1 GLU A 6 -4.161 19.303 -3.333 1.00 8.02 O ATOM 74 OE2 GLU A 6 -5.900 20.358 -4.227 1.00 9.11 O ATOM 0 H GLU A 6 -6.880 21.988 -0.210 1.00 7.77 H new ATOM 0 HA GLU A 6 -5.631 19.859 1.305 1.00 6.27 H new ATOM 0 HB2 GLU A 6 -4.585 19.295 -0.813 1.00 6.43 H new ATOM 0 HB3 GLU A 6 -6.329 19.416 -0.932 1.00 6.43 H new ATOM 0 HG2 GLU A 6 -6.149 21.579 -2.083 1.00 7.49 H new ATOM 0 HG3 GLU A 6 -4.411 21.595 -1.859 1.00 7.49 H new ATOM 81 N LEU A 7 -3.507 20.745 2.011 1.00 4.87 N ATOM 82 CA LEU A 7 -2.223 21.214 2.505 1.00 4.65 C ATOM 83 C LEU A 7 -1.141 20.203 2.131 1.00 3.36 C ATOM 84 O LEU A 7 -0.215 19.981 2.906 1.00 3.80 O ATOM 85 CB LEU A 7 -2.246 21.382 4.035 1.00 5.95 C ATOM 86 CG LEU A 7 -3.463 22.060 4.680 1.00 7.22 C ATOM 87 CD1 LEU A 7 -4.051 23.222 3.879 1.00 7.99 C ATOM 88 CD2 LEU A 7 -4.520 21.039 5.101 1.00 7.38 C ATOM 0 H LEU A 7 -3.876 19.946 2.527 1.00 4.87 H new ATOM 0 HA LEU A 7 -2.013 22.183 2.052 1.00 4.65 H new ATOM 0 HB2 LEU A 7 -2.145 20.392 4.479 1.00 5.95 H new ATOM 0 HB3 LEU A 7 -1.361 21.951 4.319 1.00 5.95 H new ATOM 0 HG LEU A 7 -3.080 22.533 5.584 1.00 7.22 H new ATOM 0 HD11 LEU A 7 -4.906 23.637 4.414 1.00 7.99 H new ATOM 0 HD12 LEU A 7 -3.294 23.995 3.750 1.00 7.99 H new ATOM 0 HD13 LEU A 7 -4.374 22.864 2.901 1.00 7.99 H new ATOM 0 HD21 LEU A 7 -5.366 21.557 5.553 1.00 7.38 H new ATOM 0 HD22 LEU A 7 -4.859 20.485 4.226 1.00 7.38 H new ATOM 0 HD23 LEU A 7 -4.089 20.347 5.824 1.00 7.38 H new ATOM 100 N ARG A 8 -1.290 19.521 0.990 1.00 2.34 N ATOM 101 CA ARG A 8 -0.520 18.334 0.611 1.00 1.76 C ATOM 102 C ARG A 8 -0.971 17.111 1.412 1.00 1.49 C ATOM 103 O ARG A 8 -1.441 16.139 0.828 1.00 1.32 O ATOM 104 CB ARG A 8 1.002 18.618 0.600 1.00 2.60 C ATOM 105 CG ARG A 8 1.860 18.031 1.737 1.00 3.98 C ATOM 106 CD ARG A 8 3.196 18.777 1.816 1.00 5.12 C ATOM 107 NE ARG A 8 4.320 17.883 2.123 1.00 6.75 N ATOM 108 CZ ARG A 8 5.582 18.294 2.293 1.00 8.23 C ATOM 109 NH1 ARG A 8 5.856 19.598 2.343 1.00 8.36 N ATOM 110 NH2 ARG A 8 6.569 17.404 2.402 1.00 9.81 N ATOM 0 H ARG A 8 -1.973 19.790 0.282 1.00 2.34 H new ATOM 0 HA ARG A 8 -0.737 18.074 -0.425 1.00 1.76 H new ATOM 0 HB2 ARG A 8 1.403 18.249 -0.344 1.00 2.60 H new ATOM 0 HB3 ARG A 8 1.139 19.699 0.604 1.00 2.60 H new ATOM 0 HG2 ARG A 8 1.330 18.114 2.686 1.00 3.98 H new ATOM 0 HG3 ARG A 8 2.035 16.970 1.562 1.00 3.98 H new ATOM 0 HD2 ARG A 8 3.384 19.280 0.868 1.00 5.12 H new ATOM 0 HD3 ARG A 8 3.132 19.551 2.581 1.00 5.12 H new ATOM 0 HE ARG A 8 4.126 16.886 2.212 1.00 6.75 H new ATOM 0 HH11 ARG A 8 5.104 20.281 2.252 1.00 8.36 H new ATOM 0 HH12 ARG A 8 6.818 19.912 2.473 1.00 8.36 H new ATOM 0 HH21 ARG A 8 6.363 16.406 2.356 1.00 9.81 H new ATOM 0 HH22 ARG A 8 7.530 17.721 2.531 1.00 9.81 H new ATOM 124 N ASN A 9 -0.898 17.167 2.743 1.00 1.52 N ATOM 125 CA ASN A 9 -1.247 16.065 3.629 1.00 1.44 C ATOM 126 C ASN A 9 -2.688 15.635 3.457 1.00 1.20 C ATOM 127 O ASN A 9 -3.011 14.472 3.675 1.00 1.14 O ATOM 128 CB ASN A 9 -1.032 16.469 5.094 1.00 1.69 C ATOM 129 CG ASN A 9 0.401 16.204 5.525 1.00 2.06 C ATOM 130 OD1 ASN A 9 1.331 16.789 4.984 1.00 2.70 O ATOM 131 ND2 ASN A 9 0.611 15.318 6.489 1.00 2.37 N ATOM 0 H ASN A 9 -0.587 18.000 3.242 1.00 1.52 H new ATOM 0 HA ASN A 9 -0.598 15.230 3.365 1.00 1.44 H new ATOM 0 HB2 ASN A 9 -1.265 17.526 5.222 1.00 1.69 H new ATOM 0 HB3 ASN A 9 -1.717 15.912 5.733 1.00 1.69 H new ATOM 0 HD21 ASN A 9 1.562 15.112 6.794 1.00 2.37 H new ATOM 0 HD22 ASN A 9 -0.179 14.843 6.926 1.00 2.37 H new ATOM 138 N ASP A 10 -3.577 16.573 3.155 1.00 1.14 N ATOM 139 CA ASP A 10 -4.979 16.222 3.054 1.00 1.03 C ATOM 140 C ASP A 10 -5.232 15.407 1.791 1.00 0.81 C ATOM 141 O ASP A 10 -5.950 14.418 1.847 1.00 0.78 O ATOM 142 CB ASP A 10 -5.843 17.471 3.148 1.00 1.22 C ATOM 143 CG ASP A 10 -7.242 17.086 3.616 1.00 2.01 C ATOM 144 OD1 ASP A 10 -7.346 16.758 4.825 1.00 3.07 O ATOM 145 OD2 ASP A 10 -8.171 17.110 2.786 1.00 2.46 O ATOM 0 H ASP A 10 -3.357 17.554 2.981 1.00 1.14 H new ATOM 0 HA ASP A 10 -5.261 15.586 3.893 1.00 1.03 H new ATOM 0 HB2 ASP A 10 -5.398 18.183 3.844 1.00 1.22 H new ATOM 0 HB3 ASP A 10 -5.895 17.964 2.177 1.00 1.22 H new ATOM 150 N SER A 11 -4.585 15.759 0.677 1.00 0.80 N ATOM 151 CA SER A 11 -4.691 15.027 -0.579 1.00 0.72 C ATOM 152 C SER A 11 -4.041 13.648 -0.472 1.00 0.58 C ATOM 153 O SER A 11 -4.672 12.628 -0.751 1.00 0.52 O ATOM 154 CB SER A 11 -4.045 15.860 -1.691 1.00 0.93 C ATOM 155 OG SER A 11 -4.760 17.070 -1.772 1.00 1.53 O ATOM 0 H SER A 11 -3.968 16.569 0.626 1.00 0.80 H new ATOM 0 HA SER A 11 -5.743 14.863 -0.815 1.00 0.72 H new ATOM 0 HB2 SER A 11 -2.994 16.048 -1.470 1.00 0.93 H new ATOM 0 HB3 SER A 11 -4.081 15.327 -2.641 1.00 0.93 H new ATOM 0 HG SER A 11 -4.304 17.679 -2.389 1.00 1.53 H new ATOM 161 N GLU A 12 -2.766 13.599 -0.079 1.00 0.67 N ATOM 162 CA GLU A 12 -2.021 12.343 -0.024 1.00 0.68 C ATOM 163 C GLU A 12 -2.612 11.450 1.082 1.00 0.61 C ATOM 164 O GLU A 12 -2.675 10.228 0.962 1.00 0.62 O ATOM 165 CB GLU A 12 -0.509 12.638 0.105 1.00 0.95 C ATOM 166 CG GLU A 12 0.080 12.766 1.522 1.00 1.90 C ATOM 167 CD GLU A 12 0.705 11.448 2.005 1.00 2.96 C ATOM 168 OE1 GLU A 12 -0.040 10.585 2.512 1.00 4.46 O ATOM 169 OE2 GLU A 12 1.926 11.252 1.783 1.00 3.25 O ATOM 0 H GLU A 12 -2.229 14.418 0.206 1.00 0.67 H new ATOM 0 HA GLU A 12 -2.123 11.774 -0.948 1.00 0.68 H new ATOM 0 HB2 GLU A 12 0.032 11.845 -0.412 1.00 0.95 H new ATOM 0 HB3 GLU A 12 -0.302 13.566 -0.429 1.00 0.95 H new ATOM 0 HG2 GLU A 12 0.836 13.551 1.531 1.00 1.90 H new ATOM 0 HG3 GLU A 12 -0.704 13.071 2.215 1.00 1.90 H new ATOM 176 N GLY A 13 -3.146 12.078 2.131 1.00 0.66 N ATOM 177 CA GLY A 13 -3.862 11.397 3.190 1.00 0.71 C ATOM 178 C GLY A 13 -5.214 10.875 2.707 1.00 0.59 C ATOM 179 O GLY A 13 -5.618 9.782 3.083 1.00 0.61 O ATOM 0 H GLY A 13 -3.088 13.088 2.263 1.00 0.66 H new ATOM 0 HA2 GLY A 13 -3.262 10.566 3.561 1.00 0.71 H new ATOM 0 HA3 GLY A 13 -4.012 12.080 4.026 1.00 0.71 H new ATOM 183 N PHE A 14 -5.944 11.641 1.896 1.00 0.60 N ATOM 184 CA PHE A 14 -7.257 11.249 1.395 1.00 0.64 C ATOM 185 C PHE A 14 -7.121 9.937 0.636 1.00 0.54 C ATOM 186 O PHE A 14 -7.768 8.952 0.973 1.00 0.63 O ATOM 187 CB PHE A 14 -7.854 12.361 0.517 1.00 0.72 C ATOM 188 CG PHE A 14 -8.987 11.911 -0.390 1.00 0.98 C ATOM 189 CD1 PHE A 14 -10.269 11.674 0.138 1.00 1.51 C ATOM 190 CD2 PHE A 14 -8.752 11.716 -1.764 1.00 2.55 C ATOM 191 CE1 PHE A 14 -11.310 11.251 -0.706 1.00 1.97 C ATOM 192 CE2 PHE A 14 -9.792 11.286 -2.607 1.00 3.36 C ATOM 193 CZ PHE A 14 -11.073 11.059 -2.079 1.00 2.72 C ATOM 0 H PHE A 14 -5.637 12.556 1.567 1.00 0.60 H new ATOM 0 HA PHE A 14 -7.945 11.100 2.227 1.00 0.64 H new ATOM 0 HB2 PHE A 14 -8.219 13.160 1.163 1.00 0.72 H new ATOM 0 HB3 PHE A 14 -7.061 12.786 -0.098 1.00 0.72 H new ATOM 0 HD1 PHE A 14 -10.453 11.817 1.192 1.00 1.51 H new ATOM 0 HD2 PHE A 14 -7.769 11.897 -2.172 1.00 2.55 H new ATOM 0 HE1 PHE A 14 -12.295 11.073 -0.299 1.00 1.97 H new ATOM 0 HE2 PHE A 14 -9.606 11.131 -3.659 1.00 3.36 H new ATOM 0 HZ PHE A 14 -11.875 10.737 -2.726 1.00 2.72 H new ATOM 203 N ILE A 15 -6.253 9.897 -0.374 1.00 0.40 N ATOM 204 CA ILE A 15 -6.046 8.668 -1.131 1.00 0.39 C ATOM 205 C ILE A 15 -5.454 7.546 -0.274 1.00 0.35 C ATOM 206 O ILE A 15 -5.739 6.382 -0.543 1.00 0.39 O ATOM 207 CB ILE A 15 -5.172 8.893 -2.359 1.00 0.36 C ATOM 208 CG1 ILE A 15 -3.773 9.324 -1.903 1.00 0.30 C ATOM 209 CG2 ILE A 15 -5.828 9.864 -3.339 1.00 0.42 C ATOM 210 CD1 ILE A 15 -3.068 10.338 -2.782 1.00 0.41 C ATOM 0 H ILE A 15 -5.690 10.690 -0.682 1.00 0.40 H new ATOM 0 HA ILE A 15 -7.037 8.356 -1.462 1.00 0.39 H new ATOM 0 HB ILE A 15 -5.063 7.963 -2.917 1.00 0.36 H new ATOM 0 HG12 ILE A 15 -3.852 9.738 -0.898 1.00 0.30 H new ATOM 0 HG13 ILE A 15 -3.146 8.435 -1.834 1.00 0.30 H new ATOM 0 HG21 ILE A 15 -5.179 10.003 -4.203 1.00 0.42 H new ATOM 0 HG22 ILE A 15 -6.786 9.459 -3.666 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -5.988 10.824 -2.848 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -2.089 10.566 -2.361 1.00 0.41 H new ATOM 0 HD12 ILE A 15 -2.945 9.928 -3.784 1.00 0.41 H new ATOM 0 HD13 ILE A 15 -3.662 11.250 -2.834 1.00 0.41 H new ATOM 222 N HIS A 16 -4.614 7.858 0.725 1.00 0.30 N ATOM 223 CA HIS A 16 -4.085 6.837 1.623 1.00 0.29 C ATOM 224 C HIS A 16 -5.291 6.108 2.223 1.00 0.35 C ATOM 225 O HIS A 16 -5.446 4.895 2.105 1.00 0.33 O ATOM 226 CB HIS A 16 -3.198 7.501 2.704 1.00 0.33 C ATOM 227 CG HIS A 16 -2.763 6.663 3.894 1.00 0.32 C ATOM 228 ND1 HIS A 16 -3.575 6.015 4.790 1.00 0.46 N flip ATOM 229 CD2 HIS A 16 -1.472 6.590 4.384 1.00 0.42 C flip ATOM 230 CE1 HIS A 16 -2.769 5.528 5.803 1.00 0.44 C flip ATOM 231 NE2 HIS A 16 -1.506 5.889 5.534 1.00 0.44 N flip ATOM 0 H HIS A 16 -4.292 8.805 0.925 1.00 0.30 H new ATOM 0 HA HIS A 16 -3.451 6.120 1.102 1.00 0.29 H new ATOM 0 HB2 HIS A 16 -2.299 7.873 2.213 1.00 0.33 H new ATOM 0 HB3 HIS A 16 -3.735 8.369 3.087 1.00 0.33 H new ATOM 0 HD2 HIS A 16 -0.593 7.019 3.926 1.00 0.42 H new ATOM 0 HE1 HIS A 16 -3.099 4.958 6.659 1.00 0.44 H new ATOM 0 HE2 HIS A 16 -0.695 5.667 6.112 1.00 0.44 H new ATOM 240 N GLU A 17 -6.161 6.870 2.884 1.00 0.45 N ATOM 241 CA GLU A 17 -7.350 6.361 3.547 1.00 0.54 C ATOM 242 C GLU A 17 -8.257 5.647 2.550 1.00 0.54 C ATOM 243 O GLU A 17 -8.829 4.622 2.894 1.00 0.56 O ATOM 244 CB GLU A 17 -8.059 7.512 4.272 1.00 0.70 C ATOM 245 CG GLU A 17 -7.288 7.887 5.551 1.00 0.86 C ATOM 246 CD GLU A 17 -7.185 9.399 5.766 1.00 1.68 C ATOM 247 OE1 GLU A 17 -8.185 10.117 5.542 1.00 1.99 O ATOM 248 OE2 GLU A 17 -6.093 9.884 6.142 1.00 3.06 O ATOM 0 H GLU A 17 -6.052 7.880 2.973 1.00 0.45 H new ATOM 0 HA GLU A 17 -7.070 5.619 4.295 1.00 0.54 H new ATOM 0 HB2 GLU A 17 -8.130 8.378 3.614 1.00 0.70 H new ATOM 0 HB3 GLU A 17 -9.078 7.220 4.525 1.00 0.70 H new ATOM 0 HG2 GLU A 17 -7.782 7.436 6.412 1.00 0.86 H new ATOM 0 HG3 GLU A 17 -6.285 7.464 5.501 1.00 0.86 H new ATOM 255 N PHE A 18 -8.351 6.133 1.312 1.00 0.57 N ATOM 256 CA PHE A 18 -9.129 5.511 0.247 1.00 0.65 C ATOM 257 C PHE A 18 -8.673 4.077 0.026 1.00 0.58 C ATOM 258 O PHE A 18 -9.498 3.170 0.043 1.00 0.64 O ATOM 259 CB PHE A 18 -9.012 6.361 -1.028 1.00 0.77 C ATOM 260 CG PHE A 18 -10.159 6.237 -2.011 1.00 0.76 C ATOM 261 CD1 PHE A 18 -10.470 5.002 -2.612 1.00 1.66 C ATOM 262 CD2 PHE A 18 -10.902 7.383 -2.353 1.00 1.92 C ATOM 263 CE1 PHE A 18 -11.530 4.913 -3.531 1.00 1.96 C ATOM 264 CE2 PHE A 18 -11.954 7.297 -3.281 1.00 1.98 C ATOM 265 CZ PHE A 18 -12.271 6.060 -3.866 1.00 1.39 C ATOM 0 H PHE A 18 -7.878 6.988 1.018 1.00 0.57 H new ATOM 0 HA PHE A 18 -10.181 5.468 0.530 1.00 0.65 H new ATOM 0 HB2 PHE A 18 -8.919 7.407 -0.737 1.00 0.77 H new ATOM 0 HB3 PHE A 18 -8.089 6.089 -1.540 1.00 0.77 H new ATOM 0 HD1 PHE A 18 -9.894 4.122 -2.367 1.00 1.66 H new ATOM 0 HD2 PHE A 18 -10.662 8.333 -1.900 1.00 1.92 H new ATOM 0 HE1 PHE A 18 -11.776 3.962 -3.980 1.00 1.96 H new ATOM 0 HE2 PHE A 18 -12.517 8.180 -3.544 1.00 1.98 H new ATOM 0 HZ PHE A 18 -13.084 5.990 -4.573 1.00 1.39 H new ATOM 275 N GLY A 19 -7.369 3.849 -0.151 1.00 0.50 N ATOM 276 CA GLY A 19 -6.831 2.502 -0.277 1.00 0.56 C ATOM 277 C GLY A 19 -7.307 1.631 0.882 1.00 0.46 C ATOM 278 O GLY A 19 -7.757 0.503 0.690 1.00 0.51 O ATOM 0 H GLY A 19 -6.667 4.587 -0.210 1.00 0.50 H new ATOM 0 HA2 GLY A 19 -7.147 2.064 -1.224 1.00 0.56 H new ATOM 0 HA3 GLY A 19 -5.742 2.538 -0.290 1.00 0.56 H new ATOM 282 N HIS A 20 -7.244 2.170 2.099 1.00 0.39 N ATOM 283 CA HIS A 20 -7.677 1.451 3.283 1.00 0.38 C ATOM 284 C HIS A 20 -9.169 1.117 3.219 1.00 0.37 C ATOM 285 O HIS A 20 -9.568 0.016 3.578 1.00 0.39 O ATOM 286 CB HIS A 20 -7.317 2.279 4.525 1.00 0.56 C ATOM 287 CG HIS A 20 -7.191 1.473 5.790 1.00 0.57 C ATOM 288 ND1 HIS A 20 -8.168 0.685 6.325 1.00 0.66 N flip ATOM 289 CD2 HIS A 20 -6.091 1.431 6.627 1.00 1.61 C flip ATOM 290 CE1 HIS A 20 -7.665 0.166 7.502 1.00 0.91 C flip ATOM 291 NE2 HIS A 20 -6.414 0.646 7.672 1.00 1.79 N flip ATOM 0 H HIS A 20 -6.894 3.110 2.285 1.00 0.39 H new ATOM 0 HA HIS A 20 -7.159 0.494 3.340 1.00 0.38 H new ATOM 0 HB2 HIS A 20 -6.375 2.796 4.342 1.00 0.56 H new ATOM 0 HB3 HIS A 20 -8.079 3.045 4.670 1.00 0.56 H new ATOM 0 HD2 HIS A 20 -5.148 1.934 6.471 1.00 1.61 H new ATOM 0 HE1 HIS A 20 -8.182 -0.507 8.170 1.00 0.91 H new ATOM 0 HE2 HIS A 20 -5.808 0.445 8.468 1.00 1.79 H new ATOM 300 N ALA A 21 -10.013 2.049 2.786 1.00 0.47 N ATOM 301 CA ALA A 21 -11.441 1.808 2.678 1.00 0.60 C ATOM 302 C ALA A 21 -11.713 0.744 1.616 1.00 0.63 C ATOM 303 O ALA A 21 -12.678 -0.004 1.715 1.00 0.71 O ATOM 304 CB ALA A 21 -12.163 3.119 2.356 1.00 0.79 C ATOM 0 H ALA A 21 -9.725 2.986 2.503 1.00 0.47 H new ATOM 0 HA ALA A 21 -11.823 1.435 3.629 1.00 0.60 H new ATOM 0 HB1 ALA A 21 -13.234 2.934 2.276 1.00 0.79 H new ATOM 0 HB2 ALA A 21 -11.978 3.841 3.151 1.00 0.79 H new ATOM 0 HB3 ALA A 21 -11.792 3.516 1.411 1.00 0.79 H new ATOM 310 N VAL A 22 -10.868 0.644 0.591 1.00 0.64 N ATOM 311 CA VAL A 22 -11.059 -0.401 -0.410 1.00 0.80 C ATOM 312 C VAL A 22 -10.702 -1.768 0.176 1.00 0.70 C ATOM 313 O VAL A 22 -11.374 -2.758 -0.115 1.00 0.76 O ATOM 314 CB VAL A 22 -10.298 -0.044 -1.698 1.00 1.02 C ATOM 315 CG1 VAL A 22 -10.333 -1.173 -2.732 1.00 1.20 C ATOM 316 CG2 VAL A 22 -10.943 1.193 -2.338 1.00 1.21 C ATOM 0 H VAL A 22 -10.067 1.255 0.434 1.00 0.64 H new ATOM 0 HA VAL A 22 -12.110 -0.467 -0.693 1.00 0.80 H new ATOM 0 HB VAL A 22 -9.261 0.137 -1.416 1.00 1.02 H new ATOM 0 HG11 VAL A 22 -9.781 -0.869 -3.622 1.00 1.20 H new ATOM 0 HG12 VAL A 22 -9.876 -2.068 -2.309 1.00 1.20 H new ATOM 0 HG13 VAL A 22 -11.367 -1.387 -3.002 1.00 1.20 H new ATOM 0 HG21 VAL A 22 -10.408 1.451 -3.252 1.00 1.21 H new ATOM 0 HG22 VAL A 22 -11.985 0.978 -2.576 1.00 1.21 H new ATOM 0 HG23 VAL A 22 -10.895 2.030 -1.641 1.00 1.21 H new ATOM 326 N ASP A 23 -9.701 -1.820 1.057 1.00 0.60 N ATOM 327 CA ASP A 23 -9.367 -3.033 1.799 1.00 0.59 C ATOM 328 C ASP A 23 -10.552 -3.532 2.622 1.00 0.51 C ATOM 329 O ASP A 23 -10.659 -4.723 2.922 1.00 0.56 O ATOM 330 CB ASP A 23 -8.173 -2.766 2.724 1.00 0.61 C ATOM 331 CG ASP A 23 -7.493 -4.057 3.169 1.00 0.82 C ATOM 332 OD1 ASP A 23 -7.269 -4.931 2.309 1.00 1.83 O ATOM 333 OD2 ASP A 23 -7.187 -4.183 4.371 1.00 1.84 O ATOM 0 H ASP A 23 -9.102 -1.024 1.274 1.00 0.60 H new ATOM 0 HA ASP A 23 -9.109 -3.806 1.075 1.00 0.59 H new ATOM 0 HB2 ASP A 23 -7.449 -2.135 2.208 1.00 0.61 H new ATOM 0 HB3 ASP A 23 -8.511 -2.213 3.601 1.00 0.61 H new ATOM 338 N ASP A 24 -11.446 -2.610 2.994 1.00 0.46 N ATOM 339 CA ASP A 24 -12.600 -2.909 3.826 1.00 0.51 C ATOM 340 C ASP A 24 -13.526 -3.839 3.063 1.00 0.54 C ATOM 341 O ASP A 24 -13.832 -4.938 3.519 1.00 0.57 O ATOM 342 CB ASP A 24 -13.343 -1.635 4.237 1.00 0.68 C ATOM 343 CG ASP A 24 -14.398 -1.943 5.291 1.00 0.98 C ATOM 344 OD1 ASP A 24 -15.467 -2.465 4.901 1.00 2.00 O ATOM 345 OD2 ASP A 24 -14.118 -1.627 6.465 1.00 1.53 O ATOM 0 H ASP A 24 -11.382 -1.630 2.720 1.00 0.46 H new ATOM 0 HA ASP A 24 -12.258 -3.392 4.741 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -12.634 -0.905 4.627 1.00 0.68 H new ATOM 0 HB3 ASP A 24 -13.815 -1.186 3.363 1.00 0.68 H new ATOM 350 N TYR A 25 -13.897 -3.409 1.853 1.00 0.62 N ATOM 351 CA TYR A 25 -14.758 -4.139 0.933 1.00 0.76 C ATOM 352 C TYR A 25 -14.253 -5.563 0.762 1.00 0.77 C ATOM 353 O TYR A 25 -15.016 -6.519 0.872 1.00 0.88 O ATOM 354 CB TYR A 25 -14.813 -3.412 -0.422 1.00 0.89 C ATOM 355 CG TYR A 25 -16.222 -3.103 -0.878 1.00 1.37 C ATOM 356 CD1 TYR A 25 -17.140 -4.153 -1.061 1.00 1.29 C ATOM 357 CD2 TYR A 25 -16.623 -1.771 -1.093 1.00 2.96 C ATOM 358 CE1 TYR A 25 -18.464 -3.879 -1.442 1.00 1.57 C ATOM 359 CE2 TYR A 25 -17.939 -1.490 -1.492 1.00 3.75 C ATOM 360 CZ TYR A 25 -18.866 -2.540 -1.667 1.00 2.83 C ATOM 361 OH TYR A 25 -20.140 -2.246 -2.053 1.00 3.61 O ATOM 0 H TYR A 25 -13.592 -2.510 1.479 1.00 0.62 H new ATOM 0 HA TYR A 25 -15.767 -4.181 1.344 1.00 0.76 H new ATOM 0 HB2 TYR A 25 -14.249 -2.482 -0.351 1.00 0.89 H new ATOM 0 HB3 TYR A 25 -14.321 -4.026 -1.176 1.00 0.89 H new ATOM 0 HD1 TYR A 25 -16.825 -5.175 -0.908 1.00 1.29 H new ATOM 0 HD2 TYR A 25 -15.918 -0.965 -0.951 1.00 2.96 H new ATOM 0 HE1 TYR A 25 -19.172 -4.686 -1.563 1.00 1.57 H new ATOM 0 HE2 TYR A 25 -18.243 -0.468 -1.665 1.00 3.75 H new ATOM 0 HH TYR A 25 -20.234 -1.276 -2.159 1.00 3.61 H new ATOM 371 N ALA A 26 -12.959 -5.706 0.481 1.00 0.73 N ATOM 372 CA ALA A 26 -12.377 -7.020 0.309 1.00 0.85 C ATOM 373 C ALA A 26 -12.627 -7.889 1.543 1.00 0.88 C ATOM 374 O ALA A 26 -13.002 -9.044 1.392 1.00 1.09 O ATOM 375 CB ALA A 26 -10.901 -6.882 -0.039 1.00 0.89 C ATOM 0 H ALA A 26 -12.305 -4.931 0.370 1.00 0.73 H new ATOM 0 HA ALA A 26 -12.859 -7.534 -0.523 1.00 0.85 H new ATOM 0 HB1 ALA A 26 -10.464 -7.872 -0.168 1.00 0.89 H new ATOM 0 HB2 ALA A 26 -10.797 -6.316 -0.964 1.00 0.89 H new ATOM 0 HB3 ALA A 26 -10.385 -6.360 0.766 1.00 0.89 H new ATOM 381 N GLY A 27 -12.468 -7.348 2.751 1.00 0.75 N ATOM 382 CA GLY A 27 -12.694 -8.092 3.984 1.00 0.87 C ATOM 383 C GLY A 27 -14.136 -8.545 4.108 1.00 0.95 C ATOM 384 O GLY A 27 -14.409 -9.716 4.352 1.00 1.28 O ATOM 0 H GLY A 27 -12.179 -6.381 2.899 1.00 0.75 H new ATOM 0 HA2 GLY A 27 -12.036 -8.960 4.011 1.00 0.87 H new ATOM 0 HA3 GLY A 27 -12.434 -7.468 4.839 1.00 0.87 H new ATOM 388 N TYR A 28 -15.054 -7.596 3.937 1.00 0.83 N ATOM 389 CA TYR A 28 -16.485 -7.783 4.106 1.00 0.98 C ATOM 390 C TYR A 28 -16.973 -8.970 3.276 1.00 1.10 C ATOM 391 O TYR A 28 -17.840 -9.725 3.706 1.00 1.33 O ATOM 392 CB TYR A 28 -17.211 -6.478 3.733 1.00 1.03 C ATOM 393 CG TYR A 28 -18.224 -6.041 4.765 1.00 1.29 C ATOM 394 CD1 TYR A 28 -19.467 -6.693 4.844 1.00 1.53 C ATOM 395 CD2 TYR A 28 -17.913 -4.995 5.654 1.00 1.54 C ATOM 396 CE1 TYR A 28 -20.410 -6.290 5.806 1.00 1.87 C ATOM 397 CE2 TYR A 28 -18.846 -4.597 6.626 1.00 1.94 C ATOM 398 CZ TYR A 28 -20.102 -5.244 6.704 1.00 2.05 C ATOM 399 OH TYR A 28 -21.019 -4.865 7.638 1.00 2.47 O ATOM 0 H TYR A 28 -14.808 -6.643 3.667 1.00 0.83 H new ATOM 0 HA TYR A 28 -16.709 -8.014 5.147 1.00 0.98 H new ATOM 0 HB2 TYR A 28 -16.474 -5.686 3.599 1.00 1.03 H new ATOM 0 HB3 TYR A 28 -17.713 -6.611 2.775 1.00 1.03 H new ATOM 0 HD1 TYR A 28 -19.697 -7.502 4.167 1.00 1.53 H new ATOM 0 HD2 TYR A 28 -16.956 -4.498 5.589 1.00 1.54 H new ATOM 0 HE1 TYR A 28 -21.371 -6.781 5.858 1.00 1.87 H new ATOM 0 HE2 TYR A 28 -18.605 -3.799 7.312 1.00 1.94 H new ATOM 0 HH TYR A 28 -20.653 -4.134 8.178 1.00 2.47 H new ATOM 409 N LEU A 29 -16.440 -9.104 2.061 1.00 1.01 N ATOM 410 CA LEU A 29 -16.760 -10.167 1.135 1.00 1.16 C ATOM 411 C LEU A 29 -15.885 -11.402 1.302 1.00 1.25 C ATOM 412 O LEU A 29 -16.277 -12.473 0.844 1.00 1.38 O ATOM 413 CB LEU A 29 -16.554 -9.626 -0.275 1.00 1.21 C ATOM 414 CG LEU A 29 -17.677 -8.672 -0.734 1.00 1.26 C ATOM 415 CD1 LEU A 29 -18.933 -9.498 -0.963 1.00 1.42 C ATOM 416 CD2 LEU A 29 -18.120 -7.559 0.222 1.00 1.17 C ATOM 0 H LEU A 29 -15.752 -8.448 1.691 1.00 1.01 H new ATOM 0 HA LEU A 29 -17.788 -10.475 1.328 1.00 1.16 H new ATOM 0 HB2 LEU A 29 -15.600 -9.101 -0.319 1.00 1.21 H new ATOM 0 HB3 LEU A 29 -16.490 -10.462 -0.971 1.00 1.21 H new ATOM 0 HG LEU A 29 -17.240 -8.181 -1.603 1.00 1.26 H new ATOM 0 HD11 LEU A 29 -19.743 -8.846 -1.289 1.00 1.42 H new ATOM 0 HD12 LEU A 29 -18.740 -10.248 -1.730 1.00 1.42 H new ATOM 0 HD13 LEU A 29 -19.217 -9.993 -0.035 1.00 1.42 H new ATOM 0 HD21 LEU A 29 -18.914 -6.975 -0.243 1.00 1.17 H new ATOM 0 HD22 LEU A 29 -18.488 -8.000 1.148 1.00 1.17 H new ATOM 0 HD23 LEU A 29 -17.273 -6.909 0.441 1.00 1.17 H new ATOM 428 N LEU A 30 -14.675 -11.263 1.847 1.00 1.24 N ATOM 429 CA LEU A 30 -13.689 -12.328 1.834 1.00 1.39 C ATOM 430 C LEU A 30 -13.134 -12.490 3.248 1.00 1.44 C ATOM 431 O LEU A 30 -12.044 -12.007 3.538 1.00 1.81 O ATOM 432 CB LEU A 30 -12.550 -12.049 0.835 1.00 1.40 C ATOM 433 CG LEU A 30 -13.015 -11.821 -0.610 1.00 1.47 C ATOM 434 CD1 LEU A 30 -11.931 -11.061 -1.373 1.00 1.46 C ATOM 435 CD2 LEU A 30 -13.289 -13.154 -1.311 1.00 1.75 C ATOM 0 H LEU A 30 -14.358 -10.409 2.307 1.00 1.24 H new ATOM 0 HA LEU A 30 -14.171 -13.250 1.508 1.00 1.39 H new ATOM 0 HB2 LEU A 30 -11.998 -11.171 1.169 1.00 1.40 H new ATOM 0 HB3 LEU A 30 -11.855 -12.888 0.852 1.00 1.40 H new ATOM 0 HG LEU A 30 -13.939 -11.243 -0.592 1.00 1.47 H new ATOM 0 HD11 LEU A 30 -12.256 -10.897 -2.400 1.00 1.46 H new ATOM 0 HD12 LEU A 30 -11.752 -10.100 -0.891 1.00 1.46 H new ATOM 0 HD13 LEU A 30 -11.010 -11.644 -1.373 1.00 1.46 H new ATOM 0 HD21 LEU A 30 -13.617 -12.967 -2.333 1.00 1.75 H new ATOM 0 HD22 LEU A 30 -12.377 -13.751 -1.326 1.00 1.75 H new ATOM 0 HD23 LEU A 30 -14.068 -13.695 -0.773 1.00 1.75 H new ATOM 447 N ASP A 31 -13.860 -13.210 4.108 1.00 2.06 N ATOM 448 CA ASP A 31 -13.666 -13.271 5.561 1.00 2.32 C ATOM 449 C ASP A 31 -12.196 -13.394 5.965 1.00 2.08 C ATOM 450 O ASP A 31 -11.764 -12.771 6.933 1.00 3.39 O ATOM 451 CB ASP A 31 -14.402 -14.478 6.176 1.00 3.90 C ATOM 452 CG ASP A 31 -15.912 -14.545 5.943 1.00 5.65 C ATOM 453 OD1 ASP A 31 -16.354 -14.103 4.861 1.00 6.76 O ATOM 454 OD2 ASP A 31 -16.588 -15.111 6.828 1.00 6.50 O ATOM 0 H ASP A 31 -14.636 -13.794 3.796 1.00 2.06 H new ATOM 0 HA ASP A 31 -14.069 -12.330 5.936 1.00 2.32 H new ATOM 0 HB2 ASP A 31 -13.954 -15.389 5.779 1.00 3.90 H new ATOM 0 HB3 ASP A 31 -14.222 -14.476 7.251 1.00 3.90 H new ATOM 459 N LYS A 32 -11.477 -14.282 5.263 1.00 2.77 N ATOM 460 CA LYS A 32 -10.046 -14.596 5.360 1.00 4.65 C ATOM 461 C LYS A 32 -9.458 -14.351 6.750 1.00 5.01 C ATOM 462 O LYS A 32 -8.428 -13.701 6.891 1.00 6.18 O ATOM 463 CB LYS A 32 -9.291 -13.838 4.253 1.00 6.11 C ATOM 464 CG LYS A 32 -9.499 -14.530 2.900 1.00 7.01 C ATOM 465 CD LYS A 32 -8.525 -15.711 2.750 1.00 8.02 C ATOM 466 CE LYS A 32 -9.120 -16.855 1.922 1.00 8.55 C ATOM 467 NZ LYS A 32 -10.132 -17.622 2.682 1.00 8.31 N ATOM 0 H LYS A 32 -11.926 -14.851 4.546 1.00 2.77 H new ATOM 0 HA LYS A 32 -9.923 -15.668 5.207 1.00 4.65 H new ATOM 0 HB2 LYS A 32 -9.645 -12.808 4.201 1.00 6.11 H new ATOM 0 HB3 LYS A 32 -8.228 -13.798 4.490 1.00 6.11 H new ATOM 0 HG2 LYS A 32 -10.527 -14.885 2.819 1.00 7.01 H new ATOM 0 HG3 LYS A 32 -9.343 -13.816 2.091 1.00 7.01 H new ATOM 0 HD2 LYS A 32 -7.606 -15.363 2.278 1.00 8.02 H new ATOM 0 HD3 LYS A 32 -8.254 -16.083 3.738 1.00 8.02 H new ATOM 0 HE2 LYS A 32 -9.576 -16.450 1.019 1.00 8.55 H new ATOM 0 HE3 LYS A 32 -8.322 -17.525 1.603 1.00 8.55 H new ATOM 0 HZ1 LYS A 32 -10.497 -18.396 2.091 1.00 8.31 H new ATOM 0 HZ2 LYS A 32 -9.696 -18.017 3.540 1.00 8.31 H new ATOM 0 HZ3 LYS A 32 -10.915 -16.993 2.950 1.00 8.31 H new ATOM 481 N ASN A 33 -10.076 -14.976 7.758 1.00 4.60 N ATOM 482 CA ASN A 33 -9.698 -14.923 9.167 1.00 5.01 C ATOM 483 C ASN A 33 -9.229 -13.528 9.577 1.00 5.05 C ATOM 484 O ASN A 33 -8.179 -13.337 10.183 1.00 5.86 O ATOM 485 CB ASN A 33 -8.678 -16.034 9.448 1.00 6.10 C ATOM 486 CG ASN A 33 -8.186 -16.079 10.891 1.00 6.77 C ATOM 487 OD1 ASN A 33 -7.005 -16.282 11.142 1.00 7.98 O ATOM 488 ND2 ASN A 33 -9.073 -15.957 11.871 1.00 6.49 N ATOM 0 H ASN A 33 -10.896 -15.562 7.600 1.00 4.60 H new ATOM 0 HA ASN A 33 -10.569 -15.110 9.795 1.00 5.01 H new ATOM 0 HB2 ASN A 33 -9.127 -16.996 9.199 1.00 6.10 H new ATOM 0 HB3 ASN A 33 -7.821 -15.901 8.788 1.00 6.10 H new ATOM 0 HD21 ASN A 33 -8.773 -16.032 12.843 1.00 6.49 H new ATOM 0 HD22 ASN A 33 -10.055 -15.788 11.652 1.00 6.49 H new ATOM 495 N GLN A 34 -10.081 -12.557 9.270 1.00 4.88 N ATOM 496 CA GLN A 34 -9.866 -11.153 9.540 1.00 5.27 C ATOM 497 C GLN A 34 -11.187 -10.556 10.010 1.00 4.03 C ATOM 498 O GLN A 34 -11.221 -9.843 11.009 1.00 4.18 O ATOM 499 CB GLN A 34 -9.349 -10.467 8.265 1.00 7.27 C ATOM 500 CG GLN A 34 -8.491 -9.243 8.593 1.00 8.63 C ATOM 501 CD GLN A 34 -7.154 -9.674 9.185 1.00 9.72 C ATOM 502 OE1 GLN A 34 -6.288 -10.188 8.485 1.00 10.69 O ATOM 503 NE2 GLN A 34 -6.963 -9.497 10.486 1.00 9.91 N ATOM 0 H GLN A 34 -10.972 -12.740 8.809 1.00 4.88 H new ATOM 0 HA GLN A 34 -9.118 -11.006 10.319 1.00 5.27 H new ATOM 0 HB2 GLN A 34 -8.763 -11.177 7.681 1.00 7.27 H new ATOM 0 HB3 GLN A 34 -10.193 -10.165 7.646 1.00 7.27 H new ATOM 0 HG2 GLN A 34 -8.324 -8.656 7.690 1.00 8.63 H new ATOM 0 HG3 GLN A 34 -9.018 -8.600 9.298 1.00 8.63 H new ATOM 0 HE21 GLN A 34 -7.693 -9.068 11.055 1.00 9.91 H new ATOM 0 HE22 GLN A 34 -6.086 -9.790 10.917 1.00 9.91 H new ATOM 512 N SER A 35 -12.276 -10.862 9.296 1.00 3.92 N ATOM 513 CA SER A 35 -13.640 -10.415 9.573 1.00 4.75 C ATOM 514 C SER A 35 -13.876 -8.969 9.142 1.00 4.41 C ATOM 515 O SER A 35 -14.949 -8.664 8.632 1.00 5.62 O ATOM 516 CB SER A 35 -14.012 -10.596 11.050 1.00 5.76 C ATOM 517 OG SER A 35 -15.417 -10.681 11.182 1.00 7.50 O ATOM 0 H SER A 35 -12.224 -11.457 8.469 1.00 3.92 H new ATOM 0 HA SER A 35 -14.292 -11.052 8.975 1.00 4.75 H new ATOM 0 HB2 SER A 35 -13.545 -11.499 11.444 1.00 5.76 H new ATOM 0 HB3 SER A 35 -13.632 -9.759 11.636 1.00 5.76 H new ATOM 0 HG SER A 35 -15.650 -10.798 12.127 1.00 7.50 H new ATOM 523 N ASP A 36 -12.915 -8.080 9.386 1.00 3.31 N ATOM 524 CA ASP A 36 -13.003 -6.663 9.098 1.00 3.51 C ATOM 525 C ASP A 36 -11.750 -6.318 8.304 1.00 2.63 C ATOM 526 O ASP A 36 -10.644 -6.537 8.800 1.00 2.68 O ATOM 527 CB ASP A 36 -13.076 -5.895 10.422 1.00 4.36 C ATOM 528 CG ASP A 36 -13.412 -4.427 10.192 1.00 5.56 C ATOM 529 OD1 ASP A 36 -14.535 -4.190 9.699 1.00 6.53 O ATOM 530 OD2 ASP A 36 -12.565 -3.574 10.540 1.00 6.05 O ATOM 0 H ASP A 36 -12.023 -8.344 9.805 1.00 3.31 H new ATOM 0 HA ASP A 36 -13.890 -6.397 8.523 1.00 3.51 H new ATOM 0 HB2 ASP A 36 -13.831 -6.347 11.066 1.00 4.36 H new ATOM 0 HB3 ASP A 36 -12.123 -5.975 10.944 1.00 4.36 H new ATOM 535 N LEU A 37 -11.923 -5.845 7.064 1.00 2.90 N ATOM 536 CA LEU A 37 -10.866 -5.672 6.063 1.00 2.10 C ATOM 537 C LEU A 37 -10.235 -7.016 5.659 1.00 2.03 C ATOM 538 O LEU A 37 -10.510 -8.035 6.288 1.00 2.69 O ATOM 539 CB LEU A 37 -9.814 -4.658 6.535 1.00 1.71 C ATOM 540 CG LEU A 37 -10.407 -3.351 7.094 1.00 1.77 C ATOM 541 CD1 LEU A 37 -10.004 -3.144 8.556 1.00 1.99 C ATOM 542 CD2 LEU A 37 -9.899 -2.147 6.305 1.00 2.23 C ATOM 0 H LEU A 37 -12.840 -5.561 6.718 1.00 2.90 H new ATOM 0 HA LEU A 37 -11.328 -5.263 5.164 1.00 2.10 H new ATOM 0 HB2 LEU A 37 -9.197 -5.122 7.304 1.00 1.71 H new ATOM 0 HB3 LEU A 37 -9.156 -4.418 5.700 1.00 1.71 H new ATOM 0 HG LEU A 37 -11.491 -3.434 7.011 1.00 1.77 H new ATOM 0 HD11 LEU A 37 -10.437 -2.214 8.924 1.00 1.99 H new ATOM 0 HD12 LEU A 37 -10.370 -3.977 9.156 1.00 1.99 H new ATOM 0 HD13 LEU A 37 -8.918 -3.093 8.630 1.00 1.99 H new ATOM 0 HD21 LEU A 37 -10.330 -1.234 6.716 1.00 2.23 H new ATOM 0 HD22 LEU A 37 -8.812 -2.099 6.375 1.00 2.23 H new ATOM 0 HD23 LEU A 37 -10.191 -2.247 5.260 1.00 2.23 H new ATOM 554 N VAL A 38 -9.440 -7.060 4.579 1.00 1.50 N ATOM 555 CA VAL A 38 -8.762 -8.304 4.193 1.00 1.60 C ATOM 556 C VAL A 38 -7.282 -8.239 4.567 1.00 1.79 C ATOM 557 O VAL A 38 -6.762 -9.204 5.122 1.00 2.74 O ATOM 558 CB VAL A 38 -9.024 -8.703 2.722 1.00 1.46 C ATOM 559 CG1 VAL A 38 -8.223 -7.906 1.692 1.00 1.54 C ATOM 560 CG2 VAL A 38 -8.705 -10.187 2.511 1.00 1.87 C ATOM 0 H VAL A 38 -9.254 -6.264 3.969 1.00 1.50 H new ATOM 0 HA VAL A 38 -9.199 -9.121 4.767 1.00 1.60 H new ATOM 0 HB VAL A 38 -10.079 -8.482 2.558 1.00 1.46 H new ATOM 0 HG11 VAL A 38 -8.471 -8.254 0.689 1.00 1.54 H new ATOM 0 HG12 VAL A 38 -8.469 -6.848 1.780 1.00 1.54 H new ATOM 0 HG13 VAL A 38 -7.157 -8.047 1.872 1.00 1.54 H new ATOM 0 HG21 VAL A 38 -8.894 -10.455 1.472 1.00 1.87 H new ATOM 0 HG22 VAL A 38 -7.657 -10.371 2.749 1.00 1.87 H new ATOM 0 HG23 VAL A 38 -9.337 -10.791 3.162 1.00 1.87 H new ATOM 570 N THR A 39 -6.616 -7.110 4.295 1.00 1.85 N ATOM 571 CA THR A 39 -5.186 -6.907 4.487 1.00 1.99 C ATOM 572 C THR A 39 -4.373 -7.982 3.739 1.00 2.53 C ATOM 573 O THR A 39 -4.913 -8.789 2.978 1.00 3.61 O ATOM 574 CB THR A 39 -4.901 -6.723 5.999 1.00 1.97 C ATOM 575 OG1 THR A 39 -4.094 -5.581 6.234 1.00 3.02 O ATOM 576 CG2 THR A 39 -4.263 -7.908 6.733 1.00 2.53 C ATOM 0 H THR A 39 -7.083 -6.284 3.921 1.00 1.85 H new ATOM 0 HA THR A 39 -4.838 -5.983 4.025 1.00 1.99 H new ATOM 0 HB THR A 39 -5.903 -6.615 6.413 1.00 1.97 H new ATOM 0 HG1 THR A 39 -3.931 -5.488 7.196 1.00 3.02 H new ATOM 0 HG21 THR A 39 -4.116 -7.650 7.782 1.00 2.53 H new ATOM 0 HG22 THR A 39 -4.918 -8.776 6.661 1.00 2.53 H new ATOM 0 HG23 THR A 39 -3.300 -8.142 6.279 1.00 2.53 H new ATOM 584 N ASN A 40 -3.046 -8.002 3.888 1.00 2.84 N ATOM 585 CA ASN A 40 -2.296 -9.142 3.390 1.00 3.55 C ATOM 586 C ASN A 40 -2.527 -10.338 4.308 1.00 2.72 C ATOM 587 O ASN A 40 -1.810 -10.525 5.286 1.00 3.36 O ATOM 588 CB ASN A 40 -0.803 -8.839 3.273 1.00 5.16 C ATOM 589 CG ASN A 40 -0.013 -10.135 3.079 1.00 5.91 C ATOM 590 OD1 ASN A 40 -0.452 -11.026 2.352 1.00 6.23 O ATOM 591 ND2 ASN A 40 1.129 -10.263 3.740 1.00 6.69 N ATOM 0 H ASN A 40 -2.492 -7.270 4.332 1.00 2.84 H new ATOM 0 HA ASN A 40 -2.654 -9.372 2.386 1.00 3.55 H new ATOM 0 HB2 ASN A 40 -0.626 -8.168 2.433 1.00 5.16 H new ATOM 0 HB3 ASN A 40 -0.458 -8.325 4.170 1.00 5.16 H new ATOM 0 HD21 ASN A 40 1.674 -11.121 3.655 1.00 6.69 H new ATOM 0 HD22 ASN A 40 1.462 -9.504 4.334 1.00 6.69 H new ATOM 598 N SER A 41 -3.477 -11.183 3.924 1.00 2.12 N ATOM 599 CA SER A 41 -3.707 -12.473 4.551 1.00 1.99 C ATOM 600 C SER A 41 -3.821 -13.531 3.448 1.00 2.15 C ATOM 601 O SER A 41 -4.685 -14.404 3.491 1.00 3.29 O ATOM 602 CB SER A 41 -4.959 -12.363 5.434 1.00 2.98 C ATOM 603 OG SER A 41 -4.655 -11.489 6.501 1.00 4.81 O ATOM 0 H SER A 41 -4.118 -10.985 3.156 1.00 2.12 H new ATOM 0 HA SER A 41 -2.885 -12.776 5.199 1.00 1.99 H new ATOM 0 HB2 SER A 41 -5.802 -11.983 4.857 1.00 2.98 H new ATOM 0 HB3 SER A 41 -5.248 -13.344 5.813 1.00 2.98 H new ATOM 0 HG SER A 41 -5.481 -11.245 6.969 1.00 4.81 H new ATOM 609 N LYS A 42 -2.942 -13.458 2.436 1.00 2.45 N ATOM 610 CA LYS A 42 -2.890 -14.475 1.380 1.00 2.94 C ATOM 611 C LYS A 42 -2.268 -15.766 1.910 1.00 2.98 C ATOM 612 O LYS A 42 -2.747 -16.851 1.595 1.00 3.93 O ATOM 613 CB LYS A 42 -2.089 -13.981 0.162 1.00 3.47 C ATOM 614 CG LYS A 42 -2.840 -12.995 -0.746 1.00 4.30 C ATOM 615 CD LYS A 42 -4.020 -13.632 -1.496 1.00 4.94 C ATOM 616 CE LYS A 42 -4.475 -12.764 -2.683 1.00 5.69 C ATOM 617 NZ LYS A 42 -3.604 -12.896 -3.875 1.00 6.19 N ATOM 0 H LYS A 42 -2.260 -12.707 2.329 1.00 2.45 H new ATOM 0 HA LYS A 42 -3.915 -14.669 1.064 1.00 2.94 H new ATOM 0 HB2 LYS A 42 -1.175 -13.504 0.515 1.00 3.47 H new ATOM 0 HB3 LYS A 42 -1.789 -14.844 -0.432 1.00 3.47 H new ATOM 0 HG2 LYS A 42 -3.208 -12.165 -0.142 1.00 4.30 H new ATOM 0 HG3 LYS A 42 -2.142 -12.577 -1.471 1.00 4.30 H new ATOM 0 HD2 LYS A 42 -3.732 -14.619 -1.857 1.00 4.94 H new ATOM 0 HD3 LYS A 42 -4.854 -13.775 -0.809 1.00 4.94 H new ATOM 0 HE2 LYS A 42 -5.494 -13.038 -2.955 1.00 5.69 H new ATOM 0 HE3 LYS A 42 -4.498 -11.719 -2.372 1.00 5.69 H new ATOM 0 HZ1 LYS A 42 -3.870 -12.180 -4.580 1.00 6.19 H new ATOM 0 HZ2 LYS A 42 -2.612 -12.756 -3.597 1.00 6.19 H new ATOM 0 HZ3 LYS A 42 -3.718 -13.845 -4.285 1.00 6.19 H new ATOM 631 N LYS A 43 -1.167 -15.657 2.660 1.00 2.74 N ATOM 632 CA LYS A 43 -0.447 -16.803 3.210 1.00 3.15 C ATOM 633 C LYS A 43 -0.132 -16.519 4.668 1.00 2.74 C ATOM 634 O LYS A 43 -0.747 -17.101 5.554 1.00 4.07 O ATOM 635 CB LYS A 43 0.821 -17.100 2.392 1.00 3.84 C ATOM 636 CG LYS A 43 0.497 -17.962 1.166 1.00 4.91 C ATOM 637 CD LYS A 43 1.739 -18.142 0.286 1.00 5.29 C ATOM 638 CE LYS A 43 1.459 -19.100 -0.879 1.00 6.37 C ATOM 639 NZ LYS A 43 1.342 -20.506 -0.434 1.00 7.28 N ATOM 0 H LYS A 43 -0.748 -14.759 2.903 1.00 2.74 H new ATOM 0 HA LYS A 43 -1.067 -17.698 3.150 1.00 3.15 H new ATOM 0 HB2 LYS A 43 1.279 -16.164 2.072 1.00 3.84 H new ATOM 0 HB3 LYS A 43 1.550 -17.613 3.019 1.00 3.84 H new ATOM 0 HG2 LYS A 43 0.129 -18.936 1.487 1.00 4.91 H new ATOM 0 HG3 LYS A 43 -0.300 -17.495 0.587 1.00 4.91 H new ATOM 0 HD2 LYS A 43 2.055 -17.174 -0.103 1.00 5.29 H new ATOM 0 HD3 LYS A 43 2.562 -18.528 0.888 1.00 5.29 H new ATOM 0 HE2 LYS A 43 0.537 -18.801 -1.378 1.00 6.37 H new ATOM 0 HE3 LYS A 43 2.260 -19.019 -1.614 1.00 6.37 H new ATOM 0 HZ1 LYS A 43 1.255 -21.127 -1.264 1.00 7.28 H new ATOM 0 HZ2 LYS A 43 2.189 -20.770 0.108 1.00 7.28 H new ATOM 0 HZ3 LYS A 43 0.500 -20.611 0.167 1.00 7.28 H new ATOM 653 N PHE A 44 0.807 -15.611 4.919 1.00 1.84 N ATOM 654 CA PHE A 44 1.088 -15.103 6.251 1.00 1.75 C ATOM 655 C PHE A 44 1.608 -13.681 6.086 1.00 1.38 C ATOM 656 O PHE A 44 1.878 -13.261 4.966 1.00 2.66 O ATOM 657 CB PHE A 44 2.114 -16.003 6.962 1.00 2.74 C ATOM 658 CG PHE A 44 1.619 -16.511 8.300 1.00 3.47 C ATOM 659 CD1 PHE A 44 0.857 -17.692 8.363 1.00 3.96 C ATOM 660 CD2 PHE A 44 1.885 -15.789 9.477 1.00 4.69 C ATOM 661 CE1 PHE A 44 0.363 -18.148 9.597 1.00 4.94 C ATOM 662 CE2 PHE A 44 1.382 -16.239 10.711 1.00 5.74 C ATOM 663 CZ PHE A 44 0.622 -17.420 10.770 1.00 5.64 C ATOM 0 H PHE A 44 1.398 -15.205 4.193 1.00 1.84 H new ATOM 0 HA PHE A 44 0.191 -15.102 6.871 1.00 1.75 H new ATOM 0 HB2 PHE A 44 2.352 -16.852 6.321 1.00 2.74 H new ATOM 0 HB3 PHE A 44 3.039 -15.446 7.109 1.00 2.74 H new ATOM 0 HD1 PHE A 44 0.651 -18.249 7.461 1.00 3.96 H new ATOM 0 HD2 PHE A 44 2.477 -14.887 9.433 1.00 4.69 H new ATOM 0 HE1 PHE A 44 -0.216 -19.058 9.644 1.00 4.94 H new ATOM 0 HE2 PHE A 44 1.579 -15.678 11.612 1.00 5.74 H new ATOM 0 HZ PHE A 44 0.237 -17.768 11.717 1.00 5.64 H new ATOM 673 N ILE A 45 1.766 -12.943 7.181 1.00 1.26 N ATOM 674 CA ILE A 45 2.450 -11.657 7.147 1.00 0.94 C ATOM 675 C ILE A 45 3.885 -11.868 6.635 1.00 1.00 C ATOM 676 O ILE A 45 4.692 -12.522 7.291 1.00 1.87 O ATOM 677 CB ILE A 45 2.367 -10.971 8.529 1.00 1.31 C ATOM 678 CG1 ILE A 45 3.237 -11.631 9.617 1.00 1.79 C ATOM 679 CG2 ILE A 45 0.896 -10.941 8.970 1.00 2.28 C ATOM 680 CD1 ILE A 45 2.972 -11.094 11.027 1.00 2.45 C ATOM 0 H ILE A 45 1.428 -13.216 8.104 1.00 1.26 H new ATOM 0 HA ILE A 45 1.963 -10.973 6.452 1.00 0.94 H new ATOM 0 HB ILE A 45 2.768 -9.964 8.413 1.00 1.31 H new ATOM 0 HG12 ILE A 45 3.060 -12.707 9.608 1.00 1.79 H new ATOM 0 HG13 ILE A 45 4.288 -11.479 9.371 1.00 1.79 H new ATOM 0 HG21 ILE A 45 0.818 -10.460 9.945 1.00 2.28 H new ATOM 0 HG22 ILE A 45 0.309 -10.382 8.241 1.00 2.28 H new ATOM 0 HG23 ILE A 45 0.515 -11.960 9.037 1.00 2.28 H new ATOM 0 HD11 ILE A 45 3.620 -11.605 11.739 1.00 2.45 H new ATOM 0 HD12 ILE A 45 3.177 -10.024 11.053 1.00 2.45 H new ATOM 0 HD13 ILE A 45 1.930 -11.271 11.294 1.00 2.45 H new ATOM 692 N ASP A 46 4.200 -11.365 5.441 1.00 0.74 N ATOM 693 CA ASP A 46 5.448 -11.673 4.744 1.00 0.59 C ATOM 694 C ASP A 46 5.936 -10.456 3.949 1.00 0.52 C ATOM 695 O ASP A 46 7.005 -9.914 4.224 1.00 0.56 O ATOM 696 CB ASP A 46 5.273 -12.932 3.868 1.00 0.64 C ATOM 697 CG ASP A 46 4.237 -12.829 2.737 1.00 2.30 C ATOM 698 OD1 ASP A 46 3.269 -12.043 2.883 1.00 3.94 O ATOM 699 OD2 ASP A 46 4.448 -13.509 1.711 1.00 3.01 O ATOM 0 H ASP A 46 3.591 -10.728 4.927 1.00 0.74 H new ATOM 0 HA ASP A 46 6.225 -11.899 5.474 1.00 0.59 H new ATOM 0 HB2 ASP A 46 6.239 -13.181 3.428 1.00 0.64 H new ATOM 0 HB3 ASP A 46 4.994 -13.764 4.515 1.00 0.64 H new ATOM 704 N ILE A 47 5.123 -9.973 3.014 1.00 0.51 N ATOM 705 CA ILE A 47 5.328 -8.794 2.194 1.00 0.50 C ATOM 706 C ILE A 47 5.559 -7.611 3.138 1.00 0.49 C ATOM 707 O ILE A 47 6.538 -6.877 3.033 1.00 0.50 O ATOM 708 CB ILE A 47 4.064 -8.652 1.316 1.00 0.50 C ATOM 709 CG1 ILE A 47 3.840 -9.842 0.368 1.00 0.55 C ATOM 710 CG2 ILE A 47 4.040 -7.344 0.532 1.00 0.49 C ATOM 711 CD1 ILE A 47 4.599 -9.691 -0.942 1.00 0.55 C ATOM 0 H ILE A 47 4.239 -10.434 2.798 1.00 0.51 H new ATOM 0 HA ILE A 47 6.195 -8.850 1.536 1.00 0.50 H new ATOM 0 HB ILE A 47 3.236 -8.642 2.025 1.00 0.50 H new ATOM 0 HG12 ILE A 47 4.154 -10.761 0.863 1.00 0.55 H new ATOM 0 HG13 ILE A 47 2.775 -9.941 0.158 1.00 0.55 H new ATOM 0 HG21 ILE A 47 3.131 -7.296 -0.068 1.00 0.49 H new ATOM 0 HG22 ILE A 47 4.062 -6.504 1.226 1.00 0.49 H new ATOM 0 HG23 ILE A 47 4.910 -7.296 -0.123 1.00 0.49 H new ATOM 0 HD11 ILE A 47 4.407 -10.557 -1.576 1.00 0.55 H new ATOM 0 HD12 ILE A 47 4.267 -8.787 -1.453 1.00 0.55 H new ATOM 0 HD13 ILE A 47 5.667 -9.621 -0.737 1.00 0.55 H new ATOM 723 N PHE A 48 4.669 -7.464 4.115 1.00 0.48 N ATOM 724 CA PHE A 48 4.787 -6.482 5.174 1.00 0.45 C ATOM 725 C PHE A 48 6.040 -6.667 6.014 1.00 0.48 C ATOM 726 O PHE A 48 6.600 -5.684 6.482 1.00 0.54 O ATOM 727 CB PHE A 48 3.550 -6.617 6.054 1.00 0.48 C ATOM 728 CG PHE A 48 3.551 -5.744 7.286 1.00 0.44 C ATOM 729 CD1 PHE A 48 3.789 -4.372 7.148 1.00 0.38 C ATOM 730 CD2 PHE A 48 3.334 -6.289 8.564 1.00 0.45 C ATOM 731 CE1 PHE A 48 3.857 -3.548 8.275 1.00 0.38 C ATOM 732 CE2 PHE A 48 3.338 -5.453 9.695 1.00 0.43 C ATOM 733 CZ PHE A 48 3.633 -4.086 9.553 1.00 0.41 C ATOM 0 H PHE A 48 3.830 -8.039 4.189 1.00 0.48 H new ATOM 0 HA PHE A 48 4.864 -5.490 4.728 1.00 0.45 H new ATOM 0 HB2 PHE A 48 2.669 -6.379 5.458 1.00 0.48 H new ATOM 0 HB3 PHE A 48 3.453 -7.658 6.363 1.00 0.48 H new ATOM 0 HD1 PHE A 48 3.921 -3.947 6.164 1.00 0.38 H new ATOM 0 HD2 PHE A 48 3.164 -7.350 8.677 1.00 0.45 H new ATOM 0 HE1 PHE A 48 4.082 -2.498 8.163 1.00 0.38 H new ATOM 0 HE2 PHE A 48 3.115 -5.860 10.670 1.00 0.43 H new ATOM 0 HZ PHE A 48 3.687 -3.451 10.425 1.00 0.41 H new ATOM 743 N LYS A 49 6.475 -7.897 6.283 1.00 0.46 N ATOM 744 CA LYS A 49 7.588 -8.055 7.206 1.00 0.45 C ATOM 745 C LYS A 49 8.836 -7.388 6.655 1.00 0.46 C ATOM 746 O LYS A 49 9.527 -6.685 7.387 1.00 0.46 O ATOM 747 CB LYS A 49 7.865 -9.530 7.515 1.00 0.53 C ATOM 748 CG LYS A 49 6.734 -10.212 8.289 1.00 0.79 C ATOM 749 CD LYS A 49 6.547 -9.618 9.689 1.00 1.03 C ATOM 750 CE LYS A 49 5.470 -8.529 9.677 1.00 0.69 C ATOM 751 NZ LYS A 49 5.369 -7.854 10.985 1.00 0.85 N ATOM 0 H LYS A 49 6.093 -8.759 5.894 1.00 0.46 H new ATOM 0 HA LYS A 49 7.309 -7.568 8.140 1.00 0.45 H new ATOM 0 HB2 LYS A 49 8.029 -10.065 6.580 1.00 0.53 H new ATOM 0 HB3 LYS A 49 8.787 -9.606 8.091 1.00 0.53 H new ATOM 0 HG2 LYS A 49 5.804 -10.116 7.729 1.00 0.79 H new ATOM 0 HG3 LYS A 49 6.946 -11.278 8.374 1.00 0.79 H new ATOM 0 HD2 LYS A 49 6.267 -10.405 10.389 1.00 1.03 H new ATOM 0 HD3 LYS A 49 7.490 -9.200 10.041 1.00 1.03 H new ATOM 0 HE2 LYS A 49 5.701 -7.795 8.905 1.00 0.69 H new ATOM 0 HE3 LYS A 49 4.507 -8.971 9.419 1.00 0.69 H new ATOM 0 HZ1 LYS A 49 4.771 -7.008 10.894 1.00 0.85 H new ATOM 0 HZ2 LYS A 49 4.946 -8.503 11.679 1.00 0.85 H new ATOM 0 HZ3 LYS A 49 6.318 -7.575 11.306 1.00 0.85 H new ATOM 765 N GLU A 50 9.130 -7.639 5.384 1.00 0.48 N ATOM 766 CA GLU A 50 10.323 -7.093 4.768 1.00 0.52 C ATOM 767 C GLU A 50 10.012 -5.681 4.264 1.00 0.47 C ATOM 768 O GLU A 50 10.550 -4.683 4.748 1.00 0.48 O ATOM 769 CB GLU A 50 10.757 -8.050 3.646 1.00 0.59 C ATOM 770 CG GLU A 50 12.223 -7.864 3.252 1.00 1.51 C ATOM 771 CD GLU A 50 13.140 -8.489 4.304 1.00 1.44 C ATOM 772 OE1 GLU A 50 13.450 -7.784 5.287 1.00 2.18 O ATOM 773 OE2 GLU A 50 13.482 -9.679 4.124 1.00 1.99 O ATOM 0 H GLU A 50 8.558 -8.215 4.766 1.00 0.48 H new ATOM 0 HA GLU A 50 11.150 -7.007 5.473 1.00 0.52 H new ATOM 0 HB2 GLU A 50 10.599 -9.079 3.969 1.00 0.59 H new ATOM 0 HB3 GLU A 50 10.126 -7.890 2.772 1.00 0.59 H new ATOM 0 HG2 GLU A 50 12.407 -8.324 2.281 1.00 1.51 H new ATOM 0 HG3 GLU A 50 12.447 -6.802 3.149 1.00 1.51 H new ATOM 780 N GLU A 51 9.109 -5.584 3.288 1.00 0.45 N ATOM 781 CA GLU A 51 8.899 -4.357 2.535 1.00 0.44 C ATOM 782 C GLU A 51 8.186 -3.314 3.404 1.00 0.39 C ATOM 783 O GLU A 51 8.409 -2.108 3.263 1.00 0.38 O ATOM 784 CB GLU A 51 8.114 -4.642 1.250 1.00 0.48 C ATOM 785 CG GLU A 51 8.484 -5.943 0.514 1.00 0.57 C ATOM 786 CD GLU A 51 9.980 -6.190 0.311 1.00 1.17 C ATOM 787 OE1 GLU A 51 10.700 -5.206 0.053 1.00 2.54 O ATOM 788 OE2 GLU A 51 10.369 -7.384 0.347 1.00 2.04 O ATOM 0 H GLU A 51 8.506 -6.355 3.001 1.00 0.45 H new ATOM 0 HA GLU A 51 9.869 -3.950 2.249 1.00 0.44 H new ATOM 0 HB2 GLU A 51 7.052 -4.674 1.495 1.00 0.48 H new ATOM 0 HB3 GLU A 51 8.258 -3.806 0.566 1.00 0.48 H new ATOM 0 HG2 GLU A 51 8.068 -6.784 1.070 1.00 0.57 H new ATOM 0 HG3 GLU A 51 8.000 -5.936 -0.463 1.00 0.57 H new ATOM 795 N GLY A 52 7.361 -3.766 4.357 1.00 0.37 N ATOM 796 CA GLY A 52 6.763 -2.967 5.415 1.00 0.34 C ATOM 797 C GLY A 52 7.759 -2.502 6.477 1.00 0.31 C ATOM 798 O GLY A 52 7.432 -2.389 7.655 1.00 0.34 O ATOM 0 H GLY A 52 7.084 -4.746 4.407 1.00 0.37 H new ATOM 0 HA2 GLY A 52 6.285 -2.093 4.971 1.00 0.34 H new ATOM 0 HA3 GLY A 52 5.978 -3.549 5.897 1.00 0.34 H new ATOM 802 N SER A 53 8.975 -2.149 6.064 1.00 0.31 N ATOM 803 CA SER A 53 9.835 -1.272 6.828 1.00 0.33 C ATOM 804 C SER A 53 10.608 -0.342 5.889 1.00 0.41 C ATOM 805 O SER A 53 11.668 0.161 6.249 1.00 0.64 O ATOM 806 CB SER A 53 10.745 -2.133 7.708 1.00 0.42 C ATOM 807 OG SER A 53 11.493 -3.054 6.938 1.00 1.85 O ATOM 0 H SER A 53 9.385 -2.469 5.186 1.00 0.31 H new ATOM 0 HA SER A 53 9.252 -0.624 7.482 1.00 0.33 H new ATOM 0 HB2 SER A 53 11.424 -1.491 8.269 1.00 0.42 H new ATOM 0 HB3 SER A 53 10.142 -2.673 8.438 1.00 0.42 H new ATOM 0 HG SER A 53 10.888 -3.567 6.363 1.00 1.85 H new ATOM 813 N ASN A 54 10.078 -0.102 4.681 1.00 0.32 N ATOM 814 CA ASN A 54 10.860 0.482 3.599 1.00 0.37 C ATOM 815 C ASN A 54 10.125 1.599 2.876 1.00 0.39 C ATOM 816 O ASN A 54 10.732 2.601 2.509 1.00 0.52 O ATOM 817 CB ASN A 54 11.272 -0.624 2.616 1.00 0.42 C ATOM 818 CG ASN A 54 12.735 -0.482 2.231 1.00 0.63 C ATOM 819 OD1 ASN A 54 13.111 0.422 1.494 1.00 1.07 O ATOM 820 ND2 ASN A 54 13.585 -1.357 2.751 1.00 1.76 N ATOM 0 H ASN A 54 9.109 -0.306 4.436 1.00 0.32 H new ATOM 0 HA ASN A 54 11.747 0.937 4.039 1.00 0.37 H new ATOM 0 HB2 ASN A 54 11.103 -1.601 3.068 1.00 0.42 H new ATOM 0 HB3 ASN A 54 10.649 -0.574 1.723 1.00 0.42 H new ATOM 0 HD21 ASN A 54 14.581 -1.288 2.541 1.00 1.76 H new ATOM 0 HD22 ASN A 54 13.243 -2.099 3.361 1.00 1.76 H new ATOM 827 N LEU A 55 8.818 1.442 2.653 1.00 0.31 N ATOM 828 CA LEU A 55 8.070 2.465 1.923 1.00 0.32 C ATOM 829 C LEU A 55 8.019 3.765 2.725 1.00 0.35 C ATOM 830 O LEU A 55 8.031 4.851 2.153 1.00 0.42 O ATOM 831 CB LEU A 55 6.648 1.995 1.573 1.00 0.28 C ATOM 832 CG LEU A 55 6.608 0.610 0.922 1.00 0.28 C ATOM 833 CD1 LEU A 55 5.175 0.296 0.479 1.00 0.28 C ATOM 834 CD2 LEU A 55 7.566 0.557 -0.270 1.00 0.36 C ATOM 0 H LEU A 55 8.269 0.639 2.958 1.00 0.31 H new ATOM 0 HA LEU A 55 8.596 2.647 0.986 1.00 0.32 H new ATOM 0 HB2 LEU A 55 6.045 1.979 2.481 1.00 0.28 H new ATOM 0 HB3 LEU A 55 6.190 2.719 0.899 1.00 0.28 H new ATOM 0 HG LEU A 55 6.927 -0.140 1.646 1.00 0.28 H new ATOM 0 HD11 LEU A 55 5.145 -0.690 0.015 1.00 0.28 H new ATOM 0 HD12 LEU A 55 4.515 0.309 1.346 1.00 0.28 H new ATOM 0 HD13 LEU A 55 4.844 1.045 -0.240 1.00 0.28 H new ATOM 0 HD21 LEU A 55 7.528 -0.433 -0.724 1.00 0.36 H new ATOM 0 HD22 LEU A 55 7.272 1.305 -1.006 1.00 0.36 H new ATOM 0 HD23 LEU A 55 8.581 0.761 0.070 1.00 0.36 H new ATOM 846 N THR A 56 7.909 3.645 4.049 1.00 0.33 N ATOM 847 CA THR A 56 7.818 4.750 4.998 1.00 0.36 C ATOM 848 C THR A 56 7.661 4.154 6.402 1.00 0.32 C ATOM 849 O THR A 56 7.417 2.954 6.538 1.00 0.29 O ATOM 850 CB THR A 56 6.707 5.759 4.617 1.00 0.41 C ATOM 851 OG1 THR A 56 6.367 6.584 5.716 1.00 0.49 O ATOM 852 CG2 THR A 56 5.418 5.120 4.106 1.00 0.36 C ATOM 0 H THR A 56 7.880 2.734 4.507 1.00 0.33 H new ATOM 0 HA THR A 56 8.731 5.345 4.975 1.00 0.36 H new ATOM 0 HB THR A 56 7.142 6.337 3.802 1.00 0.41 H new ATOM 0 HG1 THR A 56 5.665 7.213 5.448 1.00 0.49 H new ATOM 0 HG21 THR A 56 4.696 5.900 3.863 1.00 0.36 H new ATOM 0 HG22 THR A 56 5.632 4.533 3.213 1.00 0.36 H new ATOM 0 HG23 THR A 56 5.004 4.470 4.877 1.00 0.36 H new ATOM 860 N SER A 57 7.769 4.973 7.452 1.00 0.36 N ATOM 861 CA SER A 57 7.471 4.583 8.825 1.00 0.36 C ATOM 862 C SER A 57 6.022 4.114 8.959 1.00 0.39 C ATOM 863 O SER A 57 5.747 3.160 9.679 1.00 0.39 O ATOM 864 CB SER A 57 7.722 5.778 9.744 1.00 0.43 C ATOM 865 OG SER A 57 9.020 6.285 9.514 1.00 0.91 O ATOM 0 H SER A 57 8.072 5.943 7.365 1.00 0.36 H new ATOM 0 HA SER A 57 8.118 3.753 9.107 1.00 0.36 H new ATOM 0 HB2 SER A 57 6.979 6.554 9.560 1.00 0.43 H new ATOM 0 HB3 SER A 57 7.617 5.477 10.786 1.00 0.43 H new ATOM 0 HG SER A 57 9.180 7.052 10.102 1.00 0.91 H new ATOM 871 N TYR A 58 5.102 4.769 8.247 1.00 0.46 N ATOM 872 CA TYR A 58 3.704 4.349 8.141 1.00 0.48 C ATOM 873 C TYR A 58 3.645 2.947 7.526 1.00 0.46 C ATOM 874 O TYR A 58 2.857 2.108 7.938 1.00 0.83 O ATOM 875 CB TYR A 58 2.949 5.375 7.273 1.00 0.53 C ATOM 876 CG TYR A 58 1.678 5.959 7.862 1.00 0.64 C ATOM 877 CD1 TYR A 58 0.826 5.188 8.672 1.00 0.76 C ATOM 878 CD2 TYR A 58 1.359 7.307 7.598 1.00 0.83 C ATOM 879 CE1 TYR A 58 -0.284 5.787 9.294 1.00 1.06 C ATOM 880 CE2 TYR A 58 0.222 7.897 8.172 1.00 1.11 C ATOM 881 CZ TYR A 58 -0.596 7.141 9.044 1.00 1.23 C ATOM 882 OH TYR A 58 -1.684 7.710 9.634 1.00 1.54 O ATOM 0 H TYR A 58 5.311 5.618 7.721 1.00 0.46 H new ATOM 0 HA TYR A 58 3.234 4.308 9.124 1.00 0.48 H new ATOM 0 HB2 TYR A 58 3.629 6.197 7.048 1.00 0.53 H new ATOM 0 HB3 TYR A 58 2.698 4.900 6.325 1.00 0.53 H new ATOM 0 HD1 TYR A 58 1.024 4.136 8.817 1.00 0.76 H new ATOM 0 HD2 TYR A 58 1.995 7.890 6.949 1.00 0.83 H new ATOM 0 HE1 TYR A 58 -0.901 5.209 9.966 1.00 1.06 H new ATOM 0 HE2 TYR A 58 -0.027 8.924 7.949 1.00 1.11 H new ATOM 0 HH TYR A 58 -1.754 8.647 9.356 1.00 1.54 H new ATOM 892 N GLY A 59 4.581 2.634 6.630 1.00 0.35 N ATOM 893 CA GLY A 59 4.693 1.322 6.023 1.00 0.36 C ATOM 894 C GLY A 59 5.024 0.237 7.040 1.00 0.31 C ATOM 895 O GLY A 59 5.035 -0.931 6.677 1.00 0.39 O ATOM 0 H GLY A 59 5.287 3.296 6.307 1.00 0.35 H new ATOM 0 HA2 GLY A 59 3.756 1.075 5.524 1.00 0.36 H new ATOM 0 HA3 GLY A 59 5.467 1.345 5.255 1.00 0.36 H new ATOM 899 N ARG A 60 5.294 0.590 8.298 1.00 0.31 N ATOM 900 CA ARG A 60 5.674 -0.344 9.345 1.00 0.35 C ATOM 901 C ARG A 60 4.721 -0.307 10.533 1.00 0.35 C ATOM 902 O ARG A 60 4.968 -0.990 11.525 1.00 0.37 O ATOM 903 CB ARG A 60 7.082 0.024 9.797 1.00 0.39 C ATOM 904 CG ARG A 60 7.783 -1.113 10.563 1.00 0.49 C ATOM 905 CD ARG A 60 8.002 -0.717 12.029 1.00 1.21 C ATOM 906 NE ARG A 60 8.443 -1.853 12.856 1.00 1.28 N ATOM 907 CZ ARG A 60 7.652 -2.605 13.637 1.00 2.68 C ATOM 908 NH1 ARG A 60 6.328 -2.460 13.612 1.00 4.36 N ATOM 909 NH2 ARG A 60 8.194 -3.508 14.456 1.00 2.71 N ATOM 0 H ARG A 60 5.252 1.557 8.619 1.00 0.31 H new ATOM 0 HA ARG A 60 5.633 -1.358 8.947 1.00 0.35 H new ATOM 0 HB2 ARG A 60 7.680 0.290 8.925 1.00 0.39 H new ATOM 0 HB3 ARG A 60 7.034 0.908 10.433 1.00 0.39 H new ATOM 0 HG2 ARG A 60 7.181 -2.020 10.511 1.00 0.49 H new ATOM 0 HG3 ARG A 60 8.741 -1.339 10.094 1.00 0.49 H new ATOM 0 HD2 ARG A 60 8.746 0.078 12.081 1.00 1.21 H new ATOM 0 HD3 ARG A 60 7.075 -0.313 12.436 1.00 1.21 H new ATOM 0 HE ARG A 60 9.435 -2.089 12.833 1.00 1.28 H new ATOM 0 HH11 ARG A 60 5.902 -1.770 12.993 1.00 4.36 H new ATOM 0 HH12 ARG A 60 5.740 -3.039 14.212 1.00 4.36 H new ATOM 0 HH21 ARG A 60 9.207 -3.625 14.487 1.00 2.71 H new ATOM 0 HH22 ARG A 60 7.596 -4.081 15.051 1.00 2.71 H new ATOM 923 N THR A 61 3.684 0.522 10.479 1.00 0.45 N ATOM 924 CA THR A 61 2.649 0.560 11.510 1.00 0.45 C ATOM 925 C THR A 61 1.756 -0.679 11.363 1.00 0.50 C ATOM 926 O THR A 61 2.265 -1.798 11.360 1.00 0.88 O ATOM 927 CB THR A 61 1.887 1.893 11.453 1.00 0.51 C ATOM 928 OG1 THR A 61 1.350 2.087 10.186 1.00 0.93 O ATOM 929 CG2 THR A 61 2.769 3.084 11.796 1.00 0.74 C ATOM 0 H THR A 61 3.536 1.187 9.720 1.00 0.45 H new ATOM 0 HA THR A 61 3.088 0.520 12.507 1.00 0.45 H new ATOM 0 HB THR A 61 1.095 1.830 12.199 1.00 0.51 H new ATOM 0 HG1 THR A 61 0.450 2.467 10.267 1.00 0.93 H new ATOM 0 HG21 THR A 61 2.181 4.000 11.741 1.00 0.74 H new ATOM 0 HG22 THR A 61 3.163 2.966 12.805 1.00 0.74 H new ATOM 0 HG23 THR A 61 3.596 3.140 11.088 1.00 0.74 H new ATOM 937 N ASN A 62 0.431 -0.547 11.279 1.00 0.52 N ATOM 938 CA ASN A 62 -0.384 -1.738 11.062 1.00 0.52 C ATOM 939 C ASN A 62 -0.237 -2.178 9.603 1.00 0.47 C ATOM 940 O ASN A 62 -0.058 -1.352 8.713 1.00 0.47 O ATOM 941 CB ASN A 62 -1.854 -1.489 11.450 1.00 0.64 C ATOM 942 CG ASN A 62 -2.157 -2.038 12.839 1.00 0.81 C ATOM 943 OD1 ASN A 62 -1.349 -1.921 13.750 1.00 1.45 O ATOM 944 ND2 ASN A 62 -3.314 -2.659 13.028 1.00 1.68 N ATOM 0 H ASN A 62 -0.081 0.332 11.354 1.00 0.52 H new ATOM 0 HA ASN A 62 -0.034 -2.544 11.707 1.00 0.52 H new ATOM 0 HB2 ASN A 62 -2.064 -0.420 11.425 1.00 0.64 H new ATOM 0 HB3 ASN A 62 -2.511 -1.960 10.719 1.00 0.64 H new ATOM 0 HD21 ASN A 62 -3.541 -3.047 13.943 1.00 1.68 H new ATOM 0 HD22 ASN A 62 -3.977 -2.748 12.258 1.00 1.68 H new ATOM 951 N GLU A 63 -0.375 -3.479 9.333 1.00 0.49 N ATOM 952 CA GLU A 63 -0.267 -4.033 7.981 1.00 0.51 C ATOM 953 C GLU A 63 -1.361 -3.467 7.059 1.00 0.60 C ATOM 954 O GLU A 63 -1.202 -3.398 5.841 1.00 0.73 O ATOM 955 CB GLU A 63 -0.284 -5.566 8.083 1.00 0.59 C ATOM 956 CG GLU A 63 0.023 -6.281 6.754 1.00 0.89 C ATOM 957 CD GLU A 63 0.681 -7.665 6.935 1.00 2.14 C ATOM 958 OE1 GLU A 63 0.836 -8.093 8.099 1.00 3.34 O ATOM 959 OE2 GLU A 63 1.092 -8.268 5.912 1.00 3.04 O ATOM 0 H GLU A 63 -0.565 -4.180 10.049 1.00 0.49 H new ATOM 0 HA GLU A 63 0.675 -3.735 7.520 1.00 0.51 H new ATOM 0 HB2 GLU A 63 0.445 -5.879 8.830 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -1.263 -5.886 8.439 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -0.904 -6.399 6.192 1.00 0.89 H new ATOM 0 HG3 GLU A 63 0.681 -5.651 6.155 1.00 0.89 H new ATOM 966 N ALA A 64 -2.470 -3.018 7.649 1.00 0.59 N ATOM 967 CA ALA A 64 -3.543 -2.327 6.952 1.00 0.67 C ATOM 968 C ALA A 64 -3.106 -0.954 6.438 1.00 0.59 C ATOM 969 O ALA A 64 -3.595 -0.473 5.417 1.00 0.59 O ATOM 970 CB ALA A 64 -4.727 -2.192 7.907 1.00 0.77 C ATOM 0 H ALA A 64 -2.646 -3.130 8.647 1.00 0.59 H new ATOM 0 HA ALA A 64 -3.826 -2.910 6.075 1.00 0.67 H new ATOM 0 HB1 ALA A 64 -5.544 -1.676 7.403 1.00 0.77 H new ATOM 0 HB2 ALA A 64 -5.060 -3.183 8.216 1.00 0.77 H new ATOM 0 HB3 ALA A 64 -4.423 -1.621 8.784 1.00 0.77 H new ATOM 976 N GLU A 65 -2.229 -0.277 7.173 1.00 0.56 N ATOM 977 CA GLU A 65 -1.707 1.015 6.760 1.00 0.51 C ATOM 978 C GLU A 65 -0.681 0.785 5.670 1.00 0.46 C ATOM 979 O GLU A 65 -0.831 1.336 4.593 1.00 0.68 O ATOM 980 CB GLU A 65 -1.129 1.795 7.937 1.00 0.54 C ATOM 981 CG GLU A 65 -2.021 1.612 9.161 1.00 0.78 C ATOM 982 CD GLU A 65 -2.017 2.838 10.054 1.00 1.05 C ATOM 983 OE1 GLU A 65 -2.837 3.736 9.766 1.00 1.68 O ATOM 984 OE2 GLU A 65 -1.181 2.864 10.986 1.00 2.07 O ATOM 0 H GLU A 65 -1.864 -0.609 8.066 1.00 0.56 H new ATOM 0 HA GLU A 65 -2.517 1.631 6.370 1.00 0.51 H new ATOM 0 HB2 GLU A 65 -0.119 1.448 8.155 1.00 0.54 H new ATOM 0 HB3 GLU A 65 -1.055 2.853 7.684 1.00 0.54 H new ATOM 0 HG2 GLU A 65 -3.041 1.401 8.839 1.00 0.78 H new ATOM 0 HG3 GLU A 65 -1.682 0.747 9.731 1.00 0.78 H new ATOM 991 N PHE A 66 0.268 -0.125 5.890 1.00 0.31 N ATOM 992 CA PHE A 66 1.202 -0.589 4.870 1.00 0.30 C ATOM 993 C PHE A 66 0.516 -0.774 3.507 1.00 0.31 C ATOM 994 O PHE A 66 0.970 -0.239 2.495 1.00 0.28 O ATOM 995 CB PHE A 66 1.847 -1.874 5.391 1.00 0.32 C ATOM 996 CG PHE A 66 2.628 -2.648 4.362 1.00 0.30 C ATOM 997 CD1 PHE A 66 3.915 -2.228 4.000 1.00 0.27 C ATOM 998 CD2 PHE A 66 2.083 -3.810 3.788 1.00 0.35 C ATOM 999 CE1 PHE A 66 4.642 -2.930 3.033 1.00 0.28 C ATOM 1000 CE2 PHE A 66 2.834 -4.549 2.861 1.00 0.37 C ATOM 1001 CZ PHE A 66 4.120 -4.110 2.493 1.00 0.33 C ATOM 0 H PHE A 66 0.410 -0.567 6.798 1.00 0.31 H new ATOM 0 HA PHE A 66 1.975 0.158 4.692 1.00 0.30 H new ATOM 0 HB2 PHE A 66 2.511 -1.622 6.217 1.00 0.32 H new ATOM 0 HB3 PHE A 66 1.066 -2.518 5.795 1.00 0.32 H new ATOM 0 HD1 PHE A 66 4.348 -1.357 4.470 1.00 0.27 H new ATOM 0 HD2 PHE A 66 1.089 -4.133 4.060 1.00 0.35 H new ATOM 0 HE1 PHE A 66 5.603 -2.562 2.704 1.00 0.28 H new ATOM 0 HE2 PHE A 66 2.427 -5.452 2.431 1.00 0.37 H new ATOM 0 HZ PHE A 66 4.705 -4.686 1.792 1.00 0.33 H new ATOM 1011 N PHE A 67 -0.600 -1.507 3.473 1.00 0.36 N ATOM 1012 CA PHE A 67 -1.399 -1.665 2.263 1.00 0.34 C ATOM 1013 C PHE A 67 -1.936 -0.317 1.750 1.00 0.32 C ATOM 1014 O PHE A 67 -1.922 -0.059 0.549 1.00 0.33 O ATOM 1015 CB PHE A 67 -2.542 -2.646 2.557 1.00 0.39 C ATOM 1016 CG PHE A 67 -3.507 -2.853 1.406 1.00 0.37 C ATOM 1017 CD1 PHE A 67 -4.637 -2.024 1.281 1.00 0.35 C ATOM 1018 CD2 PHE A 67 -3.285 -3.880 0.469 1.00 0.44 C ATOM 1019 CE1 PHE A 67 -5.536 -2.213 0.217 1.00 0.38 C ATOM 1020 CE2 PHE A 67 -4.200 -4.085 -0.580 1.00 0.47 C ATOM 1021 CZ PHE A 67 -5.322 -3.249 -0.709 1.00 0.43 C ATOM 0 H PHE A 67 -0.971 -2.005 4.282 1.00 0.36 H new ATOM 0 HA PHE A 67 -0.768 -2.064 1.468 1.00 0.34 H new ATOM 0 HB2 PHE A 67 -2.114 -3.610 2.833 1.00 0.39 H new ATOM 0 HB3 PHE A 67 -3.100 -2.285 3.421 1.00 0.39 H new ATOM 0 HD1 PHE A 67 -4.814 -1.241 2.004 1.00 0.35 H new ATOM 0 HD2 PHE A 67 -2.412 -4.510 0.555 1.00 0.44 H new ATOM 0 HE1 PHE A 67 -6.391 -1.562 0.111 1.00 0.38 H new ATOM 0 HE2 PHE A 67 -4.040 -4.886 -1.287 1.00 0.47 H new ATOM 0 HZ PHE A 67 -6.020 -3.402 -1.519 1.00 0.43 H new ATOM 1031 N ALA A 68 -2.445 0.540 2.636 1.00 0.32 N ATOM 1032 CA ALA A 68 -3.027 1.829 2.299 1.00 0.31 C ATOM 1033 C ALA A 68 -2.011 2.775 1.645 1.00 0.31 C ATOM 1034 O ALA A 68 -2.282 3.315 0.570 1.00 0.33 O ATOM 1035 CB ALA A 68 -3.630 2.429 3.570 1.00 0.33 C ATOM 0 H ALA A 68 -2.462 0.345 3.637 1.00 0.32 H new ATOM 0 HA ALA A 68 -3.809 1.686 1.554 1.00 0.31 H new ATOM 0 HB1 ALA A 68 -4.073 3.398 3.340 1.00 0.33 H new ATOM 0 HB2 ALA A 68 -4.399 1.761 3.958 1.00 0.33 H new ATOM 0 HB3 ALA A 68 -2.848 2.556 4.319 1.00 0.33 H new ATOM 1041 N GLU A 69 -0.838 2.994 2.252 1.00 0.33 N ATOM 1042 CA GLU A 69 0.222 3.753 1.599 1.00 0.35 C ATOM 1043 C GLU A 69 0.581 3.105 0.278 1.00 0.34 C ATOM 1044 O GLU A 69 0.774 3.810 -0.702 1.00 0.35 O ATOM 1045 CB GLU A 69 1.533 3.844 2.389 1.00 0.65 C ATOM 1046 CG GLU A 69 1.407 4.523 3.747 1.00 1.30 C ATOM 1047 CD GLU A 69 1.203 3.509 4.865 1.00 2.98 C ATOM 1048 OE1 GLU A 69 2.034 2.583 4.941 1.00 3.80 O ATOM 1049 OE2 GLU A 69 0.268 3.729 5.663 1.00 4.46 O ATOM 0 H GLU A 69 -0.605 2.657 3.186 1.00 0.33 H new ATOM 0 HA GLU A 69 -0.190 4.757 1.496 1.00 0.35 H new ATOM 0 HB2 GLU A 69 1.925 2.837 2.535 1.00 0.65 H new ATOM 0 HB3 GLU A 69 2.265 4.387 1.792 1.00 0.65 H new ATOM 0 HG2 GLU A 69 2.304 5.109 3.946 1.00 1.30 H new ATOM 0 HG3 GLU A 69 0.569 5.220 3.730 1.00 1.30 H new ATOM 1056 N ALA A 70 0.704 1.778 0.238 1.00 0.34 N ATOM 1057 CA ALA A 70 1.056 1.106 -0.999 1.00 0.36 C ATOM 1058 C ALA A 70 0.040 1.439 -2.096 1.00 0.36 C ATOM 1059 O ALA A 70 0.429 1.596 -3.247 1.00 0.50 O ATOM 1060 CB ALA A 70 1.200 -0.395 -0.762 1.00 0.38 C ATOM 0 H ALA A 70 0.566 1.161 1.038 1.00 0.34 H new ATOM 0 HA ALA A 70 2.024 1.467 -1.347 1.00 0.36 H new ATOM 0 HB1 ALA A 70 1.464 -0.887 -1.698 1.00 0.38 H new ATOM 0 HB2 ALA A 70 1.983 -0.573 -0.025 1.00 0.38 H new ATOM 0 HB3 ALA A 70 0.256 -0.797 -0.394 1.00 0.38 H new ATOM 1066 N PHE A 71 -1.238 1.608 -1.751 1.00 0.29 N ATOM 1067 CA PHE A 71 -2.265 2.131 -2.648 1.00 0.30 C ATOM 1068 C PHE A 71 -1.924 3.550 -3.122 1.00 0.29 C ATOM 1069 O PHE A 71 -1.882 3.806 -4.327 1.00 0.32 O ATOM 1070 CB PHE A 71 -3.641 2.083 -1.965 1.00 0.35 C ATOM 1071 CG PHE A 71 -4.717 1.456 -2.825 1.00 0.87 C ATOM 1072 CD1 PHE A 71 -4.916 0.064 -2.781 1.00 2.36 C ATOM 1073 CD2 PHE A 71 -5.514 2.251 -3.670 1.00 1.30 C ATOM 1074 CE1 PHE A 71 -5.908 -0.533 -3.579 1.00 2.99 C ATOM 1075 CE2 PHE A 71 -6.507 1.653 -4.467 1.00 1.74 C ATOM 1076 CZ PHE A 71 -6.703 0.262 -4.423 1.00 2.34 C ATOM 0 H PHE A 71 -1.593 1.380 -0.822 1.00 0.29 H new ATOM 0 HA PHE A 71 -2.301 1.498 -3.535 1.00 0.30 H new ATOM 0 HB2 PHE A 71 -3.557 1.522 -1.034 1.00 0.35 H new ATOM 0 HB3 PHE A 71 -3.943 3.096 -1.700 1.00 0.35 H new ATOM 0 HD1 PHE A 71 -4.306 -0.547 -2.133 1.00 2.36 H new ATOM 0 HD2 PHE A 71 -5.363 3.320 -3.706 1.00 1.30 H new ATOM 0 HE1 PHE A 71 -6.059 -1.602 -3.544 1.00 2.99 H new ATOM 0 HE2 PHE A 71 -7.120 2.264 -5.114 1.00 1.74 H new ATOM 0 HZ PHE A 71 -7.464 -0.196 -5.037 1.00 2.34 H new ATOM 1086 N ARG A 72 -1.701 4.493 -2.198 1.00 0.28 N ATOM 1087 CA ARG A 72 -1.339 5.873 -2.539 1.00 0.29 C ATOM 1088 C ARG A 72 -0.193 5.889 -3.561 1.00 0.30 C ATOM 1089 O ARG A 72 -0.276 6.546 -4.597 1.00 0.36 O ATOM 1090 CB ARG A 72 -0.988 6.659 -1.262 1.00 0.31 C ATOM 1091 CG ARG A 72 -0.292 7.978 -1.615 1.00 0.42 C ATOM 1092 CD ARG A 72 -0.167 8.932 -0.421 1.00 0.71 C ATOM 1093 NE ARG A 72 1.210 9.351 -0.105 1.00 0.79 N ATOM 1094 CZ ARG A 72 2.205 9.764 -0.907 1.00 1.91 C ATOM 1095 NH1 ARG A 72 2.072 9.816 -2.228 1.00 3.89 N ATOM 1096 NH2 ARG A 72 3.357 10.144 -0.370 1.00 1.89 N ATOM 0 H ARG A 72 -1.766 4.320 -1.195 1.00 0.28 H new ATOM 0 HA ARG A 72 -2.193 6.366 -3.004 1.00 0.29 H new ATOM 0 HB2 ARG A 72 -1.895 6.861 -0.692 1.00 0.31 H new ATOM 0 HB3 ARG A 72 -0.339 6.058 -0.625 1.00 0.31 H new ATOM 0 HG2 ARG A 72 0.702 7.763 -2.006 1.00 0.42 H new ATOM 0 HG3 ARG A 72 -0.848 8.473 -2.411 1.00 0.42 H new ATOM 0 HD2 ARG A 72 -0.765 9.821 -0.620 1.00 0.71 H new ATOM 0 HD3 ARG A 72 -0.596 8.450 0.458 1.00 0.71 H new ATOM 0 HE ARG A 72 1.447 9.323 0.887 1.00 0.79 H new ATOM 0 HH11 ARG A 72 1.193 9.537 -2.663 1.00 3.89 H new ATOM 0 HH12 ARG A 72 2.849 10.135 -2.807 1.00 3.89 H new ATOM 0 HH21 ARG A 72 3.480 10.121 0.642 1.00 1.89 H new ATOM 0 HH22 ARG A 72 4.120 10.459 -0.969 1.00 1.89 H new ATOM 1110 N LEU A 73 0.892 5.201 -3.231 1.00 0.27 N ATOM 1111 CA LEU A 73 2.158 5.200 -3.935 1.00 0.24 C ATOM 1112 C LEU A 73 1.991 4.512 -5.287 1.00 0.30 C ATOM 1113 O LEU A 73 2.388 5.071 -6.298 1.00 0.52 O ATOM 1114 CB LEU A 73 3.217 4.502 -3.082 1.00 0.24 C ATOM 1115 CG LEU A 73 3.745 5.244 -1.827 1.00 0.23 C ATOM 1116 CD1 LEU A 73 5.176 5.762 -2.013 1.00 0.31 C ATOM 1117 CD2 LEU A 73 2.911 6.435 -1.360 1.00 0.25 C ATOM 0 H LEU A 73 0.908 4.592 -2.413 1.00 0.27 H new ATOM 0 HA LEU A 73 2.486 6.224 -4.114 1.00 0.24 H new ATOM 0 HB2 LEU A 73 2.807 3.546 -2.757 1.00 0.24 H new ATOM 0 HB3 LEU A 73 4.070 4.281 -3.723 1.00 0.24 H new ATOM 0 HG LEU A 73 3.688 4.466 -1.066 1.00 0.23 H new ATOM 0 HD11 LEU A 73 5.498 6.274 -1.106 1.00 0.31 H new ATOM 0 HD12 LEU A 73 5.843 4.924 -2.214 1.00 0.31 H new ATOM 0 HD13 LEU A 73 5.205 6.457 -2.852 1.00 0.31 H new ATOM 0 HD21 LEU A 73 3.372 6.878 -0.477 1.00 0.25 H new ATOM 0 HD22 LEU A 73 2.862 7.179 -2.155 1.00 0.25 H new ATOM 0 HD23 LEU A 73 1.903 6.100 -1.114 1.00 0.25 H new ATOM 1129 N MET A 74 1.390 3.323 -5.357 1.00 0.46 N ATOM 1130 CA MET A 74 1.243 2.623 -6.631 1.00 0.59 C ATOM 1131 C MET A 74 0.371 3.405 -7.614 1.00 0.36 C ATOM 1132 O MET A 74 0.528 3.249 -8.825 1.00 0.37 O ATOM 1133 CB MET A 74 0.739 1.181 -6.453 1.00 1.13 C ATOM 1134 CG MET A 74 -0.714 1.065 -5.974 1.00 1.41 C ATOM 1135 SD MET A 74 -1.877 0.243 -7.100 1.00 1.80 S ATOM 1136 CE MET A 74 -1.978 1.390 -8.492 1.00 2.67 C ATOM 0 H MET A 74 1.001 2.829 -4.554 1.00 0.46 H new ATOM 0 HA MET A 74 2.242 2.557 -7.063 1.00 0.59 H new ATOM 0 HB2 MET A 74 0.837 0.656 -7.403 1.00 1.13 H new ATOM 0 HB3 MET A 74 1.385 0.670 -5.739 1.00 1.13 H new ATOM 0 HG2 MET A 74 -0.719 0.526 -5.026 1.00 1.41 H new ATOM 0 HG3 MET A 74 -1.087 2.069 -5.772 1.00 1.41 H new ATOM 0 HE1 MET A 74 -2.787 1.086 -9.156 1.00 2.67 H new ATOM 0 HE2 MET A 74 -2.173 2.396 -8.121 1.00 2.67 H new ATOM 0 HE3 MET A 74 -1.036 1.381 -9.040 1.00 2.67 H new ATOM 1146 N HIS A 75 -0.548 4.248 -7.128 1.00 0.45 N ATOM 1147 CA HIS A 75 -1.344 5.081 -8.024 1.00 0.60 C ATOM 1148 C HIS A 75 -0.688 6.436 -8.267 1.00 0.63 C ATOM 1149 O HIS A 75 -1.211 7.183 -9.092 1.00 1.01 O ATOM 1150 CB HIS A 75 -2.792 5.253 -7.526 1.00 0.83 C ATOM 1151 CG HIS A 75 -3.015 6.440 -6.618 1.00 0.65 C ATOM 1152 ND1 HIS A 75 -2.853 7.774 -6.961 1.00 0.68 N ATOM 1153 CD2 HIS A 75 -3.339 6.374 -5.297 1.00 0.81 C ATOM 1154 CE1 HIS A 75 -2.991 8.503 -5.838 1.00 0.84 C ATOM 1155 NE2 HIS A 75 -3.312 7.673 -4.829 1.00 0.91 N ATOM 0 H HIS A 75 -0.754 4.368 -6.136 1.00 0.45 H new ATOM 0 HA HIS A 75 -1.388 4.555 -8.977 1.00 0.60 H new ATOM 0 HB2 HIS A 75 -3.449 5.346 -8.390 1.00 0.83 H new ATOM 0 HB3 HIS A 75 -3.089 4.348 -6.996 1.00 0.83 H new ATOM 0 HD1 HIS A 75 -2.664 8.137 -7.895 1.00 0.68 H new ATOM 0 HD2 HIS A 75 -3.570 5.485 -4.730 1.00 0.81 H new ATOM 0 HE1 HIS A 75 -2.865 9.573 -5.760 1.00 0.84 H new ATOM 1164 N SER A 76 0.316 6.828 -7.471 1.00 0.50 N ATOM 1165 CA SER A 76 0.855 8.171 -7.449 1.00 0.56 C ATOM 1166 C SER A 76 1.080 8.626 -8.879 1.00 0.64 C ATOM 1167 O SER A 76 1.699 7.955 -9.702 1.00 0.74 O ATOM 1168 CB SER A 76 2.093 8.272 -6.550 1.00 0.59 C ATOM 1169 OG SER A 76 3.191 7.617 -7.109 1.00 2.17 O ATOM 0 H SER A 76 0.778 6.198 -6.815 1.00 0.50 H new ATOM 0 HA SER A 76 0.142 8.859 -6.995 1.00 0.56 H new ATOM 0 HB2 SER A 76 2.339 9.321 -6.386 1.00 0.59 H new ATOM 0 HB3 SER A 76 1.870 7.841 -5.574 1.00 0.59 H new ATOM 0 HG SER A 76 3.171 6.670 -6.856 1.00 2.17 H new ATOM 1175 N THR A 77 0.455 9.750 -9.181 1.00 0.76 N ATOM 1176 CA THR A 77 0.497 10.384 -10.484 1.00 0.94 C ATOM 1177 C THR A 77 1.946 10.566 -10.905 1.00 0.88 C ATOM 1178 O THR A 77 2.310 10.341 -12.059 1.00 0.92 O ATOM 1179 CB THR A 77 -0.242 11.719 -10.387 1.00 1.17 C ATOM 1180 OG1 THR A 77 -0.049 12.279 -9.099 1.00 1.21 O ATOM 1181 CG2 THR A 77 -1.740 11.489 -10.582 1.00 1.36 C ATOM 0 H THR A 77 -0.113 10.261 -8.505 1.00 0.76 H new ATOM 0 HA THR A 77 0.010 9.770 -11.241 1.00 0.94 H new ATOM 0 HB THR A 77 0.144 12.391 -11.154 1.00 1.17 H new ATOM 0 HG1 THR A 77 -0.522 13.135 -9.040 1.00 1.21 H new ATOM 0 HG21 THR A 77 -2.266 12.441 -10.513 1.00 1.36 H new ATOM 0 HG22 THR A 77 -1.916 11.048 -11.563 1.00 1.36 H new ATOM 0 HG23 THR A 77 -2.108 10.814 -9.809 1.00 1.36 H new ATOM 1189 N ASP A 78 2.792 10.936 -9.946 1.00 0.83 N ATOM 1190 CA ASP A 78 4.213 10.874 -10.194 1.00 0.76 C ATOM 1191 C ASP A 78 4.670 9.423 -10.320 1.00 0.61 C ATOM 1192 O ASP A 78 4.894 8.716 -9.341 1.00 0.50 O ATOM 1193 CB ASP A 78 5.023 11.593 -9.127 1.00 0.83 C ATOM 1194 CG ASP A 78 6.494 11.361 -9.453 1.00 0.87 C ATOM 1195 OD1 ASP A 78 6.816 11.257 -10.670 1.00 2.03 O ATOM 1196 OD2 ASP A 78 7.256 11.169 -8.487 1.00 1.64 O ATOM 0 H ASP A 78 2.521 11.271 -9.021 1.00 0.83 H new ATOM 0 HA ASP A 78 4.394 11.392 -11.136 1.00 0.76 H new ATOM 0 HB2 ASP A 78 4.793 12.658 -9.120 1.00 0.83 H new ATOM 0 HB3 ASP A 78 4.782 11.209 -8.136 1.00 0.83 H new ATOM 1201 N HIS A 79 4.921 9.021 -11.562 1.00 0.61 N ATOM 1202 CA HIS A 79 5.587 7.773 -11.894 1.00 0.50 C ATOM 1203 C HIS A 79 6.745 7.433 -10.951 1.00 0.44 C ATOM 1204 O HIS A 79 6.920 6.269 -10.610 1.00 0.41 O ATOM 1205 CB HIS A 79 6.066 7.830 -13.345 1.00 0.58 C ATOM 1206 CG HIS A 79 7.261 8.731 -13.557 1.00 1.98 C ATOM 1207 ND1 HIS A 79 7.383 10.063 -13.180 1.00 3.28 N ATOM 1208 CD2 HIS A 79 8.454 8.327 -14.091 1.00 3.25 C ATOM 1209 CE1 HIS A 79 8.618 10.464 -13.535 1.00 4.52 C ATOM 1210 NE2 HIS A 79 9.288 9.428 -14.081 1.00 4.52 N ATOM 0 H HIS A 79 4.660 9.569 -12.382 1.00 0.61 H new ATOM 0 HA HIS A 79 4.860 6.971 -11.769 1.00 0.50 H new ATOM 0 HB2 HIS A 79 6.319 6.822 -13.674 1.00 0.58 H new ATOM 0 HB3 HIS A 79 5.246 8.175 -13.975 1.00 0.58 H new ATOM 0 HD1 HIS A 79 6.671 10.630 -12.721 1.00 3.28 H new ATOM 0 HD2 HIS A 79 8.697 7.338 -14.451 1.00 3.25 H new ATOM 0 HE1 HIS A 79 9.012 11.461 -13.403 1.00 4.52 H new ATOM 1219 N ALA A 80 7.565 8.405 -10.553 1.00 0.51 N ATOM 1220 CA ALA A 80 8.721 8.106 -9.731 1.00 0.55 C ATOM 1221 C ALA A 80 8.281 7.583 -8.374 1.00 0.53 C ATOM 1222 O ALA A 80 8.802 6.563 -7.936 1.00 0.54 O ATOM 1223 CB ALA A 80 9.610 9.323 -9.541 1.00 0.64 C ATOM 0 H ALA A 80 7.447 9.391 -10.786 1.00 0.51 H new ATOM 0 HA ALA A 80 9.299 7.342 -10.251 1.00 0.55 H new ATOM 0 HB1 ALA A 80 10.465 9.056 -8.919 1.00 0.64 H new ATOM 0 HB2 ALA A 80 9.962 9.671 -10.512 1.00 0.64 H new ATOM 0 HB3 ALA A 80 9.042 10.116 -9.055 1.00 0.64 H new ATOM 1229 N GLU A 81 7.337 8.249 -7.700 1.00 0.55 N ATOM 1230 CA GLU A 81 6.798 7.761 -6.441 1.00 0.53 C ATOM 1231 C GLU A 81 6.367 6.305 -6.561 1.00 0.46 C ATOM 1232 O GLU A 81 6.604 5.505 -5.655 1.00 0.49 O ATOM 1233 CB GLU A 81 5.659 8.645 -5.919 1.00 0.57 C ATOM 1234 CG GLU A 81 6.061 9.663 -4.841 1.00 0.83 C ATOM 1235 CD GLU A 81 4.853 10.053 -3.970 1.00 1.76 C ATOM 1236 OE1 GLU A 81 3.742 10.245 -4.514 1.00 2.71 O ATOM 1237 OE2 GLU A 81 4.982 10.116 -2.724 1.00 2.88 O ATOM 0 H GLU A 81 6.933 9.132 -8.014 1.00 0.55 H new ATOM 0 HA GLU A 81 7.598 7.814 -5.703 1.00 0.53 H new ATOM 0 HB2 GLU A 81 5.224 9.184 -6.761 1.00 0.57 H new ATOM 0 HB3 GLU A 81 4.878 8.002 -5.515 1.00 0.57 H new ATOM 0 HG2 GLU A 81 6.846 9.241 -4.213 1.00 0.83 H new ATOM 0 HG3 GLU A 81 6.475 10.554 -5.314 1.00 0.83 H new ATOM 1244 N ARG A 82 5.794 5.928 -7.703 1.00 0.39 N ATOM 1245 CA ARG A 82 5.411 4.535 -7.878 1.00 0.31 C ATOM 1246 C ARG A 82 6.648 3.658 -7.862 1.00 0.34 C ATOM 1247 O ARG A 82 6.704 2.679 -7.127 1.00 0.35 O ATOM 1248 CB ARG A 82 4.700 4.305 -9.203 1.00 0.27 C ATOM 1249 CG ARG A 82 3.418 5.109 -9.257 1.00 0.35 C ATOM 1250 CD ARG A 82 3.012 5.359 -10.702 1.00 0.41 C ATOM 1251 NE ARG A 82 1.744 4.697 -11.022 1.00 0.50 N ATOM 1252 CZ ARG A 82 0.957 4.952 -12.068 1.00 1.32 C ATOM 1253 NH1 ARG A 82 1.270 5.925 -12.924 1.00 2.44 N ATOM 1254 NH2 ARG A 82 -0.138 4.216 -12.254 1.00 1.43 N ATOM 0 H ARG A 82 5.592 6.543 -8.491 1.00 0.39 H new ATOM 0 HA ARG A 82 4.736 4.283 -7.060 1.00 0.31 H new ATOM 0 HB2 ARG A 82 5.352 4.591 -10.028 1.00 0.27 H new ATOM 0 HB3 ARG A 82 4.478 3.245 -9.325 1.00 0.27 H new ATOM 0 HG2 ARG A 82 2.623 4.575 -8.736 1.00 0.35 H new ATOM 0 HG3 ARG A 82 3.555 6.059 -8.741 1.00 0.35 H new ATOM 0 HD2 ARG A 82 2.919 6.431 -10.875 1.00 0.41 H new ATOM 0 HD3 ARG A 82 3.793 4.995 -11.369 1.00 0.41 H new ATOM 0 HE ARG A 82 1.432 3.968 -10.380 1.00 0.50 H new ATOM 0 HH11 ARG A 82 2.115 6.478 -12.780 1.00 2.44 H new ATOM 0 HH12 ARG A 82 0.665 6.116 -13.722 1.00 2.44 H new ATOM 0 HH21 ARG A 82 -0.366 3.467 -11.600 1.00 1.43 H new ATOM 0 HH22 ARG A 82 -0.748 4.401 -13.050 1.00 1.43 H new ATOM 1268 N LEU A 83 7.639 3.985 -8.694 1.00 0.37 N ATOM 1269 CA LEU A 83 8.881 3.235 -8.748 1.00 0.42 C ATOM 1270 C LEU A 83 9.614 3.237 -7.415 1.00 0.45 C ATOM 1271 O LEU A 83 10.373 2.306 -7.179 1.00 0.49 O ATOM 1272 CB LEU A 83 9.811 3.705 -9.875 1.00 0.50 C ATOM 1273 CG LEU A 83 9.476 3.154 -11.271 1.00 0.52 C ATOM 1274 CD1 LEU A 83 9.002 1.699 -11.268 1.00 0.51 C ATOM 1275 CD2 LEU A 83 8.422 3.993 -11.990 1.00 0.50 C ATOM 0 H LEU A 83 7.598 4.772 -9.342 1.00 0.37 H new ATOM 0 HA LEU A 83 8.592 2.208 -8.971 1.00 0.42 H new ATOM 0 HB2 LEU A 83 9.785 4.794 -9.916 1.00 0.50 H new ATOM 0 HB3 LEU A 83 10.833 3.419 -9.624 1.00 0.50 H new ATOM 0 HG LEU A 83 10.425 3.206 -11.804 1.00 0.52 H new ATOM 0 HD11 LEU A 83 8.786 1.385 -12.289 1.00 0.51 H new ATOM 0 HD12 LEU A 83 9.782 1.063 -10.850 1.00 0.51 H new ATOM 0 HD13 LEU A 83 8.100 1.612 -10.663 1.00 0.51 H new ATOM 0 HD21 LEU A 83 8.221 3.562 -12.971 1.00 0.50 H new ATOM 0 HD22 LEU A 83 7.503 4.004 -11.403 1.00 0.50 H new ATOM 0 HD23 LEU A 83 8.788 5.013 -12.110 1.00 0.50 H new ATOM 1287 N LYS A 84 9.405 4.208 -6.520 1.00 0.47 N ATOM 1288 CA LYS A 84 9.990 4.084 -5.189 1.00 0.52 C ATOM 1289 C LYS A 84 9.421 2.842 -4.517 1.00 0.43 C ATOM 1290 O LYS A 84 10.185 2.080 -3.940 1.00 0.49 O ATOM 1291 CB LYS A 84 9.782 5.333 -4.317 1.00 0.60 C ATOM 1292 CG LYS A 84 10.903 6.374 -4.461 1.00 0.77 C ATOM 1293 CD LYS A 84 10.719 7.311 -5.660 1.00 0.81 C ATOM 1294 CE LYS A 84 11.757 8.441 -5.694 1.00 0.87 C ATOM 1295 NZ LYS A 84 11.622 9.376 -4.553 1.00 1.30 N ATOM 0 H LYS A 84 8.858 5.053 -6.685 1.00 0.47 H new ATOM 0 HA LYS A 84 11.070 3.987 -5.303 1.00 0.52 H new ATOM 0 HB2 LYS A 84 8.831 5.796 -4.580 1.00 0.60 H new ATOM 0 HB3 LYS A 84 9.711 5.030 -3.273 1.00 0.60 H new ATOM 0 HG2 LYS A 84 10.954 6.969 -3.549 1.00 0.77 H new ATOM 0 HG3 LYS A 84 11.858 5.857 -4.558 1.00 0.77 H new ATOM 0 HD2 LYS A 84 10.787 6.733 -6.581 1.00 0.81 H new ATOM 0 HD3 LYS A 84 9.719 7.743 -5.628 1.00 0.81 H new ATOM 0 HE2 LYS A 84 12.758 8.010 -5.688 1.00 0.87 H new ATOM 0 HE3 LYS A 84 11.654 8.995 -6.627 1.00 0.87 H new ATOM 0 HZ1 LYS A 84 12.215 10.214 -4.719 1.00 1.30 H new ATOM 0 HZ2 LYS A 84 10.628 9.668 -4.459 1.00 1.30 H new ATOM 0 HZ3 LYS A 84 11.928 8.903 -3.679 1.00 1.30 H new ATOM 1309 N VAL A 85 8.112 2.601 -4.610 1.00 0.33 N ATOM 1310 CA VAL A 85 7.555 1.335 -4.147 1.00 0.26 C ATOM 1311 C VAL A 85 8.142 0.189 -4.956 1.00 0.25 C ATOM 1312 O VAL A 85 8.791 -0.677 -4.391 1.00 0.40 O ATOM 1313 CB VAL A 85 6.017 1.351 -4.165 1.00 0.35 C ATOM 1314 CG1 VAL A 85 5.383 -0.018 -3.895 1.00 0.50 C ATOM 1315 CG2 VAL A 85 5.583 2.282 -3.048 1.00 0.55 C ATOM 0 H VAL A 85 7.430 3.255 -4.995 1.00 0.33 H new ATOM 0 HA VAL A 85 7.836 1.184 -3.105 1.00 0.26 H new ATOM 0 HB VAL A 85 5.694 1.663 -5.158 1.00 0.35 H new ATOM 0 HG11 VAL A 85 4.297 0.072 -3.924 1.00 0.50 H new ATOM 0 HG12 VAL A 85 5.709 -0.726 -4.657 1.00 0.50 H new ATOM 0 HG13 VAL A 85 5.692 -0.375 -2.912 1.00 0.50 H new ATOM 0 HG21 VAL A 85 4.495 2.330 -3.017 1.00 0.55 H new ATOM 0 HG22 VAL A 85 5.957 1.907 -2.096 1.00 0.55 H new ATOM 0 HG23 VAL A 85 5.985 3.279 -3.229 1.00 0.55 H new ATOM 1325 N GLN A 86 7.927 0.148 -6.266 1.00 0.28 N ATOM 1326 CA GLN A 86 8.237 -1.034 -7.062 1.00 0.37 C ATOM 1327 C GLN A 86 9.690 -1.492 -6.915 1.00 0.44 C ATOM 1328 O GLN A 86 9.966 -2.683 -7.051 1.00 0.83 O ATOM 1329 CB GLN A 86 7.899 -0.750 -8.539 1.00 0.50 C ATOM 1330 CG GLN A 86 6.900 -1.751 -9.126 1.00 0.65 C ATOM 1331 CD GLN A 86 7.537 -2.771 -10.061 1.00 1.18 C ATOM 1332 OE1 GLN A 86 7.156 -2.882 -11.218 1.00 1.67 O ATOM 1333 NE2 GLN A 86 8.504 -3.546 -9.584 1.00 2.67 N ATOM 0 H GLN A 86 7.537 0.924 -6.802 1.00 0.28 H new ATOM 0 HA GLN A 86 7.626 -1.856 -6.688 1.00 0.37 H new ATOM 0 HB2 GLN A 86 7.490 0.257 -8.626 1.00 0.50 H new ATOM 0 HB3 GLN A 86 8.816 -0.773 -9.127 1.00 0.50 H new ATOM 0 HG2 GLN A 86 6.405 -2.278 -8.310 1.00 0.65 H new ATOM 0 HG3 GLN A 86 6.128 -1.205 -9.669 1.00 0.65 H new ATOM 0 HE21 GLN A 86 8.811 -3.442 -8.617 1.00 2.67 H new ATOM 0 HE22 GLN A 86 8.940 -4.246 -10.185 1.00 2.67 H new ATOM 1342 N LYS A 87 10.603 -0.550 -6.671 1.00 0.38 N ATOM 1343 CA LYS A 87 12.000 -0.790 -6.361 1.00 0.48 C ATOM 1344 C LYS A 87 12.138 -1.270 -4.918 1.00 0.51 C ATOM 1345 O LYS A 87 12.656 -2.355 -4.679 1.00 0.64 O ATOM 1346 CB LYS A 87 12.759 0.524 -6.588 1.00 0.66 C ATOM 1347 CG LYS A 87 14.205 0.431 -6.109 1.00 0.83 C ATOM 1348 CD LYS A 87 14.965 1.716 -6.431 1.00 0.91 C ATOM 1349 CE LYS A 87 16.138 1.790 -5.455 1.00 2.32 C ATOM 1350 NZ LYS A 87 17.256 2.600 -5.981 1.00 2.17 N ATOM 0 H LYS A 87 10.371 0.443 -6.687 1.00 0.38 H new ATOM 0 HA LYS A 87 12.415 -1.568 -7.002 1.00 0.48 H new ATOM 0 HB2 LYS A 87 12.742 0.775 -7.649 1.00 0.66 H new ATOM 0 HB3 LYS A 87 12.252 1.333 -6.061 1.00 0.66 H new ATOM 0 HG2 LYS A 87 14.226 0.250 -5.034 1.00 0.83 H new ATOM 0 HG3 LYS A 87 14.697 -0.417 -6.585 1.00 0.83 H new ATOM 0 HD2 LYS A 87 15.319 1.708 -7.462 1.00 0.91 H new ATOM 0 HD3 LYS A 87 14.317 2.586 -6.324 1.00 0.91 H new ATOM 0 HE2 LYS A 87 15.796 2.216 -4.512 1.00 2.32 H new ATOM 0 HE3 LYS A 87 16.493 0.782 -5.240 1.00 2.32 H new ATOM 0 HZ1 LYS A 87 18.028 2.621 -5.284 1.00 2.17 H new ATOM 0 HZ2 LYS A 87 17.602 2.180 -6.868 1.00 2.17 H new ATOM 0 HZ3 LYS A 87 16.927 3.570 -6.162 1.00 2.17 H new ATOM 1364 N ASN A 88 11.708 -0.456 -3.953 1.00 0.49 N ATOM 1365 CA ASN A 88 11.910 -0.708 -2.527 1.00 0.54 C ATOM 1366 C ASN A 88 10.946 -1.773 -1.992 1.00 0.71 C ATOM 1367 O ASN A 88 10.868 -1.967 -0.783 1.00 1.25 O ATOM 1368 CB ASN A 88 11.706 0.581 -1.711 1.00 0.56 C ATOM 1369 CG ASN A 88 12.662 1.724 -2.045 1.00 0.55 C ATOM 1370 OD1 ASN A 88 13.401 1.703 -3.028 1.00 0.88 O ATOM 1371 ND2 ASN A 88 12.666 2.758 -1.215 1.00 0.98 N ATOM 0 H ASN A 88 11.202 0.409 -4.144 1.00 0.49 H new ATOM 0 HA ASN A 88 12.934 -1.066 -2.418 1.00 0.54 H new ATOM 0 HB2 ASN A 88 10.684 0.929 -1.862 1.00 0.56 H new ATOM 0 HB3 ASN A 88 11.808 0.341 -0.653 1.00 0.56 H new ATOM 0 HD21 ASN A 88 13.287 3.549 -1.388 1.00 0.98 H new ATOM 0 HD22 ASN A 88 12.048 2.763 -0.403 1.00 0.98 H new ATOM 1378 N ALA A 89 10.170 -2.414 -2.867 1.00 0.38 N ATOM 1379 CA ALA A 89 9.163 -3.396 -2.538 1.00 0.36 C ATOM 1380 C ALA A 89 8.827 -4.193 -3.800 1.00 0.41 C ATOM 1381 O ALA A 89 7.752 -4.006 -4.381 1.00 0.41 O ATOM 1382 CB ALA A 89 7.917 -2.667 -2.048 1.00 0.35 C ATOM 0 H ALA A 89 10.238 -2.247 -3.871 1.00 0.38 H new ATOM 0 HA ALA A 89 9.523 -4.072 -1.762 1.00 0.36 H new ATOM 0 HB1 ALA A 89 7.146 -3.394 -1.795 1.00 0.35 H new ATOM 0 HB2 ALA A 89 8.164 -2.078 -1.165 1.00 0.35 H new ATOM 0 HB3 ALA A 89 7.549 -2.007 -2.833 1.00 0.35 H new ATOM 1388 N PRO A 90 9.718 -5.090 -4.240 1.00 0.63 N ATOM 1389 CA PRO A 90 9.599 -5.807 -5.507 1.00 0.84 C ATOM 1390 C PRO A 90 8.660 -7.020 -5.383 1.00 1.05 C ATOM 1391 O PRO A 90 9.010 -8.133 -5.765 1.00 2.04 O ATOM 1392 CB PRO A 90 11.046 -6.199 -5.835 1.00 1.07 C ATOM 1393 CG PRO A 90 11.656 -6.445 -4.454 1.00 1.03 C ATOM 1394 CD PRO A 90 11.002 -5.353 -3.610 1.00 0.80 C ATOM 0 HA PRO A 90 9.151 -5.209 -6.301 1.00 0.84 H new ATOM 0 HB2 PRO A 90 11.091 -7.090 -6.461 1.00 1.07 H new ATOM 0 HB3 PRO A 90 11.567 -5.406 -6.371 1.00 1.07 H new ATOM 0 HG2 PRO A 90 11.425 -7.442 -4.079 1.00 1.03 H new ATOM 0 HG3 PRO A 90 12.742 -6.353 -4.467 1.00 1.03 H new ATOM 0 HD2 PRO A 90 10.873 -5.679 -2.578 1.00 0.80 H new ATOM 0 HD3 PRO A 90 11.618 -4.454 -3.585 1.00 0.80 H new ATOM 1402 N LYS A 91 7.465 -6.807 -4.824 1.00 0.48 N ATOM 1403 CA LYS A 91 6.465 -7.810 -4.486 1.00 0.51 C ATOM 1404 C LYS A 91 5.200 -7.116 -3.981 1.00 0.47 C ATOM 1405 O LYS A 91 4.120 -7.369 -4.500 1.00 0.54 O ATOM 1406 CB LYS A 91 7.040 -8.811 -3.477 1.00 0.56 C ATOM 1407 CG LYS A 91 7.747 -8.157 -2.277 1.00 1.12 C ATOM 1408 CD LYS A 91 8.893 -9.034 -1.763 1.00 1.29 C ATOM 1409 CE LYS A 91 8.649 -9.461 -0.314 1.00 1.96 C ATOM 1410 NZ LYS A 91 9.854 -10.082 0.267 1.00 2.42 N ATOM 0 H LYS A 91 7.156 -5.866 -4.582 1.00 0.48 H new ATOM 0 HA LYS A 91 6.191 -8.384 -5.371 1.00 0.51 H new ATOM 0 HB2 LYS A 91 6.233 -9.444 -3.109 1.00 0.56 H new ATOM 0 HB3 LYS A 91 7.747 -9.463 -3.990 1.00 0.56 H new ATOM 0 HG2 LYS A 91 8.135 -7.181 -2.568 1.00 1.12 H new ATOM 0 HG3 LYS A 91 7.028 -7.988 -1.476 1.00 1.12 H new ATOM 0 HD2 LYS A 91 8.991 -9.917 -2.394 1.00 1.29 H new ATOM 0 HD3 LYS A 91 9.833 -8.487 -1.831 1.00 1.29 H new ATOM 0 HE2 LYS A 91 8.361 -8.594 0.280 1.00 1.96 H new ATOM 0 HE3 LYS A 91 7.818 -10.165 -0.274 1.00 1.96 H new ATOM 0 HZ1 LYS A 91 9.580 -10.695 1.061 1.00 2.42 H new ATOM 0 HZ2 LYS A 91 10.336 -10.650 -0.459 1.00 2.42 H new ATOM 0 HZ3 LYS A 91 10.497 -9.339 0.609 1.00 2.42 H new ATOM 1424 N THR A 92 5.311 -6.187 -3.028 1.00 0.40 N ATOM 1425 CA THR A 92 4.168 -5.421 -2.533 1.00 0.38 C ATOM 1426 C THR A 92 3.409 -4.755 -3.672 1.00 0.41 C ATOM 1427 O THR A 92 2.183 -4.759 -3.691 1.00 0.41 O ATOM 1428 CB THR A 92 4.651 -4.359 -1.547 1.00 0.31 C ATOM 1429 OG1 THR A 92 5.653 -4.938 -0.744 1.00 0.33 O ATOM 1430 CG2 THR A 92 3.538 -3.839 -0.637 1.00 0.34 C ATOM 0 H THR A 92 6.195 -5.946 -2.579 1.00 0.40 H new ATOM 0 HA THR A 92 3.489 -6.111 -2.033 1.00 0.38 H new ATOM 0 HB THR A 92 5.020 -3.510 -2.123 1.00 0.31 H new ATOM 0 HG1 THR A 92 5.315 -5.053 0.169 1.00 0.33 H new ATOM 0 HG21 THR A 92 3.943 -3.088 0.041 1.00 0.34 H new ATOM 0 HG22 THR A 92 2.750 -3.393 -1.244 1.00 0.34 H new ATOM 0 HG23 THR A 92 3.126 -4.665 -0.058 1.00 0.34 H new ATOM 1438 N PHE A 93 4.126 -4.188 -4.644 1.00 0.44 N ATOM 1439 CA PHE A 93 3.459 -3.589 -5.788 1.00 0.50 C ATOM 1440 C PHE A 93 2.597 -4.596 -6.496 1.00 0.52 C ATOM 1441 O PHE A 93 1.418 -4.356 -6.733 1.00 0.53 O ATOM 1442 CB PHE A 93 4.479 -3.050 -6.775 1.00 0.57 C ATOM 1443 CG PHE A 93 3.877 -2.143 -7.833 1.00 0.80 C ATOM 1444 CD1 PHE A 93 3.324 -2.695 -9.005 1.00 2.13 C ATOM 1445 CD2 PHE A 93 3.883 -0.748 -7.653 1.00 1.30 C ATOM 1446 CE1 PHE A 93 2.771 -1.856 -9.986 1.00 2.36 C ATOM 1447 CE2 PHE A 93 3.343 0.091 -8.643 1.00 1.36 C ATOM 1448 CZ PHE A 93 2.781 -0.463 -9.806 1.00 1.36 C ATOM 0 H PHE A 93 5.144 -4.134 -4.659 1.00 0.44 H new ATOM 0 HA PHE A 93 2.836 -2.776 -5.415 1.00 0.50 H new ATOM 0 HB2 PHE A 93 5.245 -2.500 -6.229 1.00 0.57 H new ATOM 0 HB3 PHE A 93 4.976 -3.887 -7.265 1.00 0.57 H new ATOM 0 HD1 PHE A 93 3.325 -3.765 -9.149 1.00 2.13 H new ATOM 0 HD2 PHE A 93 4.303 -0.321 -6.754 1.00 1.30 H new ATOM 0 HE1 PHE A 93 2.338 -2.282 -10.879 1.00 2.36 H new ATOM 0 HE2 PHE A 93 3.360 1.163 -8.510 1.00 1.36 H new ATOM 0 HZ PHE A 93 2.357 0.182 -10.561 1.00 1.36 H new ATOM 1458 N GLN A 94 3.209 -5.726 -6.832 1.00 0.54 N ATOM 1459 CA GLN A 94 2.496 -6.800 -7.482 1.00 0.57 C ATOM 1460 C GLN A 94 1.249 -7.171 -6.669 1.00 0.53 C ATOM 1461 O GLN A 94 0.228 -7.535 -7.242 1.00 0.55 O ATOM 1462 CB GLN A 94 3.430 -7.998 -7.708 1.00 0.63 C ATOM 1463 CG GLN A 94 2.638 -9.233 -8.140 1.00 1.28 C ATOM 1464 CD GLN A 94 3.560 -10.397 -8.488 1.00 1.26 C ATOM 1465 OE1 GLN A 94 3.984 -11.146 -7.619 1.00 1.89 O ATOM 1466 NE2 GLN A 94 3.892 -10.571 -9.761 1.00 1.44 N ATOM 0 H GLN A 94 4.197 -5.914 -6.662 1.00 0.54 H new ATOM 0 HA GLN A 94 2.155 -6.472 -8.464 1.00 0.57 H new ATOM 0 HB2 GLN A 94 4.169 -7.750 -8.470 1.00 0.63 H new ATOM 0 HB3 GLN A 94 3.978 -8.215 -6.791 1.00 0.63 H new ATOM 0 HG2 GLN A 94 1.961 -9.531 -7.339 1.00 1.28 H new ATOM 0 HG3 GLN A 94 2.020 -8.986 -9.004 1.00 1.28 H new ATOM 0 HE21 GLN A 94 3.530 -9.938 -10.474 1.00 1.44 H new ATOM 0 HE22 GLN A 94 4.509 -11.338 -10.027 1.00 1.44 H new ATOM 1475 N PHE A 95 1.328 -7.074 -5.341 1.00 0.53 N ATOM 1476 CA PHE A 95 0.248 -7.459 -4.452 1.00 0.55 C ATOM 1477 C PHE A 95 -0.990 -6.607 -4.719 1.00 0.55 C ATOM 1478 O PHE A 95 -2.053 -7.134 -5.022 1.00 0.62 O ATOM 1479 CB PHE A 95 0.714 -7.353 -2.998 1.00 0.59 C ATOM 1480 CG PHE A 95 -0.117 -8.171 -2.044 1.00 0.71 C ATOM 1481 CD1 PHE A 95 -1.426 -7.768 -1.728 1.00 0.76 C ATOM 1482 CD2 PHE A 95 0.426 -9.333 -1.471 1.00 0.90 C ATOM 1483 CE1 PHE A 95 -2.196 -8.532 -0.835 1.00 0.89 C ATOM 1484 CE2 PHE A 95 -0.338 -10.089 -0.568 1.00 1.05 C ATOM 1485 CZ PHE A 95 -1.646 -9.688 -0.252 1.00 1.01 C ATOM 0 H PHE A 95 2.153 -6.722 -4.855 1.00 0.53 H new ATOM 0 HA PHE A 95 -0.028 -8.496 -4.641 1.00 0.55 H new ATOM 0 HB2 PHE A 95 1.753 -7.676 -2.932 1.00 0.59 H new ATOM 0 HB3 PHE A 95 0.685 -6.308 -2.690 1.00 0.59 H new ATOM 0 HD1 PHE A 95 -1.839 -6.873 -2.170 1.00 0.76 H new ATOM 0 HD2 PHE A 95 1.429 -9.644 -1.725 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -3.206 -8.233 -0.597 1.00 0.89 H new ATOM 0 HE2 PHE A 95 0.079 -10.977 -0.117 1.00 1.05 H new ATOM 0 HZ PHE A 95 -2.233 -10.270 0.443 1.00 1.01 H new ATOM 1495 N ILE A 96 -0.890 -5.283 -4.606 1.00 0.52 N ATOM 1496 CA ILE A 96 -2.033 -4.438 -4.919 1.00 0.59 C ATOM 1497 C ILE A 96 -2.398 -4.591 -6.397 1.00 0.59 C ATOM 1498 O ILE A 96 -3.576 -4.532 -6.736 1.00 0.66 O ATOM 1499 CB ILE A 96 -1.779 -2.974 -4.524 1.00 0.60 C ATOM 1500 CG1 ILE A 96 -1.706 -2.800 -2.996 1.00 0.80 C ATOM 1501 CG2 ILE A 96 -2.949 -2.095 -4.956 1.00 0.75 C ATOM 1502 CD1 ILE A 96 -0.310 -3.008 -2.434 1.00 0.89 C ATOM 0 H ILE A 96 -0.051 -4.786 -4.308 1.00 0.52 H new ATOM 0 HA ILE A 96 -2.888 -4.764 -4.326 1.00 0.59 H new ATOM 0 HB ILE A 96 -0.841 -2.695 -5.004 1.00 0.60 H new ATOM 0 HG12 ILE A 96 -2.050 -1.799 -2.734 1.00 0.80 H new ATOM 0 HG13 ILE A 96 -2.389 -3.506 -2.524 1.00 0.80 H new ATOM 0 HG21 ILE A 96 -2.753 -1.062 -4.669 1.00 0.75 H new ATOM 0 HG22 ILE A 96 -3.069 -2.155 -6.038 1.00 0.75 H new ATOM 0 HG23 ILE A 96 -3.862 -2.440 -4.470 1.00 0.75 H new ATOM 0 HD11 ILE A 96 -0.329 -2.871 -1.353 1.00 0.89 H new ATOM 0 HD12 ILE A 96 0.029 -4.018 -2.666 1.00 0.89 H new ATOM 0 HD13 ILE A 96 0.373 -2.285 -2.880 1.00 0.89 H new ATOM 1514 N ASN A 97 -1.422 -4.799 -7.282 1.00 0.59 N ATOM 1515 CA ASN A 97 -1.669 -4.927 -8.713 1.00 0.63 C ATOM 1516 C ASN A 97 -2.586 -6.123 -9.004 1.00 0.64 C ATOM 1517 O ASN A 97 -3.369 -6.078 -9.948 1.00 0.71 O ATOM 1518 CB ASN A 97 -0.336 -5.032 -9.472 1.00 0.67 C ATOM 1519 CG ASN A 97 -0.428 -4.653 -10.947 1.00 0.87 C ATOM 1520 OD1 ASN A 97 0.310 -3.791 -11.405 1.00 1.71 O ATOM 1521 ND2 ASN A 97 -1.293 -5.279 -11.733 1.00 1.64 N ATOM 0 H ASN A 97 -0.439 -4.883 -7.024 1.00 0.59 H new ATOM 0 HA ASN A 97 -2.185 -4.033 -9.064 1.00 0.63 H new ATOM 0 HB2 ASN A 97 0.398 -4.388 -8.987 1.00 0.67 H new ATOM 0 HB3 ASN A 97 0.035 -6.054 -9.393 1.00 0.67 H new ATOM 0 HD21 ASN A 97 -1.345 -5.043 -12.724 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -1.906 -5.997 -11.347 1.00 1.64 H new ATOM 1528 N ASP A 98 -2.491 -7.193 -8.211 1.00 0.61 N ATOM 1529 CA ASP A 98 -3.392 -8.346 -8.261 1.00 0.65 C ATOM 1530 C ASP A 98 -4.825 -7.900 -7.995 1.00 0.64 C ATOM 1531 O ASP A 98 -5.774 -8.386 -8.602 1.00 0.78 O ATOM 1532 CB ASP A 98 -2.966 -9.341 -7.173 1.00 0.70 C ATOM 1533 CG ASP A 98 -3.768 -10.636 -7.126 1.00 1.54 C ATOM 1534 OD1 ASP A 98 -3.951 -11.260 -8.188 1.00 1.83 O ATOM 1535 OD2 ASP A 98 -4.138 -11.023 -5.986 1.00 2.98 O ATOM 0 H ASP A 98 -1.767 -7.283 -7.498 1.00 0.61 H new ATOM 0 HA ASP A 98 -3.341 -8.810 -9.246 1.00 0.65 H new ATOM 0 HB2 ASP A 98 -1.915 -9.589 -7.322 1.00 0.70 H new ATOM 0 HB3 ASP A 98 -3.044 -8.849 -6.203 1.00 0.70 H new ATOM 1540 N GLN A 99 -4.983 -7.001 -7.025 1.00 0.60 N ATOM 1541 CA GLN A 99 -6.280 -6.671 -6.474 1.00 0.70 C ATOM 1542 C GLN A 99 -7.021 -5.621 -7.311 1.00 0.78 C ATOM 1543 O GLN A 99 -8.236 -5.716 -7.484 1.00 1.88 O ATOM 1544 CB GLN A 99 -6.107 -6.187 -5.027 1.00 0.83 C ATOM 1545 CG GLN A 99 -5.515 -7.274 -4.117 1.00 1.31 C ATOM 1546 CD GLN A 99 -6.462 -8.464 -3.980 1.00 1.81 C ATOM 1547 OE1 GLN A 99 -7.502 -8.364 -3.343 1.00 2.24 O ATOM 1548 NE2 GLN A 99 -6.148 -9.608 -4.574 1.00 2.94 N ATOM 0 H GLN A 99 -4.210 -6.485 -6.604 1.00 0.60 H new ATOM 0 HA GLN A 99 -6.893 -7.572 -6.493 1.00 0.70 H new ATOM 0 HB2 GLN A 99 -5.458 -5.312 -5.014 1.00 0.83 H new ATOM 0 HB3 GLN A 99 -7.074 -5.873 -4.633 1.00 0.83 H new ATOM 0 HG2 GLN A 99 -4.561 -7.611 -4.524 1.00 1.31 H new ATOM 0 HG3 GLN A 99 -5.311 -6.854 -3.132 1.00 1.31 H new ATOM 0 HE21 GLN A 99 -5.280 -9.686 -5.104 1.00 2.94 H new ATOM 0 HE22 GLN A 99 -6.775 -10.409 -4.501 1.00 2.94 H new ATOM 1557 N ILE A 100 -6.332 -4.576 -7.780 1.00 1.60 N ATOM 1558 CA ILE A 100 -6.964 -3.426 -8.422 1.00 1.75 C ATOM 1559 C ILE A 100 -7.305 -3.748 -9.882 1.00 1.98 C ATOM 1560 O ILE A 100 -6.660 -3.286 -10.819 1.00 3.60 O ATOM 1561 CB ILE A 100 -6.101 -2.159 -8.217 1.00 3.81 C ATOM 1562 CG1 ILE A 100 -6.885 -0.909 -8.655 1.00 4.69 C ATOM 1563 CG2 ILE A 100 -4.723 -2.211 -8.897 1.00 5.02 C ATOM 1564 CD1 ILE A 100 -6.145 0.393 -8.330 1.00 6.07 C ATOM 0 H ILE A 100 -5.316 -4.507 -7.723 1.00 1.60 H new ATOM 0 HA ILE A 100 -7.921 -3.204 -7.949 1.00 1.75 H new ATOM 0 HB ILE A 100 -5.888 -2.108 -7.149 1.00 3.81 H new ATOM 0 HG12 ILE A 100 -7.072 -0.959 -9.728 1.00 4.69 H new ATOM 0 HG13 ILE A 100 -7.857 -0.903 -8.162 1.00 4.69 H new ATOM 0 HG21 ILE A 100 -4.186 -1.283 -8.702 1.00 5.02 H new ATOM 0 HG22 ILE A 100 -4.153 -3.051 -8.500 1.00 5.02 H new ATOM 0 HG23 ILE A 100 -4.852 -2.336 -9.972 1.00 5.02 H new ATOM 0 HD11 ILE A 100 -6.742 1.243 -8.660 1.00 6.07 H new ATOM 0 HD12 ILE A 100 -5.982 0.460 -7.254 1.00 6.07 H new ATOM 0 HD13 ILE A 100 -5.184 0.403 -8.844 1.00 6.07 H new ATOM 1576 N LYS A 101 -8.357 -4.543 -10.091 1.00 2.32 N ATOM 1577 CA LYS A 101 -8.703 -5.069 -11.405 1.00 4.18 C ATOM 1578 C LYS A 101 -10.214 -4.978 -11.605 1.00 4.37 C ATOM 1579 O LYS A 101 -10.926 -5.958 -11.417 1.00 5.27 O ATOM 1580 CB LYS A 101 -8.122 -6.490 -11.541 1.00 5.82 C ATOM 1581 CG LYS A 101 -8.656 -7.508 -10.511 1.00 6.25 C ATOM 1582 CD LYS A 101 -9.669 -8.499 -11.103 1.00 7.53 C ATOM 1583 CE LYS A 101 -10.888 -8.589 -10.180 1.00 7.92 C ATOM 1584 NZ LYS A 101 -11.980 -9.366 -10.800 1.00 8.97 N ATOM 0 H LYS A 101 -8.992 -4.838 -9.349 1.00 2.32 H new ATOM 0 HA LYS A 101 -8.262 -4.479 -12.208 1.00 4.18 H new ATOM 0 HB2 LYS A 101 -8.337 -6.861 -12.543 1.00 5.82 H new ATOM 0 HB3 LYS A 101 -7.037 -6.435 -11.448 1.00 5.82 H new ATOM 0 HG2 LYS A 101 -7.817 -8.064 -10.092 1.00 6.25 H new ATOM 0 HG3 LYS A 101 -9.125 -6.969 -9.688 1.00 6.25 H new ATOM 0 HD2 LYS A 101 -9.975 -8.174 -12.097 1.00 7.53 H new ATOM 0 HD3 LYS A 101 -9.211 -9.481 -11.216 1.00 7.53 H new ATOM 0 HE2 LYS A 101 -10.599 -9.054 -9.238 1.00 7.92 H new ATOM 0 HE3 LYS A 101 -11.242 -7.585 -9.945 1.00 7.92 H new ATOM 0 HZ1 LYS A 101 -12.790 -9.407 -10.149 1.00 8.97 H new ATOM 0 HZ2 LYS A 101 -12.272 -8.908 -11.687 1.00 8.97 H new ATOM 0 HZ3 LYS A 101 -11.648 -10.331 -11.002 1.00 8.97 H new ATOM 1598 N PHE A 102 -10.699 -3.785 -11.969 1.00 4.38 N ATOM 1599 CA PHE A 102 -12.121 -3.452 -12.054 1.00 4.62 C ATOM 1600 C PHE A 102 -12.908 -3.997 -10.860 1.00 4.55 C ATOM 1601 O PHE A 102 -13.607 -5.004 -10.959 1.00 4.84 O ATOM 1602 CB PHE A 102 -12.719 -3.905 -13.393 1.00 5.47 C ATOM 1603 CG PHE A 102 -12.400 -2.975 -14.543 1.00 5.91 C ATOM 1604 CD1 PHE A 102 -13.172 -1.813 -14.728 1.00 6.08 C ATOM 1605 CD2 PHE A 102 -11.345 -3.262 -15.428 1.00 6.86 C ATOM 1606 CE1 PHE A 102 -12.897 -0.944 -15.798 1.00 7.08 C ATOM 1607 CE2 PHE A 102 -11.071 -2.393 -16.500 1.00 7.72 C ATOM 1608 CZ PHE A 102 -11.848 -1.235 -16.685 1.00 7.79 C ATOM 0 H PHE A 102 -10.093 -3.004 -12.219 1.00 4.38 H new ATOM 0 HA PHE A 102 -12.205 -2.366 -12.012 1.00 4.62 H new ATOM 0 HB2 PHE A 102 -12.347 -4.902 -13.629 1.00 5.47 H new ATOM 0 HB3 PHE A 102 -13.801 -3.984 -13.290 1.00 5.47 H new ATOM 0 HD1 PHE A 102 -13.978 -1.588 -14.046 1.00 6.08 H new ATOM 0 HD2 PHE A 102 -10.746 -4.149 -15.285 1.00 6.86 H new ATOM 0 HE1 PHE A 102 -13.492 -0.053 -15.938 1.00 7.08 H new ATOM 0 HE2 PHE A 102 -10.263 -2.615 -17.182 1.00 7.72 H new ATOM 0 HZ PHE A 102 -11.638 -0.570 -17.509 1.00 7.79 H new ATOM 1618 N ILE A 103 -12.834 -3.289 -9.733 1.00 4.41 N ATOM 1619 CA ILE A 103 -13.554 -3.656 -8.524 1.00 4.51 C ATOM 1620 C ILE A 103 -14.463 -2.486 -8.142 1.00 4.16 C ATOM 1621 O ILE A 103 -14.212 -1.737 -7.205 1.00 3.99 O ATOM 1622 CB ILE A 103 -12.570 -4.197 -7.470 1.00 5.07 C ATOM 1623 CG1 ILE A 103 -13.269 -4.909 -6.300 1.00 5.38 C ATOM 1624 CG2 ILE A 103 -11.638 -3.112 -6.941 1.00 5.10 C ATOM 1625 CD1 ILE A 103 -13.934 -6.221 -6.734 1.00 6.72 C ATOM 0 H ILE A 103 -12.271 -2.444 -9.637 1.00 4.41 H new ATOM 0 HA ILE A 103 -14.236 -4.497 -8.654 1.00 4.51 H new ATOM 0 HB ILE A 103 -11.971 -4.941 -7.995 1.00 5.07 H new ATOM 0 HG12 ILE A 103 -12.541 -5.115 -5.515 1.00 5.38 H new ATOM 0 HG13 ILE A 103 -14.021 -4.247 -5.871 1.00 5.38 H new ATOM 0 HG21 ILE A 103 -10.963 -3.541 -6.201 1.00 5.10 H new ATOM 0 HG22 ILE A 103 -11.057 -2.698 -7.765 1.00 5.10 H new ATOM 0 HG23 ILE A 103 -12.227 -2.320 -6.479 1.00 5.10 H new ATOM 0 HD11 ILE A 103 -14.414 -6.687 -5.874 1.00 6.72 H new ATOM 0 HD12 ILE A 103 -14.682 -6.014 -7.499 1.00 6.72 H new ATOM 0 HD13 ILE A 103 -13.179 -6.895 -7.138 1.00 6.72 H new ATOM 1637 N ILE A 104 -15.525 -2.308 -8.929 1.00 4.55 N ATOM 1638 CA ILE A 104 -16.520 -1.264 -8.738 1.00 4.43 C ATOM 1639 C ILE A 104 -17.906 -1.903 -8.777 1.00 5.43 C ATOM 1640 O ILE A 104 -18.034 -3.099 -9.029 1.00 6.61 O ATOM 1641 CB ILE A 104 -16.369 -0.143 -9.788 1.00 5.03 C ATOM 1642 CG1 ILE A 104 -16.495 -0.663 -11.233 1.00 6.76 C ATOM 1643 CG2 ILE A 104 -15.031 0.584 -9.595 1.00 5.26 C ATOM 1644 CD1 ILE A 104 -16.953 0.444 -12.188 1.00 7.59 C ATOM 0 H ILE A 104 -15.717 -2.903 -9.735 1.00 4.55 H new ATOM 0 HA ILE A 104 -16.374 -0.789 -7.768 1.00 4.43 H new ATOM 0 HB ILE A 104 -17.190 0.557 -9.632 1.00 5.03 H new ATOM 0 HG12 ILE A 104 -15.534 -1.057 -11.564 1.00 6.76 H new ATOM 0 HG13 ILE A 104 -17.206 -1.489 -11.263 1.00 6.76 H new ATOM 0 HG21 ILE A 104 -14.935 1.373 -10.341 1.00 5.26 H new ATOM 0 HG22 ILE A 104 -14.995 1.022 -8.597 1.00 5.26 H new ATOM 0 HG23 ILE A 104 -14.212 -0.126 -9.709 1.00 5.26 H new ATOM 0 HD11 ILE A 104 -17.032 0.043 -13.199 1.00 7.59 H new ATOM 0 HD12 ILE A 104 -17.926 0.820 -11.870 1.00 7.59 H new ATOM 0 HD13 ILE A 104 -16.228 1.258 -12.176 1.00 7.59 H new ATOM 1656 N ASN A 105 -18.940 -1.107 -8.522 1.00 5.52 N ATOM 1657 CA ASN A 105 -20.334 -1.519 -8.557 1.00 7.04 C ATOM 1658 C ASN A 105 -21.162 -0.317 -9.009 1.00 7.42 C ATOM 1659 O ASN A 105 -20.604 0.759 -9.234 1.00 6.73 O ATOM 1660 CB ASN A 105 -20.771 -2.042 -7.180 1.00 7.64 C ATOM 1661 CG ASN A 105 -20.513 -1.040 -6.062 1.00 7.69 C ATOM 1662 OD1 ASN A 105 -21.309 -0.148 -5.814 1.00 7.92 O ATOM 1663 ND2 ASN A 105 -19.390 -1.168 -5.367 1.00 8.27 N ATOM 0 H ASN A 105 -18.823 -0.124 -8.277 1.00 5.52 H new ATOM 0 HA ASN A 105 -20.483 -2.339 -9.259 1.00 7.04 H new ATOM 0 HB2 ASN A 105 -21.834 -2.283 -7.208 1.00 7.64 H new ATOM 0 HB3 ASN A 105 -20.239 -2.968 -6.962 1.00 7.64 H new ATOM 0 HD21 ASN A 105 -19.180 -0.515 -4.612 1.00 8.27 H new ATOM 0 HD22 ASN A 105 -18.736 -1.919 -5.588 1.00 8.27 H new ATOM 1670 N SER A 106 -22.464 -0.512 -9.187 1.00 8.96 N ATOM 1671 CA SER A 106 -23.382 0.472 -9.730 1.00 9.80 C ATOM 1672 C SER A 106 -24.769 0.209 -9.156 1.00 10.91 C ATOM 1673 O SER A 106 -25.641 1.073 -9.388 1.00 11.31 O ATOM 1674 CB SER A 106 -23.394 0.375 -11.259 1.00 10.66 C ATOM 1675 OG SER A 106 -23.295 -0.972 -11.694 1.00 11.66 O ATOM 1676 OXT SER A 106 -24.925 -0.851 -8.507 1.00 11.62 O ATOM 0 H SER A 106 -22.921 -1.392 -8.948 1.00 8.96 H new ATOM 0 HA SER A 106 -23.067 1.479 -9.458 1.00 9.80 H new ATOM 0 HB2 SER A 106 -24.312 0.817 -11.646 1.00 10.66 H new ATOM 0 HB3 SER A 106 -22.565 0.953 -11.668 1.00 10.66 H new ATOM 0 HG SER A 106 -23.307 -1.001 -12.673 1.00 11.66 H new TER 1682 SER A 106